Mercurial > repos > galaxyp > openms_rtmodel
comparison macros_autotest.xml @ 12:0fc4aa40badb draft default tip
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3
author | galaxyp |
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date | Thu, 01 Dec 2022 19:13:44 +0000 |
parents | 2d9d6a94e286 |
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11:2d9d6a94e286 | 12:0fc4aa40badb |
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1 <?xml version='1.0' encoding='UTF-8'?> | |
2 <macros> | |
3 <xml name="autotest_AccurateMassSearch"> | |
4 <test expect_num_outputs="2"> | |
5 <conditional name="adv_opts_cond"> | |
6 <param name="adv_opts_selector" value="advanced"/> | |
7 <param name="force" value="false"/> | |
8 <param name="test" value="true"/> | |
9 </conditional> | |
10 <param name="in" value="ConsensusMapNormalizer_input.consensusXML"/> | |
11 <output name="out" file="AccurateMassSearch_1_output.tmp.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
12 <param name="positive_adducts" value="CHEMISTRY/PositiveAdducts.tsv" ftype="tabular"/> | |
13 <param name="negative_adducts" value="CHEMISTRY/NegativeAdducts.tsv" ftype="tabular"/> | |
14 <section name="db"> | |
15 <param name="mapping" value="CHEMISTRY/HMDBMappingFile.tsv" ftype="tabular"/> | |
16 <param name="struct" value="CHEMISTRY/HMDB2StructMapping.tsv" ftype="tabular"/> | |
17 </section> | |
18 <section name="algorithm"> | |
19 <param name="mass_error_value" value="5.0"/> | |
20 <param name="mass_error_unit" value="ppm"/> | |
21 <param name="ionization_mode" value="positive"/> | |
22 <param name="isotopic_similarity" value="false"/> | |
23 <param name="use_feature_adducts" value="false"/> | |
24 <param name="keep_unidentified_masses" value="false"/> | |
25 <section name="mzTab"> | |
26 <param name="exportIsotopeIntensities" value="false"/> | |
27 </section> | |
28 </section> | |
29 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
30 <output name="ctd_out" ftype="xml"> | |
31 <assert_contents> | |
32 <is_valid_xml/> | |
33 </assert_contents> | |
34 </output> | |
35 </test> | |
36 <test expect_num_outputs="3"> | |
37 <conditional name="adv_opts_cond"> | |
38 <param name="adv_opts_selector" value="advanced"/> | |
39 <param name="force" value="false"/> | |
40 <param name="test" value="true"/> | |
41 </conditional> | |
42 <param name="in" value="AccurateMassSearch_2_input.featureXML"/> | |
43 <output name="out" file="AccurateMassSearch_2_output.tmp.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
44 <output name="out_annotation" file="AccurateMassSearch_2_output.tmp.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
45 <param name="positive_adducts" value="AMS_PositiveAdducts.tsv" ftype="tabular"/> | |
46 <param name="negative_adducts" value="AMS_NegativeAdducts.tsv" ftype="tabular"/> | |
47 <section name="db"> | |
48 <param name="mapping" value="AMS_test_Mapping.tsv" ftype="tabular"/> | |
49 <param name="struct" value="AMS_test_Struct.tsv" ftype="tabular"/> | |
50 </section> | |
51 <section name="algorithm"> | |
52 <param name="mass_error_value" value="5.0"/> | |
53 <param name="mass_error_unit" value="ppm"/> | |
54 <param name="ionization_mode" value="positive"/> | |
55 <param name="isotopic_similarity" value="false"/> | |
56 <param name="use_feature_adducts" value="false"/> | |
57 <param name="keep_unidentified_masses" value="false"/> | |
58 <section name="mzTab"> | |
59 <param name="exportIsotopeIntensities" value="true"/> | |
60 </section> | |
61 </section> | |
62 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_annotation_FLAG"/> | |
63 <output name="ctd_out" ftype="xml"> | |
64 <assert_contents> | |
65 <is_valid_xml/> | |
66 </assert_contents> | |
67 </output> | |
68 </test> | |
69 <test expect_num_outputs="3"> | |
70 <conditional name="adv_opts_cond"> | |
71 <param name="adv_opts_selector" value="advanced"/> | |
72 <param name="force" value="false"/> | |
73 <param name="test" value="true"/> | |
74 </conditional> | |
75 <param name="in" value="AccurateMassSearch_2_input.featureXML"/> | |
76 <output name="out" file="AccurateMassSearch_3_output.tmp.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
77 <output name="out_annotation" file="AccurateMassSearch_2_output.tmp.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
78 <param name="positive_adducts" value="AMS_PositiveAdducts.tsv" ftype="tabular"/> | |
79 <param name="negative_adducts" value="AMS_NegativeAdducts.tsv" ftype="tabular"/> | |
80 <section name="db"> | |
81 <param name="mapping" value="AMS_test_Mapping.tsv" ftype="tabular"/> | |
82 <param name="struct" value="AMS_test_Struct.tsv" ftype="tabular"/> | |
83 </section> | |
84 <section name="algorithm"> | |
85 <param name="mass_error_value" value="5.0"/> | |
86 <param name="mass_error_unit" value="ppm"/> | |
87 <param name="ionization_mode" value="positive"/> | |
88 <param name="isotopic_similarity" value="false"/> | |
89 <param name="use_feature_adducts" value="false"/> | |
90 <param name="keep_unidentified_masses" value="false"/> | |
91 <section name="mzTab"> | |
92 <param name="exportIsotopeIntensities" value="false"/> | |
93 </section> | |
94 </section> | |
95 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_annotation_FLAG"/> | |
96 <output name="ctd_out" ftype="xml"> | |
97 <assert_contents> | |
98 <is_valid_xml/> | |
99 </assert_contents> | |
100 </output> | |
101 </test> | |
102 </xml> | |
103 <xml name="autotest_AssayGeneratorMetabo"> | |
104 <test expect_num_outputs="2"> | |
105 <conditional name="adv_opts_cond"> | |
106 <param name="adv_opts_selector" value="advanced"/> | |
107 <param name="precursor_recalibration_window" value="0.1"/> | |
108 <param name="precursor_recalibration_window_unit" value="Da"/> | |
109 <param name="min_fragment_mz" value="0.0"/> | |
110 <param name="max_fragment_mz" value="2000.0"/> | |
111 <param name="force" value="false"/> | |
112 <param name="test" value="true"/> | |
113 </conditional> | |
114 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
115 <param name="in_id" value="AssayGeneratorMetabo_ffm_input.featureXML"/> | |
116 <param name="out_type" value="tsv"/> | |
117 <output name="out" file="AssayGeneratorMetabo_ffm_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
118 <param name="fragment_annotation" value="none"/> | |
119 <param name="method" value="highest_intensity"/> | |
120 <param name="use_exact_mass" value="false"/> | |
121 <param name="exclude_ms2_precursor" value="false"/> | |
122 <param name="precursor_mz_distance" value="0.0001"/> | |
123 <param name="precursor_rt_tolerance" value="5.0"/> | |
124 <param name="use_known_unknowns" value="false"/> | |
125 <param name="min_transitions" value="1"/> | |
126 <param name="max_transitions" value="3"/> | |
127 <param name="cosine_similarity_threshold" value="0.98"/> | |
128 <param name="transition_threshold" value="5.0"/> | |
129 <param name="out_workspace_directory" value=""/> | |
130 <section name="deisotoping"> | |
131 <param name="use_deisotoper" value="false"/> | |
132 <param name="fragment_tolerance" value="1.0"/> | |
133 <param name="fragment_unit" value="ppm"/> | |
134 <param name="min_charge" value="1"/> | |
135 <param name="max_charge" value="1"/> | |
136 <param name="min_isopeaks" value="2"/> | |
137 <param name="max_isopeaks" value="3"/> | |
138 <param name="keep_only_deisotoped" value="false"/> | |
139 <param name="annotate_charge" value="false"/> | |
140 </section> | |
141 <section name="preprocessing"> | |
142 <param name="filter_by_num_masstraces" value="1"/> | |
143 <param name="precursor_mz_tolerance" value="0.005"/> | |
144 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
145 <param name="precursor_rt_tolerance" value="5"/> | |
146 <param name="isotope_pattern_iterations" value="3"/> | |
147 <param name="feature_only" value="false"/> | |
148 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
149 </section> | |
150 <section name="sirius"> | |
151 <param name="profile" value="qtof"/> | |
152 <param name="candidates" value="5"/> | |
153 <param name="database" value="all"/> | |
154 <param name="noise" value="0"/> | |
155 <param name="ppm_max" value="10"/> | |
156 <param name="isotope" value="both"/> | |
157 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
158 <param name="compound_timeout" value="10"/> | |
159 <param name="tree_timeout" value="0"/> | |
160 <param name="top_n_hits" value="10"/> | |
161 <param name="auto_charge" value="false"/> | |
162 <param name="ion_tree" value="false"/> | |
163 <param name="no_recalibration" value="false"/> | |
164 <param name="most_intense_ms2" value="false"/> | |
165 </section> | |
166 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
167 <output name="ctd_out" ftype="xml"> | |
168 <assert_contents> | |
169 <is_valid_xml/> | |
170 </assert_contents> | |
171 </output> | |
172 </test> | |
173 <test expect_num_outputs="2"> | |
174 <conditional name="adv_opts_cond"> | |
175 <param name="adv_opts_selector" value="advanced"/> | |
176 <param name="precursor_recalibration_window" value="0.1"/> | |
177 <param name="precursor_recalibration_window_unit" value="Da"/> | |
178 <param name="min_fragment_mz" value="0.0"/> | |
179 <param name="max_fragment_mz" value="2000.0"/> | |
180 <param name="force" value="false"/> | |
181 <param name="test" value="true"/> | |
182 </conditional> | |
183 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
184 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
185 <param name="out_type" value="tsv"/> | |
186 <output name="out" file="AssayGeneratorMetabo_ams_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
187 <param name="fragment_annotation" value="none"/> | |
188 <param name="method" value="highest_intensity"/> | |
189 <param name="use_exact_mass" value="false"/> | |
190 <param name="exclude_ms2_precursor" value="false"/> | |
191 <param name="precursor_mz_distance" value="0.0001"/> | |
192 <param name="precursor_rt_tolerance" value="5.0"/> | |
193 <param name="use_known_unknowns" value="false"/> | |
194 <param name="min_transitions" value="1"/> | |
195 <param name="max_transitions" value="3"/> | |
196 <param name="cosine_similarity_threshold" value="0.98"/> | |
197 <param name="transition_threshold" value="5.0"/> | |
198 <param name="out_workspace_directory" value=""/> | |
199 <section name="deisotoping"> | |
200 <param name="use_deisotoper" value="false"/> | |
201 <param name="fragment_tolerance" value="1.0"/> | |
202 <param name="fragment_unit" value="ppm"/> | |
203 <param name="min_charge" value="1"/> | |
204 <param name="max_charge" value="1"/> | |
205 <param name="min_isopeaks" value="2"/> | |
206 <param name="max_isopeaks" value="3"/> | |
207 <param name="keep_only_deisotoped" value="false"/> | |
208 <param name="annotate_charge" value="false"/> | |
209 </section> | |
210 <section name="preprocessing"> | |
211 <param name="filter_by_num_masstraces" value="1"/> | |
212 <param name="precursor_mz_tolerance" value="0.005"/> | |
213 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
214 <param name="precursor_rt_tolerance" value="5"/> | |
215 <param name="isotope_pattern_iterations" value="3"/> | |
216 <param name="feature_only" value="false"/> | |
217 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
218 </section> | |
219 <section name="sirius"> | |
220 <param name="profile" value="qtof"/> | |
221 <param name="candidates" value="5"/> | |
222 <param name="database" value="all"/> | |
223 <param name="noise" value="0"/> | |
224 <param name="ppm_max" value="10"/> | |
225 <param name="isotope" value="both"/> | |
226 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
227 <param name="compound_timeout" value="10"/> | |
228 <param name="tree_timeout" value="0"/> | |
229 <param name="top_n_hits" value="10"/> | |
230 <param name="auto_charge" value="false"/> | |
231 <param name="ion_tree" value="false"/> | |
232 <param name="no_recalibration" value="false"/> | |
233 <param name="most_intense_ms2" value="false"/> | |
234 </section> | |
235 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
236 <output name="ctd_out" ftype="xml"> | |
237 <assert_contents> | |
238 <is_valid_xml/> | |
239 </assert_contents> | |
240 </output> | |
241 </test> | |
242 <test expect_num_outputs="2"> | |
243 <conditional name="adv_opts_cond"> | |
244 <param name="adv_opts_selector" value="advanced"/> | |
245 <param name="precursor_recalibration_window" value="0.1"/> | |
246 <param name="precursor_recalibration_window_unit" value="Da"/> | |
247 <param name="min_fragment_mz" value="0.0"/> | |
248 <param name="max_fragment_mz" value="2000.0"/> | |
249 <param name="force" value="false"/> | |
250 <param name="test" value="true"/> | |
251 </conditional> | |
252 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
253 <param name="in_id" value="AssayGeneratorMetabo_ffm_input.featureXML"/> | |
254 <param name="out_type" value="tsv"/> | |
255 <output name="out" file="AssayGeneratorMetabo_ffm_output_consensus.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
256 <param name="fragment_annotation" value="none"/> | |
257 <param name="method" value="consensus_spectrum"/> | |
258 <param name="use_exact_mass" value="false"/> | |
259 <param name="exclude_ms2_precursor" value="false"/> | |
260 <param name="precursor_mz_distance" value="0.0001"/> | |
261 <param name="precursor_rt_tolerance" value="5.0"/> | |
262 <param name="use_known_unknowns" value="false"/> | |
263 <param name="min_transitions" value="1"/> | |
264 <param name="max_transitions" value="3"/> | |
265 <param name="cosine_similarity_threshold" value="0.98"/> | |
266 <param name="transition_threshold" value="5.0"/> | |
267 <param name="out_workspace_directory" value=""/> | |
268 <section name="deisotoping"> | |
269 <param name="use_deisotoper" value="false"/> | |
270 <param name="fragment_tolerance" value="1.0"/> | |
271 <param name="fragment_unit" value="ppm"/> | |
272 <param name="min_charge" value="1"/> | |
273 <param name="max_charge" value="1"/> | |
274 <param name="min_isopeaks" value="2"/> | |
275 <param name="max_isopeaks" value="3"/> | |
276 <param name="keep_only_deisotoped" value="false"/> | |
277 <param name="annotate_charge" value="false"/> | |
278 </section> | |
279 <section name="preprocessing"> | |
280 <param name="filter_by_num_masstraces" value="1"/> | |
281 <param name="precursor_mz_tolerance" value="0.005"/> | |
282 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
283 <param name="precursor_rt_tolerance" value="5"/> | |
284 <param name="isotope_pattern_iterations" value="3"/> | |
285 <param name="feature_only" value="false"/> | |
286 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
287 </section> | |
288 <section name="sirius"> | |
289 <param name="profile" value="qtof"/> | |
290 <param name="candidates" value="5"/> | |
291 <param name="database" value="all"/> | |
292 <param name="noise" value="0"/> | |
293 <param name="ppm_max" value="10"/> | |
294 <param name="isotope" value="both"/> | |
295 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
296 <param name="compound_timeout" value="10"/> | |
297 <param name="tree_timeout" value="0"/> | |
298 <param name="top_n_hits" value="10"/> | |
299 <param name="auto_charge" value="false"/> | |
300 <param name="ion_tree" value="false"/> | |
301 <param name="no_recalibration" value="false"/> | |
302 <param name="most_intense_ms2" value="false"/> | |
303 </section> | |
304 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
305 <output name="ctd_out" ftype="xml"> | |
306 <assert_contents> | |
307 <is_valid_xml/> | |
308 </assert_contents> | |
309 </output> | |
310 </test> | |
311 <test expect_num_outputs="2"> | |
312 <conditional name="adv_opts_cond"> | |
313 <param name="adv_opts_selector" value="advanced"/> | |
314 <param name="precursor_recalibration_window" value="0.1"/> | |
315 <param name="precursor_recalibration_window_unit" value="Da"/> | |
316 <param name="min_fragment_mz" value="0.0"/> | |
317 <param name="max_fragment_mz" value="2000.0"/> | |
318 <param name="force" value="false"/> | |
319 <param name="test" value="true"/> | |
320 </conditional> | |
321 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
322 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
323 <param name="out_type" value="tsv"/> | |
324 <output name="out" file="AssayGeneratorMetabo_ams_output_consensus.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
325 <param name="fragment_annotation" value="none"/> | |
326 <param name="method" value="consensus_spectrum"/> | |
327 <param name="use_exact_mass" value="false"/> | |
328 <param name="exclude_ms2_precursor" value="false"/> | |
329 <param name="precursor_mz_distance" value="0.0001"/> | |
330 <param name="precursor_rt_tolerance" value="5.0"/> | |
331 <param name="use_known_unknowns" value="false"/> | |
332 <param name="min_transitions" value="1"/> | |
333 <param name="max_transitions" value="3"/> | |
334 <param name="cosine_similarity_threshold" value="0.98"/> | |
335 <param name="transition_threshold" value="5.0"/> | |
336 <param name="out_workspace_directory" value=""/> | |
337 <section name="deisotoping"> | |
338 <param name="use_deisotoper" value="false"/> | |
339 <param name="fragment_tolerance" value="1.0"/> | |
340 <param name="fragment_unit" value="ppm"/> | |
341 <param name="min_charge" value="1"/> | |
342 <param name="max_charge" value="1"/> | |
343 <param name="min_isopeaks" value="2"/> | |
344 <param name="max_isopeaks" value="3"/> | |
345 <param name="keep_only_deisotoped" value="false"/> | |
346 <param name="annotate_charge" value="false"/> | |
347 </section> | |
348 <section name="preprocessing"> | |
349 <param name="filter_by_num_masstraces" value="1"/> | |
350 <param name="precursor_mz_tolerance" value="0.005"/> | |
351 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
352 <param name="precursor_rt_tolerance" value="5"/> | |
353 <param name="isotope_pattern_iterations" value="3"/> | |
354 <param name="feature_only" value="false"/> | |
355 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
356 </section> | |
357 <section name="sirius"> | |
358 <param name="profile" value="qtof"/> | |
359 <param name="candidates" value="5"/> | |
360 <param name="database" value="all"/> | |
361 <param name="noise" value="0"/> | |
362 <param name="ppm_max" value="10"/> | |
363 <param name="isotope" value="both"/> | |
364 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
365 <param name="compound_timeout" value="10"/> | |
366 <param name="tree_timeout" value="0"/> | |
367 <param name="top_n_hits" value="10"/> | |
368 <param name="auto_charge" value="false"/> | |
369 <param name="ion_tree" value="false"/> | |
370 <param name="no_recalibration" value="false"/> | |
371 <param name="most_intense_ms2" value="false"/> | |
372 </section> | |
373 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
374 <output name="ctd_out" ftype="xml"> | |
375 <assert_contents> | |
376 <is_valid_xml/> | |
377 </assert_contents> | |
378 </output> | |
379 </test> | |
380 <test expect_num_outputs="2"> | |
381 <conditional name="adv_opts_cond"> | |
382 <param name="adv_opts_selector" value="advanced"/> | |
383 <param name="precursor_recalibration_window" value="0.1"/> | |
384 <param name="precursor_recalibration_window_unit" value="Da"/> | |
385 <param name="min_fragment_mz" value="0.0"/> | |
386 <param name="max_fragment_mz" value="2000.0"/> | |
387 <param name="force" value="false"/> | |
388 <param name="test" value="true"/> | |
389 </conditional> | |
390 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
391 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
392 <param name="out_type" value="tsv"/> | |
393 <output name="out" file="AssayGeneratorMetabo_ams_uku_output_consensus.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
394 <param name="fragment_annotation" value="none"/> | |
395 <param name="method" value="consensus_spectrum"/> | |
396 <param name="use_exact_mass" value="false"/> | |
397 <param name="exclude_ms2_precursor" value="false"/> | |
398 <param name="precursor_mz_distance" value="0.0001"/> | |
399 <param name="precursor_rt_tolerance" value="5.0"/> | |
400 <param name="use_known_unknowns" value="true"/> | |
401 <param name="min_transitions" value="1"/> | |
402 <param name="max_transitions" value="3"/> | |
403 <param name="cosine_similarity_threshold" value="0.98"/> | |
404 <param name="transition_threshold" value="5.0"/> | |
405 <param name="out_workspace_directory" value=""/> | |
406 <section name="deisotoping"> | |
407 <param name="use_deisotoper" value="false"/> | |
408 <param name="fragment_tolerance" value="1.0"/> | |
409 <param name="fragment_unit" value="ppm"/> | |
410 <param name="min_charge" value="1"/> | |
411 <param name="max_charge" value="1"/> | |
412 <param name="min_isopeaks" value="2"/> | |
413 <param name="max_isopeaks" value="3"/> | |
414 <param name="keep_only_deisotoped" value="false"/> | |
415 <param name="annotate_charge" value="false"/> | |
416 </section> | |
417 <section name="preprocessing"> | |
418 <param name="filter_by_num_masstraces" value="1"/> | |
419 <param name="precursor_mz_tolerance" value="0.005"/> | |
420 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
421 <param name="precursor_rt_tolerance" value="5"/> | |
422 <param name="isotope_pattern_iterations" value="3"/> | |
423 <param name="feature_only" value="false"/> | |
424 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
425 </section> | |
426 <section name="sirius"> | |
427 <param name="profile" value="qtof"/> | |
428 <param name="candidates" value="5"/> | |
429 <param name="database" value="all"/> | |
430 <param name="noise" value="0"/> | |
431 <param name="ppm_max" value="10"/> | |
432 <param name="isotope" value="both"/> | |
433 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
434 <param name="compound_timeout" value="10"/> | |
435 <param name="tree_timeout" value="0"/> | |
436 <param name="top_n_hits" value="10"/> | |
437 <param name="auto_charge" value="false"/> | |
438 <param name="ion_tree" value="false"/> | |
439 <param name="no_recalibration" value="false"/> | |
440 <param name="most_intense_ms2" value="false"/> | |
441 </section> | |
442 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
443 <output name="ctd_out" ftype="xml"> | |
444 <assert_contents> | |
445 <is_valid_xml/> | |
446 </assert_contents> | |
447 </output> | |
448 </test> | |
449 <test expect_num_outputs="2"> | |
450 <conditional name="adv_opts_cond"> | |
451 <param name="adv_opts_selector" value="advanced"/> | |
452 <param name="precursor_recalibration_window" value="0.1"/> | |
453 <param name="precursor_recalibration_window_unit" value="Da"/> | |
454 <param name="min_fragment_mz" value="0.0"/> | |
455 <param name="max_fragment_mz" value="2000.0"/> | |
456 <param name="force" value="false"/> | |
457 <param name="test" value="true"/> | |
458 </conditional> | |
459 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
460 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
461 <param name="out_type" value="tsv"/> | |
462 <output name="out" file="AssayGeneratorMetabo_ams_sirius_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
463 <param name="fragment_annotation" value="sirius"/> | |
464 <param name="method" value="highest_intensity"/> | |
465 <param name="use_exact_mass" value="true"/> | |
466 <param name="exclude_ms2_precursor" value="false"/> | |
467 <param name="precursor_mz_distance" value="0.0001"/> | |
468 <param name="precursor_rt_tolerance" value="5.0"/> | |
469 <param name="use_known_unknowns" value="false"/> | |
470 <param name="min_transitions" value="2"/> | |
471 <param name="max_transitions" value="3"/> | |
472 <param name="cosine_similarity_threshold" value="0.98"/> | |
473 <param name="transition_threshold" value="3.0"/> | |
474 <param name="out_workspace_directory" value=""/> | |
475 <section name="deisotoping"> | |
476 <param name="use_deisotoper" value="false"/> | |
477 <param name="fragment_tolerance" value="1.0"/> | |
478 <param name="fragment_unit" value="ppm"/> | |
479 <param name="min_charge" value="1"/> | |
480 <param name="max_charge" value="1"/> | |
481 <param name="min_isopeaks" value="2"/> | |
482 <param name="max_isopeaks" value="3"/> | |
483 <param name="keep_only_deisotoped" value="false"/> | |
484 <param name="annotate_charge" value="false"/> | |
485 </section> | |
486 <section name="preprocessing"> | |
487 <param name="filter_by_num_masstraces" value="1"/> | |
488 <param name="precursor_mz_tolerance" value="10.0"/> | |
489 <param name="precursor_mz_tolerance_unit" value="ppm"/> | |
490 <param name="precursor_rt_tolerance" value="5"/> | |
491 <param name="isotope_pattern_iterations" value="3"/> | |
492 <param name="feature_only" value="true"/> | |
493 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
494 </section> | |
495 <section name="sirius"> | |
496 <param name="profile" value="qtof"/> | |
497 <param name="candidates" value="5"/> | |
498 <param name="database" value="all"/> | |
499 <param name="noise" value="0"/> | |
500 <param name="ppm_max" value="10"/> | |
501 <param name="isotope" value="both"/> | |
502 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
503 <param name="compound_timeout" value="100"/> | |
504 <param name="tree_timeout" value="0"/> | |
505 <param name="top_n_hits" value="10"/> | |
506 <param name="auto_charge" value="false"/> | |
507 <param name="ion_tree" value="false"/> | |
508 <param name="no_recalibration" value="false"/> | |
509 <param name="most_intense_ms2" value="false"/> | |
510 </section> | |
511 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
512 <output name="ctd_out" ftype="xml"> | |
513 <assert_contents> | |
514 <is_valid_xml/> | |
515 </assert_contents> | |
516 </output> | |
517 </test> | |
518 <test expect_num_outputs="2"> | |
519 <conditional name="adv_opts_cond"> | |
520 <param name="adv_opts_selector" value="advanced"/> | |
521 <param name="precursor_recalibration_window" value="0.1"/> | |
522 <param name="precursor_recalibration_window_unit" value="Da"/> | |
523 <param name="min_fragment_mz" value="0.0"/> | |
524 <param name="max_fragment_mz" value="2000.0"/> | |
525 <param name="force" value="false"/> | |
526 <param name="test" value="true"/> | |
527 </conditional> | |
528 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
529 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
530 <param name="out_type" value="tsv"/> | |
531 <output name="out" file="AssayGeneratorMetabo_ams_sirius_ukn_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
532 <param name="fragment_annotation" value="sirius"/> | |
533 <param name="method" value="highest_intensity"/> | |
534 <param name="use_exact_mass" value="true"/> | |
535 <param name="exclude_ms2_precursor" value="false"/> | |
536 <param name="precursor_mz_distance" value="0.0001"/> | |
537 <param name="precursor_rt_tolerance" value="5.0"/> | |
538 <param name="use_known_unknowns" value="true"/> | |
539 <param name="min_transitions" value="2"/> | |
540 <param name="max_transitions" value="3"/> | |
541 <param name="cosine_similarity_threshold" value="0.98"/> | |
542 <param name="transition_threshold" value="3.0"/> | |
543 <param name="out_workspace_directory" value=""/> | |
544 <section name="deisotoping"> | |
545 <param name="use_deisotoper" value="false"/> | |
546 <param name="fragment_tolerance" value="1.0"/> | |
547 <param name="fragment_unit" value="ppm"/> | |
548 <param name="min_charge" value="1"/> | |
549 <param name="max_charge" value="1"/> | |
550 <param name="min_isopeaks" value="2"/> | |
551 <param name="max_isopeaks" value="3"/> | |
552 <param name="keep_only_deisotoped" value="false"/> | |
553 <param name="annotate_charge" value="false"/> | |
554 </section> | |
555 <section name="preprocessing"> | |
556 <param name="filter_by_num_masstraces" value="1"/> | |
557 <param name="precursor_mz_tolerance" value="10.0"/> | |
558 <param name="precursor_mz_tolerance_unit" value="ppm"/> | |
559 <param name="precursor_rt_tolerance" value="5"/> | |
560 <param name="isotope_pattern_iterations" value="3"/> | |
561 <param name="feature_only" value="true"/> | |
562 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
563 </section> | |
564 <section name="sirius"> | |
565 <param name="profile" value="qtof"/> | |
566 <param name="candidates" value="5"/> | |
567 <param name="database" value="all"/> | |
568 <param name="noise" value="0"/> | |
569 <param name="ppm_max" value="10"/> | |
570 <param name="isotope" value="both"/> | |
571 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
572 <param name="compound_timeout" value="100"/> | |
573 <param name="tree_timeout" value="0"/> | |
574 <param name="top_n_hits" value="10"/> | |
575 <param name="auto_charge" value="false"/> | |
576 <param name="ion_tree" value="false"/> | |
577 <param name="no_recalibration" value="false"/> | |
578 <param name="most_intense_ms2" value="false"/> | |
579 </section> | |
580 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
581 <output name="ctd_out" ftype="xml"> | |
582 <assert_contents> | |
583 <is_valid_xml/> | |
584 </assert_contents> | |
585 </output> | |
586 </test> | |
587 <test expect_num_outputs="2"> | |
588 <conditional name="adv_opts_cond"> | |
589 <param name="adv_opts_selector" value="advanced"/> | |
590 <param name="precursor_recalibration_window" value="0.1"/> | |
591 <param name="precursor_recalibration_window_unit" value="Da"/> | |
592 <param name="min_fragment_mz" value="0.0"/> | |
593 <param name="max_fragment_mz" value="2000.0"/> | |
594 <param name="force" value="false"/> | |
595 <param name="test" value="true"/> | |
596 </conditional> | |
597 <param name="in" value="AssayGeneratorMetabo_intsort_input.mzML"/> | |
598 <param name="in_id" value="AssayGeneratorMetabo_intsort_input.featureXML"/> | |
599 <param name="out_type" value="tsv"/> | |
600 <output name="out" file="AssayGeneratorMetabo_ams_sirius_intsort_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
601 <param name="fragment_annotation" value="sirius"/> | |
602 <param name="method" value="highest_intensity"/> | |
603 <param name="use_exact_mass" value="true"/> | |
604 <param name="exclude_ms2_precursor" value="false"/> | |
605 <param name="precursor_mz_distance" value="0.0001"/> | |
606 <param name="precursor_rt_tolerance" value="5.0"/> | |
607 <param name="use_known_unknowns" value="false"/> | |
608 <param name="min_transitions" value="2"/> | |
609 <param name="max_transitions" value="3"/> | |
610 <param name="cosine_similarity_threshold" value="0.98"/> | |
611 <param name="transition_threshold" value="3.0"/> | |
612 <param name="out_workspace_directory" value=""/> | |
613 <section name="deisotoping"> | |
614 <param name="use_deisotoper" value="false"/> | |
615 <param name="fragment_tolerance" value="1.0"/> | |
616 <param name="fragment_unit" value="ppm"/> | |
617 <param name="min_charge" value="1"/> | |
618 <param name="max_charge" value="1"/> | |
619 <param name="min_isopeaks" value="2"/> | |
620 <param name="max_isopeaks" value="3"/> | |
621 <param name="keep_only_deisotoped" value="false"/> | |
622 <param name="annotate_charge" value="false"/> | |
623 </section> | |
624 <section name="preprocessing"> | |
625 <param name="filter_by_num_masstraces" value="1"/> | |
626 <param name="precursor_mz_tolerance" value="10.0"/> | |
627 <param name="precursor_mz_tolerance_unit" value="ppm"/> | |
628 <param name="precursor_rt_tolerance" value="5"/> | |
629 <param name="isotope_pattern_iterations" value="3"/> | |
630 <param name="feature_only" value="true"/> | |
631 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
632 </section> | |
633 <section name="sirius"> | |
634 <param name="profile" value="qtof"/> | |
635 <param name="candidates" value="5"/> | |
636 <param name="database" value="all"/> | |
637 <param name="noise" value="0"/> | |
638 <param name="ppm_max" value="10"/> | |
639 <param name="isotope" value="both"/> | |
640 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
641 <param name="compound_timeout" value="100"/> | |
642 <param name="tree_timeout" value="0"/> | |
643 <param name="top_n_hits" value="10"/> | |
644 <param name="auto_charge" value="false"/> | |
645 <param name="ion_tree" value="false"/> | |
646 <param name="no_recalibration" value="false"/> | |
647 <param name="most_intense_ms2" value="false"/> | |
648 </section> | |
649 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
650 <output name="ctd_out" ftype="xml"> | |
651 <assert_contents> | |
652 <is_valid_xml/> | |
653 </assert_contents> | |
654 </output> | |
655 </test> | |
656 <test expect_num_outputs="2"> | |
657 <conditional name="adv_opts_cond"> | |
658 <param name="adv_opts_selector" value="advanced"/> | |
659 <param name="precursor_recalibration_window" value="0.1"/> | |
660 <param name="precursor_recalibration_window_unit" value="Da"/> | |
661 <param name="min_fragment_mz" value="100.0"/> | |
662 <param name="max_fragment_mz" value="900.0"/> | |
663 <param name="force" value="false"/> | |
664 <param name="test" value="true"/> | |
665 </conditional> | |
666 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
667 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
668 <param name="out_type" value="tsv"/> | |
669 <output name="out" file="AssayGeneratorMetabo_ams_sirius_restrict_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
670 <param name="fragment_annotation" value="sirius"/> | |
671 <param name="method" value="highest_intensity"/> | |
672 <param name="use_exact_mass" value="true"/> | |
673 <param name="exclude_ms2_precursor" value="false"/> | |
674 <param name="precursor_mz_distance" value="0.0001"/> | |
675 <param name="precursor_rt_tolerance" value="5.0"/> | |
676 <param name="use_known_unknowns" value="false"/> | |
677 <param name="min_transitions" value="2"/> | |
678 <param name="max_transitions" value="3"/> | |
679 <param name="cosine_similarity_threshold" value="0.98"/> | |
680 <param name="transition_threshold" value="3.0"/> | |
681 <param name="out_workspace_directory" value=""/> | |
682 <section name="deisotoping"> | |
683 <param name="use_deisotoper" value="false"/> | |
684 <param name="fragment_tolerance" value="1.0"/> | |
685 <param name="fragment_unit" value="ppm"/> | |
686 <param name="min_charge" value="1"/> | |
687 <param name="max_charge" value="1"/> | |
688 <param name="min_isopeaks" value="2"/> | |
689 <param name="max_isopeaks" value="3"/> | |
690 <param name="keep_only_deisotoped" value="false"/> | |
691 <param name="annotate_charge" value="false"/> | |
692 </section> | |
693 <section name="preprocessing"> | |
694 <param name="filter_by_num_masstraces" value="1"/> | |
695 <param name="precursor_mz_tolerance" value="10.0"/> | |
696 <param name="precursor_mz_tolerance_unit" value="ppm"/> | |
697 <param name="precursor_rt_tolerance" value="5"/> | |
698 <param name="isotope_pattern_iterations" value="3"/> | |
699 <param name="feature_only" value="true"/> | |
700 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
701 </section> | |
702 <section name="sirius"> | |
703 <param name="profile" value="qtof"/> | |
704 <param name="candidates" value="5"/> | |
705 <param name="database" value="all"/> | |
706 <param name="noise" value="0"/> | |
707 <param name="ppm_max" value="10"/> | |
708 <param name="isotope" value="both"/> | |
709 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
710 <param name="compound_timeout" value="100"/> | |
711 <param name="tree_timeout" value="0"/> | |
712 <param name="top_n_hits" value="10"/> | |
713 <param name="auto_charge" value="false"/> | |
714 <param name="ion_tree" value="false"/> | |
715 <param name="no_recalibration" value="false"/> | |
716 <param name="most_intense_ms2" value="false"/> | |
717 </section> | |
718 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
719 <output name="ctd_out" ftype="xml"> | |
720 <assert_contents> | |
721 <is_valid_xml/> | |
722 </assert_contents> | |
723 </output> | |
724 </test> | |
725 </xml> | |
726 <xml name="autotest_BaselineFilter"> | |
727 <test expect_num_outputs="2"> | |
728 <conditional name="adv_opts_cond"> | |
729 <param name="adv_opts_selector" value="advanced"/> | |
730 <param name="force" value="false"/> | |
731 <param name="test" value="true"/> | |
732 </conditional> | |
733 <param name="in" value="BaselineFilter_input.mzML"/> | |
734 <output name="out" file="BaselineFilter_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
735 <param name="struc_elem_length" value="1.5"/> | |
736 <param name="struc_elem_unit" value="Thomson"/> | |
737 <param name="method" value="tophat"/> | |
738 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
739 <output name="ctd_out" ftype="xml"> | |
740 <assert_contents> | |
741 <is_valid_xml/> | |
742 </assert_contents> | |
743 </output> | |
744 </test> | |
745 </xml> | |
746 <xml name="autotest_ClusterMassTracesByPrecursor"> | |
747 </xml> | |
748 <xml name="autotest_ClusterMassTraces"> | |
749 </xml> | |
750 <xml name="autotest_CometAdapter"> | |
751 <test expect_num_outputs="3"> | |
752 <conditional name="adv_opts_cond"> | |
753 <param name="adv_opts_selector" value="advanced"/> | |
754 <param name="use_A_ions" value="false"/> | |
755 <param name="use_B_ions" value="true"/> | |
756 <param name="use_C_ions" value="false"/> | |
757 <param name="use_X_ions" value="false"/> | |
758 <param name="use_Y_ions" value="true"/> | |
759 <param name="use_Z_ions" value="false"/> | |
760 <param name="use_NL_ions" value="false"/> | |
761 <param name="second_enzyme" value=""/> | |
762 <param name="digest_mass_range" value="600:5000"/> | |
763 <param name="max_precursor_charge" value="5"/> | |
764 <param name="spectrum_batch_size" value="1000"/> | |
765 <param name="mass_offsets" value="0.0"/> | |
766 <param name="minimum_peaks" value="10"/> | |
767 <param name="minimum_intensity" value="0.0"/> | |
768 <param name="remove_precursor_peak" value="no"/> | |
769 <param name="remove_precursor_tolerance" value="1.5"/> | |
770 <param name="clear_mz_range" value="0:0"/> | |
771 <param name="max_variable_mods_in_peptide" value="5"/> | |
772 <param name="require_variable_mod" value="false"/> | |
773 <param name="force" value="true"/> | |
774 <param name="test" value="true"/> | |
775 </conditional> | |
776 <param name="in" value="spectra_comet.mzML"/> | |
777 <output name="out" file="CometAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
778 <param name="database" value="proteins.fasta"/> | |
779 <output name="pin_out" file="CometAdapter_1_out2.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
780 <param name="precursor_mass_tolerance" value="3.0"/> | |
781 <param name="precursor_error_units" value="ppm"/> | |
782 <param name="isotope_error" value="off"/> | |
783 <param name="fragment_mass_tolerance" value="0.50025"/> | |
784 <param name="fragment_error_units" value="Da"/> | |
785 <param name="fragment_bin_offset" value="0.25"/> | |
786 <param name="instrument" value="high_res"/> | |
787 <param name="enzyme" value="Trypsin"/> | |
788 <param name="num_enzyme_termini" value="fully"/> | |
789 <param name="missed_cleavages" value="1"/> | |
790 <param name="min_peptide_length" value="5"/> | |
791 <param name="max_peptide_length" value="63"/> | |
792 <param name="num_hits" value="5"/> | |
793 <param name="precursor_charge" value="0:0"/> | |
794 <param name="override_charge" value="keep any known"/> | |
795 <param name="ms_level" value="2"/> | |
796 <param name="activation_method" value="ALL"/> | |
797 <param name="max_fragment_charge" value="3"/> | |
798 <param name="clip_nterm_methionine" value="false"/> | |
799 <param name="fixed_modifications" value=""/> | |
800 <param name="variable_modifications" value=""/> | |
801 <param name="binary_modifications" value=""/> | |
802 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,pin_out_FLAG"/> | |
803 <output name="ctd_out" ftype="xml"> | |
804 <assert_contents> | |
805 <is_valid_xml/> | |
806 </assert_contents> | |
807 </output> | |
808 </test> | |
809 <test expect_num_outputs="3"> | |
810 <conditional name="adv_opts_cond"> | |
811 <param name="adv_opts_selector" value="advanced"/> | |
812 <param name="use_A_ions" value="false"/> | |
813 <param name="use_B_ions" value="true"/> | |
814 <param name="use_C_ions" value="false"/> | |
815 <param name="use_X_ions" value="false"/> | |
816 <param name="use_Y_ions" value="true"/> | |
817 <param name="use_Z_ions" value="false"/> | |
818 <param name="use_NL_ions" value="false"/> | |
819 <param name="second_enzyme" value=""/> | |
820 <param name="digest_mass_range" value="600:5000"/> | |
821 <param name="max_precursor_charge" value="5"/> | |
822 <param name="spectrum_batch_size" value="1000"/> | |
823 <param name="mass_offsets" value="0.0"/> | |
824 <param name="minimum_peaks" value="10"/> | |
825 <param name="minimum_intensity" value="0.0"/> | |
826 <param name="remove_precursor_peak" value="no"/> | |
827 <param name="remove_precursor_tolerance" value="1.5"/> | |
828 <param name="clear_mz_range" value="0:0"/> | |
829 <param name="max_variable_mods_in_peptide" value="5"/> | |
830 <param name="require_variable_mod" value="false"/> | |
831 <param name="force" value="true"/> | |
832 <param name="test" value="true"/> | |
833 </conditional> | |
834 <param name="in" value="CometAdapter_2_prepared.mzML"/> | |
835 <output name="out" file="CometAdapter_2_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
836 <param name="database" value="CometAdapter_2_in.fasta"/> | |
837 <output name="pin_out" file="CometAdapter_2_out2.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
838 <param name="precursor_mass_tolerance" value="3.0"/> | |
839 <param name="precursor_error_units" value="Da"/> | |
840 <param name="isotope_error" value="off"/> | |
841 <param name="fragment_mass_tolerance" value="0.50025"/> | |
842 <param name="fragment_error_units" value="Da"/> | |
843 <param name="fragment_bin_offset" value="0.25"/> | |
844 <param name="instrument" value="high_res"/> | |
845 <param name="enzyme" value="Trypsin"/> | |
846 <param name="num_enzyme_termini" value="fully"/> | |
847 <param name="missed_cleavages" value="1"/> | |
848 <param name="min_peptide_length" value="5"/> | |
849 <param name="max_peptide_length" value="63"/> | |
850 <param name="num_hits" value="5"/> | |
851 <param name="precursor_charge" value="0:0"/> | |
852 <param name="override_charge" value="keep any known"/> | |
853 <param name="ms_level" value="2"/> | |
854 <param name="activation_method" value="ALL"/> | |
855 <param name="max_fragment_charge" value="3"/> | |
856 <param name="clip_nterm_methionine" value="false"/> | |
857 <param name="fixed_modifications" value=""/> | |
858 <param name="variable_modifications" value=""/> | |
859 <param name="binary_modifications" value=""/> | |
860 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,pin_out_FLAG"/> | |
861 <output name="ctd_out" ftype="xml"> | |
862 <assert_contents> | |
863 <is_valid_xml/> | |
864 </assert_contents> | |
865 </output> | |
866 </test> | |
867 <test expect_num_outputs="3"> | |
868 <conditional name="adv_opts_cond"> | |
869 <param name="adv_opts_selector" value="advanced"/> | |
870 <param name="use_A_ions" value="false"/> | |
871 <param name="use_B_ions" value="true"/> | |
872 <param name="use_C_ions" value="false"/> | |
873 <param name="use_X_ions" value="false"/> | |
874 <param name="use_Y_ions" value="true"/> | |
875 <param name="use_Z_ions" value="false"/> | |
876 <param name="use_NL_ions" value="false"/> | |
877 <param name="second_enzyme" value=""/> | |
878 <param name="digest_mass_range" value="600:5000"/> | |
879 <param name="max_precursor_charge" value="5"/> | |
880 <param name="spectrum_batch_size" value="20000"/> | |
881 <param name="mass_offsets" value="0.0"/> | |
882 <param name="minimum_peaks" value="10"/> | |
883 <param name="minimum_intensity" value="0.0"/> | |
884 <param name="remove_precursor_peak" value="no"/> | |
885 <param name="remove_precursor_tolerance" value="1.5"/> | |
886 <param name="clear_mz_range" value="0:0"/> | |
887 <param name="max_variable_mods_in_peptide" value="3"/> | |
888 <param name="require_variable_mod" value="false"/> | |
889 <param name="force" value="false"/> | |
890 <param name="test" value="true"/> | |
891 </conditional> | |
892 <param name="in" value="CometAdapter_3.mzML"/> | |
893 <output name="out" file="CometAdapter_3_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
894 <param name="database" value="CometAdapter_3.fasta"/> | |
895 <output name="pin_out" file="CometAdapter_3_out2.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
896 <param name="precursor_mass_tolerance" value="5.0"/> | |
897 <param name="precursor_error_units" value="ppm"/> | |
898 <param name="isotope_error" value="off"/> | |
899 <param name="fragment_mass_tolerance" value="0.01"/> | |
900 <param name="fragment_error_units" value="Da"/> | |
901 <param name="fragment_bin_offset" value="0.0"/> | |
902 <param name="instrument" value="high_res"/> | |
903 <param name="enzyme" value="Trypsin"/> | |
904 <param name="num_enzyme_termini" value="fully"/> | |
905 <param name="missed_cleavages" value="3"/> | |
906 <param name="min_peptide_length" value="5"/> | |
907 <param name="max_peptide_length" value="63"/> | |
908 <param name="num_hits" value="5"/> | |
909 <param name="precursor_charge" value="0:0"/> | |
910 <param name="override_charge" value="keep known search unknown"/> | |
911 <param name="ms_level" value="2"/> | |
912 <param name="activation_method" value="ALL"/> | |
913 <param name="max_fragment_charge" value="3"/> | |
914 <param name="clip_nterm_methionine" value="false"/> | |
915 <param name="fixed_modifications" value="Carbamidomethyl (C)"/> | |
916 <param name="variable_modifications" value="Acetyl (Protein N-term),Carbamidomethyl (N-term)"/> | |
917 <param name="binary_modifications" value=""/> | |
918 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,pin_out_FLAG"/> | |
919 <output name="ctd_out" ftype="xml"> | |
920 <assert_contents> | |
921 <is_valid_xml/> | |
922 </assert_contents> | |
923 </output> | |
924 </test> | |
925 <test expect_num_outputs="2"> | |
926 <conditional name="adv_opts_cond"> | |
927 <param name="adv_opts_selector" value="advanced"/> | |
928 <param name="use_A_ions" value="false"/> | |
929 <param name="use_B_ions" value="true"/> | |
930 <param name="use_C_ions" value="false"/> | |
931 <param name="use_X_ions" value="false"/> | |
932 <param name="use_Y_ions" value="true"/> | |
933 <param name="use_Z_ions" value="false"/> | |
934 <param name="use_NL_ions" value="false"/> | |
935 <param name="second_enzyme" value=""/> | |
936 <param name="digest_mass_range" value="600:1200"/> | |
937 <param name="max_precursor_charge" value="5"/> | |
938 <param name="spectrum_batch_size" value="20000"/> | |
939 <param name="mass_offsets" value="0.0"/> | |
940 <param name="minimum_peaks" value="10"/> | |
941 <param name="minimum_intensity" value="0.0"/> | |
942 <param name="remove_precursor_peak" value="no"/> | |
943 <param name="remove_precursor_tolerance" value="1.5"/> | |
944 <param name="clear_mz_range" value="0:0"/> | |
945 <param name="max_variable_mods_in_peptide" value="3"/> | |
946 <param name="require_variable_mod" value="false"/> | |
947 <param name="force" value="false"/> | |
948 <param name="test" value="true"/> | |
949 </conditional> | |
950 <param name="in" value="examples/FRACTIONS/BSA1_F1.mzML"/> | |
951 <output name="out" file="CometAdapter_4_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
952 <param name="database" value="examples/TOPPAS/data/BSA_Identification/18Protein_SoCe_Tr_detergents_trace_target_decoy.fasta"/> | |
953 <param name="precursor_mass_tolerance" value="5.0"/> | |
954 <param name="precursor_error_units" value="ppm"/> | |
955 <param name="isotope_error" value="off"/> | |
956 <param name="fragment_mass_tolerance" value="0.01"/> | |
957 <param name="fragment_error_units" value="Da"/> | |
958 <param name="fragment_bin_offset" value="0.0"/> | |
959 <param name="instrument" value="high_res"/> | |
960 <param name="enzyme" value="Trypsin"/> | |
961 <param name="num_enzyme_termini" value="fully"/> | |
962 <param name="missed_cleavages" value="3"/> | |
963 <param name="min_peptide_length" value="5"/> | |
964 <param name="max_peptide_length" value="63"/> | |
965 <param name="num_hits" value="5"/> | |
966 <param name="precursor_charge" value="0:0"/> | |
967 <param name="override_charge" value="keep known search unknown"/> | |
968 <param name="ms_level" value="2"/> | |
969 <param name="activation_method" value="ALL"/> | |
970 <param name="max_fragment_charge" value="3"/> | |
971 <param name="clip_nterm_methionine" value="false"/> | |
972 <param name="fixed_modifications" value="Carbamidomethyl (C)"/> | |
973 <param name="variable_modifications" value="Met-loss (Protein N-term M)"/> | |
974 <param name="binary_modifications" value=""/> | |
975 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
976 <output name="ctd_out" ftype="xml"> | |
977 <assert_contents> | |
978 <is_valid_xml/> | |
979 </assert_contents> | |
980 </output> | |
981 </test> | |
982 </xml> | |
983 <xml name="autotest_CompNovoCID"> | |
984 <test expect_num_outputs="2"> | |
985 <conditional name="adv_opts_cond"> | |
986 <param name="adv_opts_selector" value="advanced"/> | |
987 <param name="force" value="false"/> | |
988 <param name="test" value="true"/> | |
989 </conditional> | |
990 <param name="in" value="CompNovoCID_1_input.mzML"/> | |
991 <output name="out" file="CompNovoCID_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
992 <section name="algorithm"> | |
993 <param name="max_number_aa_per_decomp" value="4"/> | |
994 <param name="tryptic_only" value="true"/> | |
995 <param name="precursor_mass_tolerance" value="0.3"/> | |
996 <param name="fragment_mass_tolerance" value="0.3"/> | |
997 <param name="max_number_pivot" value="9"/> | |
998 <param name="max_subscore_number" value="40"/> | |
999 <param name="decomp_weights_precision" value="0.01"/> | |
1000 <param name="double_charged_iso_threshold" value="0.6"/> | |
1001 <param name="max_mz" value="2000.0"/> | |
1002 <param name="min_mz" value="200.0"/> | |
1003 <param name="max_isotope_to_score" value="3"/> | |
1004 <param name="max_decomp_weight" value="450.0"/> | |
1005 <param name="max_isotope" value="3"/> | |
1006 <param name="missed_cleavages" value="1"/> | |
1007 <param name="number_of_hits" value="1"/> | |
1008 <param name="estimate_precursor_mz" value="true"/> | |
1009 <param name="number_of_prescoring_hits" value="250"/> | |
1010 <param name="fixed_modifications" value=""/> | |
1011 <param name="variable_modifications" value=""/> | |
1012 <param name="residue_set" value="Natural19WithoutI"/> | |
1013 </section> | |
1014 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1015 <output name="ctd_out" ftype="xml"> | |
1016 <assert_contents> | |
1017 <is_valid_xml/> | |
1018 </assert_contents> | |
1019 </output> | |
1020 </test> | |
1021 </xml> | |
1022 <xml name="autotest_CompNovo"> | |
1023 <test expect_num_outputs="2"> | |
1024 <conditional name="adv_opts_cond"> | |
1025 <param name="adv_opts_selector" value="advanced"/> | |
1026 <param name="force" value="false"/> | |
1027 <param name="test" value="true"/> | |
1028 </conditional> | |
1029 <param name="in" value="CompNovo_1_input.mzML"/> | |
1030 <output name="out" file="CompNovo_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1031 <section name="algorithm"> | |
1032 <param name="max_number_aa_per_decomp" value="4"/> | |
1033 <param name="tryptic_only" value="true"/> | |
1034 <param name="precursor_mass_tolerance" value="0.3"/> | |
1035 <param name="fragment_mass_tolerance" value="0.3"/> | |
1036 <param name="max_number_pivot" value="9"/> | |
1037 <param name="max_subscore_number" value="40"/> | |
1038 <param name="decomp_weights_precision" value="0.01"/> | |
1039 <param name="double_charged_iso_threshold" value="0.6"/> | |
1040 <param name="max_mz" value="2000.0"/> | |
1041 <param name="min_mz" value="200.0"/> | |
1042 <param name="max_isotope_to_score" value="3"/> | |
1043 <param name="max_decomp_weight" value="450.0"/> | |
1044 <param name="max_isotope" value="3"/> | |
1045 <param name="missed_cleavages" value="1"/> | |
1046 <param name="number_of_hits" value="1"/> | |
1047 <param name="estimate_precursor_mz" value="true"/> | |
1048 <param name="number_of_prescoring_hits" value="250"/> | |
1049 <param name="fixed_modifications" value=""/> | |
1050 <param name="variable_modifications" value=""/> | |
1051 <param name="residue_set" value="Natural19WithoutI"/> | |
1052 </section> | |
1053 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1054 <output name="ctd_out" ftype="xml"> | |
1055 <assert_contents> | |
1056 <is_valid_xml/> | |
1057 </assert_contents> | |
1058 </output> | |
1059 </test> | |
1060 </xml> | |
1061 <xml name="autotest_ConsensusID"> | |
1062 <test expect_num_outputs="2"> | |
1063 <conditional name="adv_opts_cond"> | |
1064 <param name="adv_opts_selector" value="advanced"/> | |
1065 <param name="force" value="false"/> | |
1066 <param name="test" value="true"/> | |
1067 </conditional> | |
1068 <param name="in" value="ConsensusID_1_input.idXML"/> | |
1069 <output name="out" file="ConsensusID_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1070 <param name="rt_delta" value="0.1"/> | |
1071 <param name="mz_delta" value="0.1"/> | |
1072 <param name="per_spectrum" value="false"/> | |
1073 <param name="algorithm" value="PEPMatrix"/> | |
1074 <section name="filter"> | |
1075 <param name="considered_hits" value="0"/> | |
1076 <param name="min_support" value="0.0"/> | |
1077 <param name="count_empty" value="false"/> | |
1078 <param name="keep_old_scores" value="false"/> | |
1079 </section> | |
1080 <section name="PEPIons"> | |
1081 <param name="mass_tolerance" value="0.5"/> | |
1082 <param name="min_shared" value="2"/> | |
1083 </section> | |
1084 <section name="PEPMatrix"> | |
1085 <param name="matrix" value="PAM30MS"/> | |
1086 <param name="penalty" value="5"/> | |
1087 </section> | |
1088 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1089 <output name="ctd_out" ftype="xml"> | |
1090 <assert_contents> | |
1091 <is_valid_xml/> | |
1092 </assert_contents> | |
1093 </output> | |
1094 </test> | |
1095 <test expect_num_outputs="2"> | |
1096 <conditional name="adv_opts_cond"> | |
1097 <param name="adv_opts_selector" value="advanced"/> | |
1098 <param name="force" value="false"/> | |
1099 <param name="test" value="true"/> | |
1100 </conditional> | |
1101 <param name="in" value="ConsensusID_2_input.featureXML"/> | |
1102 <output name="out" file="ConsensusID_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
1103 <param name="rt_delta" value="0.1"/> | |
1104 <param name="mz_delta" value="0.1"/> | |
1105 <param name="per_spectrum" value="false"/> | |
1106 <param name="algorithm" value="average"/> | |
1107 <section name="filter"> | |
1108 <param name="considered_hits" value="0"/> | |
1109 <param name="min_support" value="0.0"/> | |
1110 <param name="count_empty" value="false"/> | |
1111 <param name="keep_old_scores" value="false"/> | |
1112 </section> | |
1113 <section name="PEPIons"> | |
1114 <param name="mass_tolerance" value="0.5"/> | |
1115 <param name="min_shared" value="2"/> | |
1116 </section> | |
1117 <section name="PEPMatrix"> | |
1118 <param name="matrix" value="identity"/> | |
1119 <param name="penalty" value="5"/> | |
1120 </section> | |
1121 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1122 <output name="ctd_out" ftype="xml"> | |
1123 <assert_contents> | |
1124 <is_valid_xml/> | |
1125 </assert_contents> | |
1126 </output> | |
1127 </test> | |
1128 <test expect_num_outputs="2"> | |
1129 <conditional name="adv_opts_cond"> | |
1130 <param name="adv_opts_selector" value="advanced"/> | |
1131 <param name="force" value="false"/> | |
1132 <param name="test" value="true"/> | |
1133 </conditional> | |
1134 <param name="in" value="ConsensusID_3_input.consensusXML"/> | |
1135 <output name="out" file="ConsensusID_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1136 <param name="rt_delta" value="0.1"/> | |
1137 <param name="mz_delta" value="0.1"/> | |
1138 <param name="per_spectrum" value="false"/> | |
1139 <param name="algorithm" value="best"/> | |
1140 <section name="filter"> | |
1141 <param name="considered_hits" value="0"/> | |
1142 <param name="min_support" value="0.0"/> | |
1143 <param name="count_empty" value="false"/> | |
1144 <param name="keep_old_scores" value="false"/> | |
1145 </section> | |
1146 <section name="PEPIons"> | |
1147 <param name="mass_tolerance" value="0.5"/> | |
1148 <param name="min_shared" value="2"/> | |
1149 </section> | |
1150 <section name="PEPMatrix"> | |
1151 <param name="matrix" value="identity"/> | |
1152 <param name="penalty" value="5"/> | |
1153 </section> | |
1154 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1155 <output name="ctd_out" ftype="xml"> | |
1156 <assert_contents> | |
1157 <is_valid_xml/> | |
1158 </assert_contents> | |
1159 </output> | |
1160 </test> | |
1161 <test expect_num_outputs="2"> | |
1162 <conditional name="adv_opts_cond"> | |
1163 <param name="adv_opts_selector" value="advanced"/> | |
1164 <param name="force" value="false"/> | |
1165 <param name="test" value="true"/> | |
1166 </conditional> | |
1167 <param name="in" value="ConsensusID_1_input.idXML"/> | |
1168 <output name="out" file="ConsensusID_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1169 <param name="rt_delta" value="0.1"/> | |
1170 <param name="mz_delta" value="0.1"/> | |
1171 <param name="per_spectrum" value="false"/> | |
1172 <param name="algorithm" value="PEPMatrix"/> | |
1173 <section name="filter"> | |
1174 <param name="considered_hits" value="6"/> | |
1175 <param name="min_support" value="0.0"/> | |
1176 <param name="count_empty" value="false"/> | |
1177 <param name="keep_old_scores" value="false"/> | |
1178 </section> | |
1179 <section name="PEPIons"> | |
1180 <param name="mass_tolerance" value="0.5"/> | |
1181 <param name="min_shared" value="2"/> | |
1182 </section> | |
1183 <section name="PEPMatrix"> | |
1184 <param name="matrix" value="identity"/> | |
1185 <param name="penalty" value="5"/> | |
1186 </section> | |
1187 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1188 <output name="ctd_out" ftype="xml"> | |
1189 <assert_contents> | |
1190 <is_valid_xml/> | |
1191 </assert_contents> | |
1192 </output> | |
1193 </test> | |
1194 <test expect_num_outputs="2"> | |
1195 <conditional name="adv_opts_cond"> | |
1196 <param name="adv_opts_selector" value="advanced"/> | |
1197 <param name="force" value="false"/> | |
1198 <param name="test" value="true"/> | |
1199 </conditional> | |
1200 <param name="in" value="ConsensusID_1_input.idXML"/> | |
1201 <output name="out" file="ConsensusID_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1202 <param name="rt_delta" value="0.1"/> | |
1203 <param name="mz_delta" value="0.1"/> | |
1204 <param name="per_spectrum" value="false"/> | |
1205 <param name="algorithm" value="PEPIons"/> | |
1206 <section name="filter"> | |
1207 <param name="considered_hits" value="0"/> | |
1208 <param name="min_support" value="0.0"/> | |
1209 <param name="count_empty" value="false"/> | |
1210 <param name="keep_old_scores" value="false"/> | |
1211 </section> | |
1212 <section name="PEPIons"> | |
1213 <param name="mass_tolerance" value="0.5"/> | |
1214 <param name="min_shared" value="2"/> | |
1215 </section> | |
1216 <section name="PEPMatrix"> | |
1217 <param name="matrix" value="identity"/> | |
1218 <param name="penalty" value="5"/> | |
1219 </section> | |
1220 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1221 <output name="ctd_out" ftype="xml"> | |
1222 <assert_contents> | |
1223 <is_valid_xml/> | |
1224 </assert_contents> | |
1225 </output> | |
1226 </test> | |
1227 <test expect_num_outputs="2"> | |
1228 <conditional name="adv_opts_cond"> | |
1229 <param name="adv_opts_selector" value="advanced"/> | |
1230 <param name="force" value="false"/> | |
1231 <param name="test" value="true"/> | |
1232 </conditional> | |
1233 <param name="in" value="ConsensusID_1_input.idXML"/> | |
1234 <output name="out" file="ConsensusID_6_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1235 <param name="rt_delta" value="0.1"/> | |
1236 <param name="mz_delta" value="0.1"/> | |
1237 <param name="per_spectrum" value="false"/> | |
1238 <param name="algorithm" value="best"/> | |
1239 <section name="filter"> | |
1240 <param name="considered_hits" value="0"/> | |
1241 <param name="min_support" value="0.5"/> | |
1242 <param name="count_empty" value="false"/> | |
1243 <param name="keep_old_scores" value="false"/> | |
1244 </section> | |
1245 <section name="PEPIons"> | |
1246 <param name="mass_tolerance" value="0.5"/> | |
1247 <param name="min_shared" value="2"/> | |
1248 </section> | |
1249 <section name="PEPMatrix"> | |
1250 <param name="matrix" value="identity"/> | |
1251 <param name="penalty" value="5"/> | |
1252 </section> | |
1253 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1254 <output name="ctd_out" ftype="xml"> | |
1255 <assert_contents> | |
1256 <is_valid_xml/> | |
1257 </assert_contents> | |
1258 </output> | |
1259 </test> | |
1260 <test expect_num_outputs="2"> | |
1261 <conditional name="adv_opts_cond"> | |
1262 <param name="adv_opts_selector" value="advanced"/> | |
1263 <param name="force" value="false"/> | |
1264 <param name="test" value="true"/> | |
1265 </conditional> | |
1266 <param name="in" value="ConsensusID_6_input.idXML"/> | |
1267 <output name="out" file="ConsensusID_7_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1268 <param name="rt_delta" value="0.1"/> | |
1269 <param name="mz_delta" value="0.1"/> | |
1270 <param name="per_spectrum" value="true"/> | |
1271 <param name="algorithm" value="best"/> | |
1272 <section name="filter"> | |
1273 <param name="considered_hits" value="0"/> | |
1274 <param name="min_support" value="0.0"/> | |
1275 <param name="count_empty" value="false"/> | |
1276 <param name="keep_old_scores" value="true"/> | |
1277 </section> | |
1278 <section name="PEPIons"> | |
1279 <param name="mass_tolerance" value="0.5"/> | |
1280 <param name="min_shared" value="2"/> | |
1281 </section> | |
1282 <section name="PEPMatrix"> | |
1283 <param name="matrix" value="identity"/> | |
1284 <param name="penalty" value="5"/> | |
1285 </section> | |
1286 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1287 <output name="ctd_out" ftype="xml"> | |
1288 <assert_contents> | |
1289 <is_valid_xml/> | |
1290 </assert_contents> | |
1291 </output> | |
1292 </test> | |
1293 <test expect_num_outputs="2"> | |
1294 <conditional name="adv_opts_cond"> | |
1295 <param name="adv_opts_selector" value="advanced"/> | |
1296 <param name="force" value="false"/> | |
1297 <param name="test" value="true"/> | |
1298 </conditional> | |
1299 <param name="in" value="ConsensusID_8_input.idXML"/> | |
1300 <output name="out" file="ConsensusID_8_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1301 <param name="rt_delta" value="0.1"/> | |
1302 <param name="mz_delta" value="0.1"/> | |
1303 <param name="per_spectrum" value="true"/> | |
1304 <param name="algorithm" value="best"/> | |
1305 <section name="filter"> | |
1306 <param name="considered_hits" value="0"/> | |
1307 <param name="min_support" value="0.0"/> | |
1308 <param name="count_empty" value="false"/> | |
1309 <param name="keep_old_scores" value="true"/> | |
1310 </section> | |
1311 <section name="PEPIons"> | |
1312 <param name="mass_tolerance" value="0.5"/> | |
1313 <param name="min_shared" value="2"/> | |
1314 </section> | |
1315 <section name="PEPMatrix"> | |
1316 <param name="matrix" value="identity"/> | |
1317 <param name="penalty" value="5"/> | |
1318 </section> | |
1319 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1320 <output name="ctd_out" ftype="xml"> | |
1321 <assert_contents> | |
1322 <is_valid_xml/> | |
1323 </assert_contents> | |
1324 </output> | |
1325 </test> | |
1326 </xml> | |
1327 <xml name="autotest_ConsensusMapNormalizer"> | |
1328 <test expect_num_outputs="2"> | |
1329 <conditional name="adv_opts_cond"> | |
1330 <param name="adv_opts_selector" value="advanced"/> | |
1331 <param name="accession_filter" value=""/> | |
1332 <param name="description_filter" value=""/> | |
1333 <param name="force" value="false"/> | |
1334 <param name="test" value="true"/> | |
1335 </conditional> | |
1336 <param name="in" value="ConsensusMapNormalizer_input.consensusXML"/> | |
1337 <output name="out" file="ConsensusMapNormalizer_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1338 <param name="algorithm_type" value="robust_regression"/> | |
1339 <param name="ratio_threshold" value="0.67"/> | |
1340 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1341 <output name="ctd_out" ftype="xml"> | |
1342 <assert_contents> | |
1343 <is_valid_xml/> | |
1344 </assert_contents> | |
1345 </output> | |
1346 </test> | |
1347 </xml> | |
1348 <xml name="autotest_CruxAdapter"> | |
1349 <test expect_num_outputs="2"> | |
1350 <conditional name="adv_opts_cond"> | |
1351 <param name="adv_opts_selector" value="advanced"/> | |
1352 <param name="custom_enzyme" value=""/> | |
1353 <param name="decoy_prefix" value="decoy_"/> | |
1354 <param name="deisotope" value="false"/> | |
1355 <param name="report_decoys" value="false"/> | |
1356 <param name="force" value="false"/> | |
1357 <param name="test" value="true"/> | |
1358 </conditional> | |
1359 <param name="in" value="spectra_comet.mzML"/> | |
1360 <output name="out" file="CruxAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1361 <param name="database" value="proteins.fasta"/> | |
1362 <param name="extra_index_args" value=""/> | |
1363 <param name="extra_search_args" value=""/> | |
1364 <param name="extra_percolator_args" value=""/> | |
1365 <param name="precursor_mass_tolerance" value="10.0"/> | |
1366 <param name="precursor_mass_units" value="ppm"/> | |
1367 <param name="fragment_bin_offset" value="0.0"/> | |
1368 <param name="fragment_bin_width" value="0.02"/> | |
1369 <param name="isotope_error" value=""/> | |
1370 <param name="run_percolator" value="false"/> | |
1371 <param name="enzyme" value="trypsin"/> | |
1372 <param name="digestion" value="full-digest"/> | |
1373 <param name="allowed_missed_cleavages" value="0"/> | |
1374 <param name="decoy_format" value="peptide-reverse"/> | |
1375 <param name="keep_terminal_aminos" value="NC"/> | |
1376 <param name="cterm_modifications" value=""/> | |
1377 <param name="nterm_modifications" value=""/> | |
1378 <param name="modifications" value=""/> | |
1379 <param name="test_fdr" value="0.01"/> | |
1380 <param name="train_fdr" value="0.01"/> | |
1381 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1382 <output name="ctd_out" ftype="xml"> | |
1383 <assert_contents> | |
1384 <is_valid_xml/> | |
1385 </assert_contents> | |
1386 </output> | |
1387 </test> | |
1388 </xml> | |
1389 <xml name="autotest_CVInspector"> | |
1390 </xml> | |
1391 <xml name="autotest_DatabaseFilter"> | |
1392 <test expect_num_outputs="2"> | |
1393 <conditional name="adv_opts_cond"> | |
1394 <param name="adv_opts_selector" value="advanced"/> | |
1395 <param name="force" value="false"/> | |
1396 <param name="test" value="true"/> | |
1397 </conditional> | |
1398 <param name="in" value="DatabaseFilter_1.fasta"/> | |
1399 <param name="id" value="DatabaseFilter_1.idXML"/> | |
1400 <param name="method" value="whitelist"/> | |
1401 <output name="out" file="DatabaseFilter_1_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1402 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1403 <output name="ctd_out" ftype="xml"> | |
1404 <assert_contents> | |
1405 <is_valid_xml/> | |
1406 </assert_contents> | |
1407 </output> | |
1408 </test> | |
1409 <test expect_num_outputs="2"> | |
1410 <conditional name="adv_opts_cond"> | |
1411 <param name="adv_opts_selector" value="advanced"/> | |
1412 <param name="force" value="false"/> | |
1413 <param name="test" value="true"/> | |
1414 </conditional> | |
1415 <param name="in" value="DatabaseFilter_1.fasta"/> | |
1416 <param name="id" value="DatabaseFilter_1.idXML"/> | |
1417 <param name="method" value="blacklist"/> | |
1418 <output name="out" file="DatabaseFilter_2_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1419 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1420 <output name="ctd_out" ftype="xml"> | |
1421 <assert_contents> | |
1422 <is_valid_xml/> | |
1423 </assert_contents> | |
1424 </output> | |
1425 </test> | |
1426 <test expect_num_outputs="2"> | |
1427 <conditional name="adv_opts_cond"> | |
1428 <param name="adv_opts_selector" value="advanced"/> | |
1429 <param name="force" value="false"/> | |
1430 <param name="test" value="true"/> | |
1431 </conditional> | |
1432 <param name="in" value="DatabaseFilter_3.fasta"/> | |
1433 <param name="id" value="DatabaseFilter_3.mzid"/> | |
1434 <param name="method" value="whitelist"/> | |
1435 <output name="out" file="DatabaseFilter_3_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1436 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1437 <output name="ctd_out" ftype="xml"> | |
1438 <assert_contents> | |
1439 <is_valid_xml/> | |
1440 </assert_contents> | |
1441 </output> | |
1442 </test> | |
1443 <test expect_num_outputs="2"> | |
1444 <conditional name="adv_opts_cond"> | |
1445 <param name="adv_opts_selector" value="advanced"/> | |
1446 <param name="force" value="false"/> | |
1447 <param name="test" value="true"/> | |
1448 </conditional> | |
1449 <param name="in" value="DatabaseFilter_3.fasta"/> | |
1450 <param name="id" value="DatabaseFilter_3.mzid"/> | |
1451 <param name="method" value="blacklist"/> | |
1452 <output name="out" file="DatabaseFilter_4_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1453 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1454 <output name="ctd_out" ftype="xml"> | |
1455 <assert_contents> | |
1456 <is_valid_xml/> | |
1457 </assert_contents> | |
1458 </output> | |
1459 </test> | |
1460 </xml> | |
1461 <xml name="autotest_DatabaseSuitability"> | |
1462 <test expect_num_outputs="2"> | |
1463 <conditional name="adv_opts_cond"> | |
1464 <param name="adv_opts_selector" value="advanced"/> | |
1465 <param name="force" value="false"/> | |
1466 <param name="test" value="true"/> | |
1467 </conditional> | |
1468 <param name="in_id" value="DatabaseSuitability_in_id.idXML"/> | |
1469 <param name="in_spec" value="DatabaseSuitability_in_spec.mzML"/> | |
1470 <param name="in_novo" value="DatabaseSuitability_in_novo.idXML"/> | |
1471 <output name="out" file="DatabaseSuitability_out_1.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
1472 <section name="algorithm"> | |
1473 <param name="no_rerank" value="false"/> | |
1474 <param name="reranking_cutoff_percentile" value="0.01"/> | |
1475 <param name="FDR" value="0.8"/> | |
1476 </section> | |
1477 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
1478 <output name="ctd_out" ftype="xml"> | |
1479 <assert_contents> | |
1480 <is_valid_xml/> | |
1481 </assert_contents> | |
1482 </output> | |
1483 </test> | |
1484 <test expect_num_outputs="2"> | |
1485 <conditional name="adv_opts_cond"> | |
1486 <param name="adv_opts_selector" value="advanced"/> | |
1487 <param name="force" value="false"/> | |
1488 <param name="test" value="true"/> | |
1489 </conditional> | |
1490 <param name="in_id" value="DatabaseSuitability_in_id.idXML"/> | |
1491 <param name="in_spec" value="DatabaseSuitability_in_spec.mzML"/> | |
1492 <param name="in_novo" value="DatabaseSuitability_in_novo.idXML"/> | |
1493 <output name="out" file="DatabaseSuitability_out_2.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
1494 <section name="algorithm"> | |
1495 <param name="no_rerank" value="false"/> | |
1496 <param name="reranking_cutoff_percentile" value="0.9"/> | |
1497 <param name="FDR" value="1.0"/> | |
1498 </section> | |
1499 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
1500 <output name="ctd_out" ftype="xml"> | |
1501 <assert_contents> | |
1502 <is_valid_xml/> | |
1503 </assert_contents> | |
1504 </output> | |
1505 </test> | |
1506 <test expect_num_outputs="2"> | |
1507 <conditional name="adv_opts_cond"> | |
1508 <param name="adv_opts_selector" value="advanced"/> | |
1509 <param name="force" value="false"/> | |
1510 <param name="test" value="true"/> | |
1511 </conditional> | |
1512 <param name="in_id" value="DatabaseSuitability_in_id.idXML"/> | |
1513 <param name="in_spec" value="DatabaseSuitability_in_spec.mzML"/> | |
1514 <param name="in_novo" value="DatabaseSuitability_in_novo.idXML"/> | |
1515 <output name="out" file="DatabaseSuitability_out_3.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
1516 <section name="algorithm"> | |
1517 <param name="no_rerank" value="true"/> | |
1518 <param name="reranking_cutoff_percentile" value="0.01"/> | |
1519 <param name="FDR" value="0.9"/> | |
1520 </section> | |
1521 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
1522 <output name="ctd_out" ftype="xml"> | |
1523 <assert_contents> | |
1524 <is_valid_xml/> | |
1525 </assert_contents> | |
1526 </output> | |
1527 </test> | |
1528 </xml> | |
1529 <xml name="autotest_Decharger"> | |
1530 <test expect_num_outputs="4"> | |
1531 <conditional name="adv_opts_cond"> | |
1532 <param name="adv_opts_selector" value="advanced"/> | |
1533 <param name="force" value="false"/> | |
1534 <param name="test" value="true"/> | |
1535 </conditional> | |
1536 <param name="in" value="Decharger_input.featureXML"/> | |
1537 <output name="out_cm" file="Decharger_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1538 <output name="out_fm" file="Decharger_output_fm.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
1539 <output name="outpairs" file="Decharger_p_output.tmp" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1540 <section name="algorithm"> | |
1541 <section name="FeatureDeconvolution"> | |
1542 <param name="charge_min" value="1"/> | |
1543 <param name="charge_max" value="10"/> | |
1544 <param name="charge_span_max" value="4"/> | |
1545 <param name="q_try" value="feature"/> | |
1546 <param name="retention_max_diff" value="1.0"/> | |
1547 <param name="retention_max_diff_local" value="1.0"/> | |
1548 <param name="mass_max_diff" value="0.1"/> | |
1549 <param name="potential_adducts" value=""H:+:0.7" "Na:+:0.1" "(2)H4H-4:0:0.1:-2:heavy""/> | |
1550 <param name="max_neutrals" value="0"/> | |
1551 <param name="max_minority_bound" value="2"/> | |
1552 <param name="min_rt_overlap" value="0.66"/> | |
1553 <param name="intensity_filter" value="false"/> | |
1554 <param name="negative_mode" value="false"/> | |
1555 <param name="default_map_label" value="decharged features"/> | |
1556 <param name="verbose_level" value="0"/> | |
1557 </section> | |
1558 </section> | |
1559 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_fm_FLAG,outpairs_FLAG"/> | |
1560 <output name="ctd_out" ftype="xml"> | |
1561 <assert_contents> | |
1562 <is_valid_xml/> | |
1563 </assert_contents> | |
1564 </output> | |
1565 </test> | |
1566 </xml> | |
1567 <xml name="autotest_DecoyDatabase"> | |
1568 <test expect_num_outputs="2"> | |
1569 <conditional name="adv_opts_cond"> | |
1570 <param name="adv_opts_selector" value="advanced"/> | |
1571 <param name="shuffle_max_attempts" value="30"/> | |
1572 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
1573 <param name="seed" value="1"/> | |
1574 <param name="force" value="false"/> | |
1575 <param name="test" value="true"/> | |
1576 </conditional> | |
1577 <param name="in" value="DecoyDatabase_1.fasta"/> | |
1578 <output name="out" file="DecoyDatabase_1_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1579 <param name="decoy_string" value="DECOY_"/> | |
1580 <param name="decoy_string_position" value="prefix"/> | |
1581 <param name="only_decoy" value="true"/> | |
1582 <param name="type" value="protein"/> | |
1583 <param name="method" value="reverse"/> | |
1584 <param name="enzyme" value="Trypsin"/> | |
1585 <section name="Decoy"> | |
1586 <param name="non_shuffle_pattern" value=""/> | |
1587 <param name="keepPeptideNTerm" value="true"/> | |
1588 <param name="keepPeptideCTerm" value="true"/> | |
1589 </section> | |
1590 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1591 <output name="ctd_out" ftype="xml"> | |
1592 <assert_contents> | |
1593 <is_valid_xml/> | |
1594 </assert_contents> | |
1595 </output> | |
1596 </test> | |
1597 <test expect_num_outputs="2"> | |
1598 <conditional name="adv_opts_cond"> | |
1599 <param name="adv_opts_selector" value="advanced"/> | |
1600 <param name="shuffle_max_attempts" value="30"/> | |
1601 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
1602 <param name="seed" value="42"/> | |
1603 <param name="force" value="false"/> | |
1604 <param name="test" value="true"/> | |
1605 </conditional> | |
1606 <param name="in" value="DecoyDatabase_1.fasta"/> | |
1607 <output name="out" file="DecoyDatabase_2_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1608 <param name="decoy_string" value="blabla"/> | |
1609 <param name="decoy_string_position" value="prefix"/> | |
1610 <param name="only_decoy" value="false"/> | |
1611 <param name="type" value="protein"/> | |
1612 <param name="method" value="shuffle"/> | |
1613 <param name="enzyme" value="Trypsin"/> | |
1614 <section name="Decoy"> | |
1615 <param name="non_shuffle_pattern" value="KRP"/> | |
1616 <param name="keepPeptideNTerm" value="true"/> | |
1617 <param name="keepPeptideCTerm" value="true"/> | |
1618 </section> | |
1619 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1620 <output name="ctd_out" ftype="xml"> | |
1621 <assert_contents> | |
1622 <is_valid_xml/> | |
1623 </assert_contents> | |
1624 </output> | |
1625 </test> | |
1626 <test expect_num_outputs="2"> | |
1627 <conditional name="adv_opts_cond"> | |
1628 <param name="adv_opts_selector" value="advanced"/> | |
1629 <param name="shuffle_max_attempts" value="30"/> | |
1630 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
1631 <param name="seed" value="42"/> | |
1632 <param name="force" value="false"/> | |
1633 <param name="test" value="true"/> | |
1634 </conditional> | |
1635 <param name="in" value="DecoyDatabase_1.fasta"/> | |
1636 <output name="out" file="DecoyDatabase_3_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1637 <param name="decoy_string" value="blabla"/> | |
1638 <param name="decoy_string_position" value="prefix"/> | |
1639 <param name="only_decoy" value="false"/> | |
1640 <param name="type" value="protein"/> | |
1641 <param name="method" value="shuffle"/> | |
1642 <param name="enzyme" value="Chymotrypsin"/> | |
1643 <section name="Decoy"> | |
1644 <param name="non_shuffle_pattern" value="KR"/> | |
1645 <param name="keepPeptideNTerm" value="true"/> | |
1646 <param name="keepPeptideCTerm" value="true"/> | |
1647 </section> | |
1648 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1649 <output name="ctd_out" ftype="xml"> | |
1650 <assert_contents> | |
1651 <is_valid_xml/> | |
1652 </assert_contents> | |
1653 </output> | |
1654 </test> | |
1655 <test expect_num_outputs="2"> | |
1656 <conditional name="adv_opts_cond"> | |
1657 <param name="adv_opts_selector" value="advanced"/> | |
1658 <param name="shuffle_max_attempts" value="30"/> | |
1659 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
1660 <param name="seed" value="42"/> | |
1661 <param name="force" value="false"/> | |
1662 <param name="test" value="true"/> | |
1663 </conditional> | |
1664 <param name="in" value="DecoyDatabase_4.fasta"/> | |
1665 <output name="out" file="DecoyDatabase_4_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1666 <param name="decoy_string" value="blabla"/> | |
1667 <param name="decoy_string_position" value="prefix"/> | |
1668 <param name="only_decoy" value="false"/> | |
1669 <param name="type" value="RNA"/> | |
1670 <param name="method" value="reverse"/> | |
1671 <param name="enzyme" value="Trypsin"/> | |
1672 <section name="Decoy"> | |
1673 <param name="non_shuffle_pattern" value=""/> | |
1674 <param name="keepPeptideNTerm" value="true"/> | |
1675 <param name="keepPeptideCTerm" value="true"/> | |
1676 </section> | |
1677 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1678 <output name="ctd_out" ftype="xml"> | |
1679 <assert_contents> | |
1680 <is_valid_xml/> | |
1681 </assert_contents> | |
1682 </output> | |
1683 </test> | |
1684 </xml> | |
1685 <xml name="autotest_DeMeanderize"> | |
1686 </xml> | |
1687 <xml name="autotest_DigestorMotif"> | |
1688 </xml> | |
1689 <xml name="autotest_Digestor"> | |
1690 </xml> | |
1691 <xml name="autotest_DTAExtractor"> | |
1692 <test expect_num_outputs="1"> | |
1693 <conditional name="adv_opts_cond"> | |
1694 <param name="adv_opts_selector" value="advanced"/> | |
1695 <param name="force" value="false"/> | |
1696 <param name="test" value="true"/> | |
1697 </conditional> | |
1698 <param name="in" value="DTAExtractor_1_input.mzML"/> | |
1699 <param name="out" value="DTAExtractor"/> | |
1700 <param name="mz" value=":"/> | |
1701 <param name="rt" value=":61"/> | |
1702 <param name="level" value="1,2,3"/> | |
1703 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1704 <output name="ctd_out" ftype="xml"> | |
1705 <assert_contents> | |
1706 <is_valid_xml/> | |
1707 </assert_contents> | |
1708 </output> | |
1709 </test> | |
1710 <test expect_num_outputs="1"> | |
1711 <conditional name="adv_opts_cond"> | |
1712 <param name="adv_opts_selector" value="advanced"/> | |
1713 <param name="force" value="false"/> | |
1714 <param name="test" value="true"/> | |
1715 </conditional> | |
1716 <param name="in" value="DTAExtractor_1_input.mzML"/> | |
1717 <param name="out" value="DTAExtractor"/> | |
1718 <param name="mz" value=":"/> | |
1719 <param name="rt" value=":"/> | |
1720 <param name="level" value="1"/> | |
1721 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1722 <output name="ctd_out" ftype="xml"> | |
1723 <assert_contents> | |
1724 <is_valid_xml/> | |
1725 </assert_contents> | |
1726 </output> | |
1727 </test> | |
1728 <test expect_num_outputs="1"> | |
1729 <conditional name="adv_opts_cond"> | |
1730 <param name="adv_opts_selector" value="advanced"/> | |
1731 <param name="force" value="false"/> | |
1732 <param name="test" value="true"/> | |
1733 </conditional> | |
1734 <param name="in" value="DTAExtractor_1_input.mzML"/> | |
1735 <param name="out" value="DTAExtractor"/> | |
1736 <param name="mz" value=":1000"/> | |
1737 <param name="rt" value=":"/> | |
1738 <param name="level" value="2"/> | |
1739 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1740 <output name="ctd_out" ftype="xml"> | |
1741 <assert_contents> | |
1742 <is_valid_xml/> | |
1743 </assert_contents> | |
1744 </output> | |
1745 </test> | |
1746 </xml> | |
1747 <xml name="autotest_EICExtractor"> | |
1748 </xml> | |
1749 <xml name="autotest_Epifany"> | |
1750 <test expect_num_outputs="2"> | |
1751 <conditional name="adv_opts_cond"> | |
1752 <param name="adv_opts_selector" value="advanced"/> | |
1753 <param name="conservative_fdr" value="true"/> | |
1754 <param name="min_psms_extreme_probability" value="0.0"/> | |
1755 <param name="force" value="false"/> | |
1756 <param name="test" value="true"/> | |
1757 </conditional> | |
1758 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
1759 <output name="out" file="Epifany_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1760 <param name="out_type" value="idxml"/> | |
1761 <param name="protein_fdr" value="false"/> | |
1762 <param name="greedy_group_resolution" value="none"/> | |
1763 <param name="max_psms_extreme_probability" value="1.0"/> | |
1764 <section name="algorithm"> | |
1765 <param name="psm_probability_cutoff" value="0.001"/> | |
1766 <param name="top_PSMs" value="1"/> | |
1767 <param name="keep_best_PSM_only" value="true"/> | |
1768 <param name="update_PSM_probabilities" value="true"/> | |
1769 <param name="user_defined_priors" value="false"/> | |
1770 <param name="annotate_group_probabilities" value="true"/> | |
1771 <param name="use_ids_outside_features" value="false"/> | |
1772 <section name="model_parameters"> | |
1773 <param name="prot_prior" value="0.7"/> | |
1774 <param name="pep_emission" value="0.1"/> | |
1775 <param name="pep_spurious_emission" value="0.001"/> | |
1776 <param name="pep_prior" value="0.1"/> | |
1777 <param name="regularize" value="false"/> | |
1778 <param name="extended_model" value="false"/> | |
1779 </section> | |
1780 <section name="loopy_belief_propagation"> | |
1781 <param name="scheduling_type" value="priority"/> | |
1782 <param name="convergence_threshold" value="1e-05"/> | |
1783 <param name="dampening_lambda" value="0.001"/> | |
1784 <param name="max_nr_iterations" value="2147483647"/> | |
1785 <param name="p_norm_inference" value="1.0"/> | |
1786 </section> | |
1787 <section name="param_optimize"> | |
1788 <param name="aucweight" value="0.3"/> | |
1789 <param name="conservative_fdr" value="true"/> | |
1790 <param name="regularized_fdr" value="true"/> | |
1791 </section> | |
1792 </section> | |
1793 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1794 <output name="ctd_out" ftype="xml"> | |
1795 <assert_contents> | |
1796 <is_valid_xml/> | |
1797 </assert_contents> | |
1798 </output> | |
1799 </test> | |
1800 <test expect_num_outputs="2"> | |
1801 <conditional name="adv_opts_cond"> | |
1802 <param name="adv_opts_selector" value="advanced"/> | |
1803 <param name="conservative_fdr" value="true"/> | |
1804 <param name="min_psms_extreme_probability" value="0.0"/> | |
1805 <param name="force" value="false"/> | |
1806 <param name="test" value="true"/> | |
1807 </conditional> | |
1808 <param name="in" value="Epifany_2_input.consensusXML"/> | |
1809 <output name="out" file="Epifany_2_out.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1810 <param name="out_type" value="consensusXML"/> | |
1811 <param name="protein_fdr" value="false"/> | |
1812 <param name="greedy_group_resolution" value="none"/> | |
1813 <param name="max_psms_extreme_probability" value="1.0"/> | |
1814 <section name="algorithm"> | |
1815 <param name="psm_probability_cutoff" value="0.001"/> | |
1816 <param name="top_PSMs" value="1"/> | |
1817 <param name="keep_best_PSM_only" value="true"/> | |
1818 <param name="update_PSM_probabilities" value="true"/> | |
1819 <param name="user_defined_priors" value="false"/> | |
1820 <param name="annotate_group_probabilities" value="true"/> | |
1821 <param name="use_ids_outside_features" value="false"/> | |
1822 <section name="model_parameters"> | |
1823 <param name="prot_prior" value="0.7"/> | |
1824 <param name="pep_emission" value="0.1"/> | |
1825 <param name="pep_spurious_emission" value="0.001"/> | |
1826 <param name="pep_prior" value="0.1"/> | |
1827 <param name="regularize" value="false"/> | |
1828 <param name="extended_model" value="false"/> | |
1829 </section> | |
1830 <section name="loopy_belief_propagation"> | |
1831 <param name="scheduling_type" value="priority"/> | |
1832 <param name="convergence_threshold" value="1e-05"/> | |
1833 <param name="dampening_lambda" value="0.001"/> | |
1834 <param name="max_nr_iterations" value="2147483647"/> | |
1835 <param name="p_norm_inference" value="1.0"/> | |
1836 </section> | |
1837 <section name="param_optimize"> | |
1838 <param name="aucweight" value="0.3"/> | |
1839 <param name="conservative_fdr" value="true"/> | |
1840 <param name="regularized_fdr" value="true"/> | |
1841 </section> | |
1842 </section> | |
1843 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1844 <output name="ctd_out" ftype="xml"> | |
1845 <assert_contents> | |
1846 <is_valid_xml/> | |
1847 </assert_contents> | |
1848 </output> | |
1849 </test> | |
1850 <test expect_num_outputs="2"> | |
1851 <conditional name="adv_opts_cond"> | |
1852 <param name="adv_opts_selector" value="advanced"/> | |
1853 <param name="conservative_fdr" value="true"/> | |
1854 <param name="min_psms_extreme_probability" value="0.0"/> | |
1855 <param name="force" value="false"/> | |
1856 <param name="test" value="true"/> | |
1857 </conditional> | |
1858 <param name="in" value="Epifany_2_input.consensusXML"/> | |
1859 <output name="out" file="Epifany_3_out.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1860 <param name="out_type" value="consensusXML"/> | |
1861 <param name="protein_fdr" value="false"/> | |
1862 <param name="greedy_group_resolution" value="none"/> | |
1863 <param name="max_psms_extreme_probability" value="1.0"/> | |
1864 <section name="algorithm"> | |
1865 <param name="psm_probability_cutoff" value="0.001"/> | |
1866 <param name="top_PSMs" value="1"/> | |
1867 <param name="keep_best_PSM_only" value="false"/> | |
1868 <param name="update_PSM_probabilities" value="true"/> | |
1869 <param name="user_defined_priors" value="false"/> | |
1870 <param name="annotate_group_probabilities" value="true"/> | |
1871 <param name="use_ids_outside_features" value="false"/> | |
1872 <section name="model_parameters"> | |
1873 <param name="prot_prior" value="0.7"/> | |
1874 <param name="pep_emission" value="0.1"/> | |
1875 <param name="pep_spurious_emission" value="0.001"/> | |
1876 <param name="pep_prior" value="0.1"/> | |
1877 <param name="regularize" value="false"/> | |
1878 <param name="extended_model" value="false"/> | |
1879 </section> | |
1880 <section name="loopy_belief_propagation"> | |
1881 <param name="scheduling_type" value="priority"/> | |
1882 <param name="convergence_threshold" value="1e-05"/> | |
1883 <param name="dampening_lambda" value="0.001"/> | |
1884 <param name="max_nr_iterations" value="2147483647"/> | |
1885 <param name="p_norm_inference" value="1.0"/> | |
1886 </section> | |
1887 <section name="param_optimize"> | |
1888 <param name="aucweight" value="0.3"/> | |
1889 <param name="conservative_fdr" value="true"/> | |
1890 <param name="regularized_fdr" value="true"/> | |
1891 </section> | |
1892 </section> | |
1893 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1894 <output name="ctd_out" ftype="xml"> | |
1895 <assert_contents> | |
1896 <is_valid_xml/> | |
1897 </assert_contents> | |
1898 </output> | |
1899 </test> | |
1900 </xml> | |
1901 <xml name="autotest_ERPairFinder"> | |
1902 </xml> | |
1903 <xml name="autotest_ExternalCalibration"> | |
1904 <test expect_num_outputs="2"> | |
1905 <conditional name="adv_opts_cond"> | |
1906 <param name="adv_opts_selector" value="advanced"/> | |
1907 <param name="force" value="false"/> | |
1908 <param name="test" value="true"/> | |
1909 </conditional> | |
1910 <param name="in" value="ExternalCalibration_1_input.mzML"/> | |
1911 <output name="out" file="ExternalCalibration_1_MS1_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
1912 <param name="offset" value="-5.5"/> | |
1913 <param name="slope" value="0.0001"/> | |
1914 <param name="power" value="0.0"/> | |
1915 <param name="ms_level" value="1"/> | |
1916 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1917 <output name="ctd_out" ftype="xml"> | |
1918 <assert_contents> | |
1919 <is_valid_xml/> | |
1920 </assert_contents> | |
1921 </output> | |
1922 </test> | |
1923 <test expect_num_outputs="2"> | |
1924 <conditional name="adv_opts_cond"> | |
1925 <param name="adv_opts_selector" value="advanced"/> | |
1926 <param name="force" value="false"/> | |
1927 <param name="test" value="true"/> | |
1928 </conditional> | |
1929 <param name="in" value="ExternalCalibration_1_input.mzML"/> | |
1930 <output name="out" file="ExternalCalibration_2_MS2_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
1931 <param name="offset" value="-5.5"/> | |
1932 <param name="slope" value="0.0001"/> | |
1933 <param name="power" value="0.0"/> | |
1934 <param name="ms_level" value="2"/> | |
1935 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1936 <output name="ctd_out" ftype="xml"> | |
1937 <assert_contents> | |
1938 <is_valid_xml/> | |
1939 </assert_contents> | |
1940 </output> | |
1941 </test> | |
1942 </xml> | |
1943 <xml name="autotest_FalseDiscoveryRate"> | |
1944 <test expect_num_outputs="2"> | |
1945 <conditional name="adv_opts_cond"> | |
1946 <param name="adv_opts_selector" value="advanced"/> | |
1947 <param name="force" value="false"/> | |
1948 <param name="test" value="true"/> | |
1949 </conditional> | |
1950 <param name="in" value="FalseDiscoveryRate_OMSSA.idXML"/> | |
1951 <output name="out" file="FalseDiscoveryRate_output_1.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1952 <param name="PSM" value="true"/> | |
1953 <param name="protein" value="false"/> | |
1954 <section name="FDR"> | |
1955 <param name="PSM" value="1.0"/> | |
1956 <param name="protein" value="1.0"/> | |
1957 <section name="cleanup"> | |
1958 <param name="remove_proteins_without_psms" value="true"/> | |
1959 <param name="remove_psms_without_proteins" value="true"/> | |
1960 <param name="remove_spectra_without_psms" value="true"/> | |
1961 </section> | |
1962 </section> | |
1963 <section name="algorithm"> | |
1964 <param name="no_qvalues" value="false"/> | |
1965 <param name="use_all_hits" value="false"/> | |
1966 <param name="split_charge_variants" value="false"/> | |
1967 <param name="treat_runs_separately" value="false"/> | |
1968 <param name="add_decoy_peptides" value="false"/> | |
1969 <param name="add_decoy_proteins" value="false"/> | |
1970 <param name="conservative" value="true"/> | |
1971 </section> | |
1972 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1973 <output name="ctd_out" ftype="xml"> | |
1974 <assert_contents> | |
1975 <is_valid_xml/> | |
1976 </assert_contents> | |
1977 </output> | |
1978 </test> | |
1979 <test expect_num_outputs="2"> | |
1980 <conditional name="adv_opts_cond"> | |
1981 <param name="adv_opts_selector" value="advanced"/> | |
1982 <param name="force" value="false"/> | |
1983 <param name="test" value="true"/> | |
1984 </conditional> | |
1985 <param name="in" value="FalseDiscoveryRate_OMSSA.idXML"/> | |
1986 <output name="out" file="FalseDiscoveryRate_output_2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1987 <param name="PSM" value="true"/> | |
1988 <param name="protein" value="false"/> | |
1989 <section name="FDR"> | |
1990 <param name="PSM" value="1.0"/> | |
1991 <param name="protein" value="1.0"/> | |
1992 <section name="cleanup"> | |
1993 <param name="remove_proteins_without_psms" value="true"/> | |
1994 <param name="remove_psms_without_proteins" value="true"/> | |
1995 <param name="remove_spectra_without_psms" value="true"/> | |
1996 </section> | |
1997 </section> | |
1998 <section name="algorithm"> | |
1999 <param name="no_qvalues" value="false"/> | |
2000 <param name="use_all_hits" value="false"/> | |
2001 <param name="split_charge_variants" value="false"/> | |
2002 <param name="treat_runs_separately" value="true"/> | |
2003 <param name="add_decoy_peptides" value="false"/> | |
2004 <param name="add_decoy_proteins" value="false"/> | |
2005 <param name="conservative" value="true"/> | |
2006 </section> | |
2007 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2008 <output name="ctd_out" ftype="xml"> | |
2009 <assert_contents> | |
2010 <is_valid_xml/> | |
2011 </assert_contents> | |
2012 </output> | |
2013 </test> | |
2014 <test expect_num_outputs="2"> | |
2015 <conditional name="adv_opts_cond"> | |
2016 <param name="adv_opts_selector" value="advanced"/> | |
2017 <param name="force" value="false"/> | |
2018 <param name="test" value="true"/> | |
2019 </conditional> | |
2020 <param name="in" value="FalseDiscoveryRate_OMSSA.idXML"/> | |
2021 <output name="out" file="FalseDiscoveryRate_output_3.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
2022 <param name="PSM" value="true"/> | |
2023 <param name="protein" value="false"/> | |
2024 <section name="FDR"> | |
2025 <param name="PSM" value="1.0"/> | |
2026 <param name="protein" value="1.0"/> | |
2027 <section name="cleanup"> | |
2028 <param name="remove_proteins_without_psms" value="true"/> | |
2029 <param name="remove_psms_without_proteins" value="true"/> | |
2030 <param name="remove_spectra_without_psms" value="true"/> | |
2031 </section> | |
2032 </section> | |
2033 <section name="algorithm"> | |
2034 <param name="no_qvalues" value="false"/> | |
2035 <param name="use_all_hits" value="false"/> | |
2036 <param name="split_charge_variants" value="true"/> | |
2037 <param name="treat_runs_separately" value="false"/> | |
2038 <param name="add_decoy_peptides" value="false"/> | |
2039 <param name="add_decoy_proteins" value="false"/> | |
2040 <param name="conservative" value="true"/> | |
2041 </section> | |
2042 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2043 <output name="ctd_out" ftype="xml"> | |
2044 <assert_contents> | |
2045 <is_valid_xml/> | |
2046 </assert_contents> | |
2047 </output> | |
2048 </test> | |
2049 <test expect_num_outputs="2"> | |
2050 <conditional name="adv_opts_cond"> | |
2051 <param name="adv_opts_selector" value="advanced"/> | |
2052 <param name="force" value="false"/> | |
2053 <param name="test" value="true"/> | |
2054 </conditional> | |
2055 <param name="in" value="FalseDiscoveryRate_OMSSA_4.idXML"/> | |
2056 <output name="out" file="FalseDiscoveryRate_output_4.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
2057 <param name="PSM" value="true"/> | |
2058 <param name="protein" value="false"/> | |
2059 <section name="FDR"> | |
2060 <param name="PSM" value="1.0"/> | |
2061 <param name="protein" value="1.0"/> | |
2062 <section name="cleanup"> | |
2063 <param name="remove_proteins_without_psms" value="true"/> | |
2064 <param name="remove_psms_without_proteins" value="true"/> | |
2065 <param name="remove_spectra_without_psms" value="true"/> | |
2066 </section> | |
2067 </section> | |
2068 <section name="algorithm"> | |
2069 <param name="no_qvalues" value="false"/> | |
2070 <param name="use_all_hits" value="false"/> | |
2071 <param name="split_charge_variants" value="true"/> | |
2072 <param name="treat_runs_separately" value="false"/> | |
2073 <param name="add_decoy_peptides" value="false"/> | |
2074 <param name="add_decoy_proteins" value="false"/> | |
2075 <param name="conservative" value="true"/> | |
2076 </section> | |
2077 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2078 <output name="ctd_out" ftype="xml"> | |
2079 <assert_contents> | |
2080 <is_valid_xml/> | |
2081 </assert_contents> | |
2082 </output> | |
2083 </test> | |
2084 <test expect_num_outputs="2"> | |
2085 <conditional name="adv_opts_cond"> | |
2086 <param name="adv_opts_selector" value="advanced"/> | |
2087 <param name="force" value="true"/> | |
2088 <param name="test" value="true"/> | |
2089 </conditional> | |
2090 <param name="in" value="FalseDiscoveryRate_5_input.idXML"/> | |
2091 <output name="out" file="FalseDiscoveryRate_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
2092 <param name="PSM" value="false"/> | |
2093 <param name="protein" value="true"/> | |
2094 <section name="FDR"> | |
2095 <param name="PSM" value="1.0"/> | |
2096 <param name="protein" value="1.0"/> | |
2097 <section name="cleanup"> | |
2098 <param name="remove_proteins_without_psms" value="true"/> | |
2099 <param name="remove_psms_without_proteins" value="true"/> | |
2100 <param name="remove_spectra_without_psms" value="true"/> | |
2101 </section> | |
2102 </section> | |
2103 <section name="algorithm"> | |
2104 <param name="no_qvalues" value="false"/> | |
2105 <param name="use_all_hits" value="false"/> | |
2106 <param name="split_charge_variants" value="false"/> | |
2107 <param name="treat_runs_separately" value="false"/> | |
2108 <param name="add_decoy_peptides" value="false"/> | |
2109 <param name="add_decoy_proteins" value="true"/> | |
2110 <param name="conservative" value="true"/> | |
2111 </section> | |
2112 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2113 <output name="ctd_out" ftype="xml"> | |
2114 <assert_contents> | |
2115 <is_valid_xml/> | |
2116 </assert_contents> | |
2117 </output> | |
2118 </test> | |
2119 <test expect_num_outputs="2"> | |
2120 <conditional name="adv_opts_cond"> | |
2121 <param name="adv_opts_selector" value="advanced"/> | |
2122 <param name="force" value="false"/> | |
2123 <param name="test" value="true"/> | |
2124 </conditional> | |
2125 <param name="in" value="FalseDiscoveryRate_6_input.idXML"/> | |
2126 <output name="out" file="FalseDiscoveryRate_6_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
2127 <param name="PSM" value="true"/> | |
2128 <param name="protein" value="false"/> | |
2129 <section name="FDR"> | |
2130 <param name="PSM" value="0.05"/> | |
2131 <param name="protein" value="1.0"/> | |
2132 <section name="cleanup"> | |
2133 <param name="remove_proteins_without_psms" value="true"/> | |
2134 <param name="remove_psms_without_proteins" value="true"/> | |
2135 <param name="remove_spectra_without_psms" value="true"/> | |
2136 </section> | |
2137 </section> | |
2138 <section name="algorithm"> | |
2139 <param name="no_qvalues" value="false"/> | |
2140 <param name="use_all_hits" value="false"/> | |
2141 <param name="split_charge_variants" value="false"/> | |
2142 <param name="treat_runs_separately" value="false"/> | |
2143 <param name="add_decoy_peptides" value="false"/> | |
2144 <param name="add_decoy_proteins" value="false"/> | |
2145 <param name="conservative" value="true"/> | |
2146 </section> | |
2147 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2148 <output name="ctd_out" ftype="xml"> | |
2149 <assert_contents> | |
2150 <is_valid_xml/> | |
2151 </assert_contents> | |
2152 </output> | |
2153 </test> | |
2154 <test expect_num_outputs="2"> | |
2155 <conditional name="adv_opts_cond"> | |
2156 <param name="adv_opts_selector" value="advanced"/> | |
2157 <param name="force" value="true"/> | |
2158 <param name="test" value="true"/> | |
2159 </conditional> | |
2160 <param name="in" value="FalseDiscoveryRate_7_input.idXML"/> | |
2161 <output name="out" file="FalseDiscoveryRate_7_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
2162 <param name="PSM" value="false"/> | |
2163 <param name="protein" value="true"/> | |
2164 <section name="FDR"> | |
2165 <param name="PSM" value="1.0"/> | |
2166 <param name="protein" value="0.3"/> | |
2167 <section name="cleanup"> | |
2168 <param name="remove_proteins_without_psms" value="true"/> | |
2169 <param name="remove_psms_without_proteins" value="true"/> | |
2170 <param name="remove_spectra_without_psms" value="true"/> | |
2171 </section> | |
2172 </section> | |
2173 <section name="algorithm"> | |
2174 <param name="no_qvalues" value="false"/> | |
2175 <param name="use_all_hits" value="false"/> | |
2176 <param name="split_charge_variants" value="false"/> | |
2177 <param name="treat_runs_separately" value="false"/> | |
2178 <param name="add_decoy_peptides" value="false"/> | |
2179 <param name="add_decoy_proteins" value="false"/> | |
2180 <param name="conservative" value="true"/> | |
2181 </section> | |
2182 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2183 <output name="ctd_out" ftype="xml"> | |
2184 <assert_contents> | |
2185 <is_valid_xml/> | |
2186 </assert_contents> | |
2187 </output> | |
2188 </test> | |
2189 </xml> | |
2190 <xml name="autotest_FeatureFinderCentroided"> | |
2191 <test expect_num_outputs="2"> | |
2192 <conditional name="adv_opts_cond"> | |
2193 <param name="adv_opts_selector" value="advanced"/> | |
2194 <param name="force" value="false"/> | |
2195 <param name="test" value="true"/> | |
2196 <param name="pseudo_rt_shift" value="500.0"/> | |
2197 </conditional> | |
2198 <param name="in" value="FeatureFinderCentroided_1_input.mzML"/> | |
2199 <output name="out" file="FeatureFinderCentroided_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2200 <section name="algorithm"> | |
2201 <section name="intensity"> | |
2202 <param name="bins" value="1"/> | |
2203 </section> | |
2204 <section name="mass_trace"> | |
2205 <param name="mz_tolerance" value="0.02"/> | |
2206 <param name="min_spectra" value="14"/> | |
2207 <param name="max_missing" value="1"/> | |
2208 <param name="slope_bound" value="0.1"/> | |
2209 </section> | |
2210 <section name="isotopic_pattern"> | |
2211 <param name="charge_low" value="2"/> | |
2212 <param name="charge_high" value="2"/> | |
2213 <param name="mz_tolerance" value="0.02"/> | |
2214 <param name="intensity_percentage" value="10.0"/> | |
2215 <param name="intensity_percentage_optional" value="0.1"/> | |
2216 <param name="optional_fit_improvement" value="2.0"/> | |
2217 <param name="mass_window_width" value="100.0"/> | |
2218 <param name="abundance_12C" value="98.93"/> | |
2219 <param name="abundance_14N" value="99.632"/> | |
2220 </section> | |
2221 <section name="seed"> | |
2222 <param name="min_score" value="0.8"/> | |
2223 </section> | |
2224 <section name="fit"> | |
2225 <param name="max_iterations" value="500"/> | |
2226 </section> | |
2227 <section name="feature"> | |
2228 <param name="min_score" value="0.7"/> | |
2229 <param name="min_isotope_fit" value="0.8"/> | |
2230 <param name="min_trace_score" value="0.5"/> | |
2231 <param name="min_rt_span" value="0.333"/> | |
2232 <param name="max_rt_span" value="2.5"/> | |
2233 <param name="rt_shape" value="symmetric"/> | |
2234 <param name="max_intersection" value="0.35"/> | |
2235 <param name="reported_mz" value="monoisotopic"/> | |
2236 </section> | |
2237 <section name="user-seed"> | |
2238 <param name="rt_tolerance" value="5.0"/> | |
2239 <param name="mz_tolerance" value="1.1"/> | |
2240 <param name="min_score" value="0.5"/> | |
2241 </section> | |
2242 </section> | |
2243 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2244 <output name="ctd_out" ftype="xml"> | |
2245 <assert_contents> | |
2246 <is_valid_xml/> | |
2247 </assert_contents> | |
2248 </output> | |
2249 </test> | |
2250 </xml> | |
2251 <xml name="autotest_FeatureFinderIdentification"> | |
2252 <test expect_num_outputs="2"> | |
2253 <conditional name="adv_opts_cond"> | |
2254 <param name="adv_opts_selector" value="advanced"/> | |
2255 <param name="force" value="false"/> | |
2256 <param name="test" value="true"/> | |
2257 </conditional> | |
2258 <param name="in" value="FeatureFinderIdentification_1_input.mzML"/> | |
2259 <param name="id" value="FeatureFinderIdentification_1_input.idXML"/> | |
2260 <output name="out" file="FeatureFinderIdentification_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2261 <section name="extract"> | |
2262 <param name="batch_size" value="1000"/> | |
2263 <param name="mz_window" value="0.1"/> | |
2264 <param name="n_isotopes" value="2"/> | |
2265 <param name="isotope_pmin" value="0.0"/> | |
2266 <param name="rt_quantile" value="0.95"/> | |
2267 <param name="rt_window" value="0.0"/> | |
2268 </section> | |
2269 <section name="detect"> | |
2270 <param name="peak_width" value="60.0"/> | |
2271 <param name="min_peak_width" value="0.2"/> | |
2272 <param name="signal_to_noise" value="0.8"/> | |
2273 <param name="mapping_tolerance" value="0.0"/> | |
2274 </section> | |
2275 <section name="svm"> | |
2276 <param name="samples" value="0"/> | |
2277 <param name="no_selection" value="false"/> | |
2278 <param name="kernel" value="RBF"/> | |
2279 <param name="xval" value="5"/> | |
2280 <param name="log2_C" value="-5.0 -3.0 -1.0 1.0 3.0 5.0 7.0 9.0 11.0 13.0 15.0"/> | |
2281 <param name="log2_gamma" value="-15.0 -13.0 -11.0 -9.0 -7.0 -5.0 -3.0 -1.0 1.0 3.0"/> | |
2282 <param name="epsilon" value="0.001"/> | |
2283 <param name="cache_size" value="100.0"/> | |
2284 <param name="no_shrinking" value="false"/> | |
2285 <param name="predictors" value="peak_apices_sum,var_xcorr_coelution,var_xcorr_shape,var_library_sangle,var_intensity_score,sn_ratio,var_log_sn_score,var_elution_model_fit_score,xx_lda_prelim_score,var_isotope_correlation_score,var_isotope_overlap_score,var_massdev_score,main_var_xx_swath_prelim_score"/> | |
2286 <param name="min_prob" value="0.0"/> | |
2287 </section> | |
2288 <section name="model"> | |
2289 <param name="type" value="none"/> | |
2290 <param name="add_zeros" value="0.2"/> | |
2291 <param name="unweighted_fit" value="false"/> | |
2292 <param name="no_imputation" value="false"/> | |
2293 <param name="each_trace" value="false"/> | |
2294 <section name="check"> | |
2295 <param name="min_area" value="1.0"/> | |
2296 <param name="boundaries" value="0.5"/> | |
2297 <param name="width" value="10.0"/> | |
2298 <param name="asymmetry" value="10.0"/> | |
2299 </section> | |
2300 </section> | |
2301 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2302 <output name="ctd_out" ftype="xml"> | |
2303 <assert_contents> | |
2304 <is_valid_xml/> | |
2305 </assert_contents> | |
2306 </output> | |
2307 </test> | |
2308 <test expect_num_outputs="2"> | |
2309 <conditional name="adv_opts_cond"> | |
2310 <param name="adv_opts_selector" value="advanced"/> | |
2311 <param name="force" value="false"/> | |
2312 <param name="test" value="true"/> | |
2313 </conditional> | |
2314 <param name="in" value="FeatureFinderIdentification_1_input.mzML"/> | |
2315 <param name="id" value="FeatureFinderIdentification_1_input.idXML"/> | |
2316 <output name="out" file="FeatureFinderIdentification_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2317 <section name="extract"> | |
2318 <param name="batch_size" value="1000"/> | |
2319 <param name="mz_window" value="0.1"/> | |
2320 <param name="n_isotopes" value="2"/> | |
2321 <param name="isotope_pmin" value="0.0"/> | |
2322 <param name="rt_quantile" value="0.95"/> | |
2323 <param name="rt_window" value="0.0"/> | |
2324 </section> | |
2325 <section name="detect"> | |
2326 <param name="peak_width" value="60.0"/> | |
2327 <param name="min_peak_width" value="0.2"/> | |
2328 <param name="signal_to_noise" value="0.8"/> | |
2329 <param name="mapping_tolerance" value="0.0"/> | |
2330 </section> | |
2331 <section name="svm"> | |
2332 <param name="samples" value="0"/> | |
2333 <param name="no_selection" value="false"/> | |
2334 <param name="kernel" value="RBF"/> | |
2335 <param name="xval" value="5"/> | |
2336 <param name="log2_C" value="-5.0 -3.0 -1.0 1.0 3.0 5.0 7.0 9.0 11.0 13.0 15.0"/> | |
2337 <param name="log2_gamma" value="-15.0 -13.0 -11.0 -9.0 -7.0 -5.0 -3.0 -1.0 1.0 3.0"/> | |
2338 <param name="epsilon" value="0.001"/> | |
2339 <param name="cache_size" value="100.0"/> | |
2340 <param name="no_shrinking" value="false"/> | |
2341 <param name="predictors" value="peak_apices_sum,var_xcorr_coelution,var_xcorr_shape,var_library_sangle,var_intensity_score,sn_ratio,var_log_sn_score,var_elution_model_fit_score,xx_lda_prelim_score,var_isotope_correlation_score,var_isotope_overlap_score,var_massdev_score,main_var_xx_swath_prelim_score"/> | |
2342 <param name="min_prob" value="0.0"/> | |
2343 </section> | |
2344 <section name="model"> | |
2345 <param name="type" value="symmetric"/> | |
2346 <param name="add_zeros" value="0.2"/> | |
2347 <param name="unweighted_fit" value="false"/> | |
2348 <param name="no_imputation" value="false"/> | |
2349 <param name="each_trace" value="false"/> | |
2350 <section name="check"> | |
2351 <param name="min_area" value="1.0"/> | |
2352 <param name="boundaries" value="0.5"/> | |
2353 <param name="width" value="10.0"/> | |
2354 <param name="asymmetry" value="10.0"/> | |
2355 </section> | |
2356 </section> | |
2357 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2358 <output name="ctd_out" ftype="xml"> | |
2359 <assert_contents> | |
2360 <is_valid_xml/> | |
2361 </assert_contents> | |
2362 </output> | |
2363 </test> | |
2364 </xml> | |
2365 <xml name="autotest_FeatureFinderIsotopeWavelet"> | |
2366 </xml> | |
2367 <xml name="autotest_FeatureFinderMetaboIdent"> | |
2368 <test expect_num_outputs="2"> | |
2369 <conditional name="adv_opts_cond"> | |
2370 <param name="adv_opts_selector" value="advanced"/> | |
2371 <param name="force" value="false"/> | |
2372 <param name="test" value="true"/> | |
2373 </conditional> | |
2374 <param name="in" value="FeatureFinderMetaboIdent_1_input.mzML"/> | |
2375 <param name="id" value="FeatureFinderMetaboIdent_1_input.tsv" ftype="tabular"/> | |
2376 <output name="out" file="FeatureFinderMetaboIdent_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2377 <section name="extract"> | |
2378 <param name="mz_window" value="5.0"/> | |
2379 <param name="n_isotopes" value="2"/> | |
2380 <param name="isotope_pmin" value="0.0"/> | |
2381 <param name="rt_window" value="20.0"/> | |
2382 </section> | |
2383 <section name="detect"> | |
2384 <param name="peak_width" value="3.0"/> | |
2385 <param name="min_peak_width" value="0.2"/> | |
2386 <param name="signal_to_noise" value="0.8"/> | |
2387 </section> | |
2388 <section name="model"> | |
2389 <param name="type" value="symmetric"/> | |
2390 <param name="add_zeros" value="0.2"/> | |
2391 <param name="unweighted_fit" value="false"/> | |
2392 <param name="no_imputation" value="false"/> | |
2393 <param name="each_trace" value="false"/> | |
2394 <section name="check"> | |
2395 <param name="min_area" value="1.0"/> | |
2396 <param name="boundaries" value="0.5"/> | |
2397 <param name="width" value="10.0"/> | |
2398 <param name="asymmetry" value="10.0"/> | |
2399 </section> | |
2400 </section> | |
2401 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2402 <output name="ctd_out" ftype="xml"> | |
2403 <assert_contents> | |
2404 <is_valid_xml/> | |
2405 </assert_contents> | |
2406 </output> | |
2407 </test> | |
2408 </xml> | |
2409 <xml name="autotest_FeatureFinderMetabo"> | |
2410 <test expect_num_outputs="2"> | |
2411 <conditional name="adv_opts_cond"> | |
2412 <param name="adv_opts_selector" value="advanced"/> | |
2413 <param name="force" value="false"/> | |
2414 <param name="test" value="true"/> | |
2415 </conditional> | |
2416 <param name="in" value="FeatureFinderMetabo_1_input.mzML"/> | |
2417 <output name="out" file="FeatureFinderMetabo_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2418 <section name="algorithm"> | |
2419 <section name="common"> | |
2420 <param name="noise_threshold_int" value="10.0"/> | |
2421 <param name="chrom_peak_snr" value="3.0"/> | |
2422 <param name="chrom_fwhm" value="5.0"/> | |
2423 </section> | |
2424 <section name="mtd"> | |
2425 <param name="mass_error_ppm" value="20.0"/> | |
2426 <param name="reestimate_mt_sd" value="true"/> | |
2427 <param name="quant_method" value="area"/> | |
2428 <param name="trace_termination_criterion" value="outlier"/> | |
2429 <param name="trace_termination_outliers" value="5"/> | |
2430 <param name="min_sample_rate" value="0.5"/> | |
2431 <param name="min_trace_length" value="5.0"/> | |
2432 <param name="max_trace_length" value="300.0"/> | |
2433 </section> | |
2434 <section name="epd"> | |
2435 <param name="enabled" value="true"/> | |
2436 <param name="width_filtering" value="off"/> | |
2437 <param name="min_fwhm" value="3.0"/> | |
2438 <param name="max_fwhm" value="60.0"/> | |
2439 <param name="masstrace_snr_filtering" value="false"/> | |
2440 </section> | |
2441 <section name="ffm"> | |
2442 <param name="local_rt_range" value="10.0"/> | |
2443 <param name="local_mz_range" value="6.5"/> | |
2444 <param name="charge_lower_bound" value="1"/> | |
2445 <param name="charge_upper_bound" value="3"/> | |
2446 <param name="report_summed_ints" value="false"/> | |
2447 <param name="enable_RT_filtering" value="true"/> | |
2448 <param name="isotope_filtering_model" value="metabolites (5% RMS)"/> | |
2449 <param name="mz_scoring_13C" value="true"/> | |
2450 <param name="use_smoothed_intensities" value="true"/> | |
2451 <param name="report_convex_hulls" value="false"/> | |
2452 <param name="remove_single_traces" value="false"/> | |
2453 <param name="mz_scoring_by_elements" value="false"/> | |
2454 <param name="elements" value="CHNOPS"/> | |
2455 </section> | |
2456 </section> | |
2457 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2458 <output name="ctd_out" ftype="xml"> | |
2459 <assert_contents> | |
2460 <is_valid_xml/> | |
2461 </assert_contents> | |
2462 </output> | |
2463 </test> | |
2464 <test expect_num_outputs="2"> | |
2465 <conditional name="adv_opts_cond"> | |
2466 <param name="adv_opts_selector" value="advanced"/> | |
2467 <param name="force" value="false"/> | |
2468 <param name="test" value="true"/> | |
2469 </conditional> | |
2470 <param name="in" value="FeatureFinderMetabo_2_input.mzML"/> | |
2471 <output name="out" file="FeatureFinderMetabo_2_noEPD_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2472 <section name="algorithm"> | |
2473 <section name="common"> | |
2474 <param name="noise_threshold_int" value="100.0"/> | |
2475 <param name="chrom_peak_snr" value="0.0"/> | |
2476 <param name="chrom_fwhm" value="100.0"/> | |
2477 </section> | |
2478 <section name="mtd"> | |
2479 <param name="mass_error_ppm" value="5.0"/> | |
2480 <param name="reestimate_mt_sd" value="true"/> | |
2481 <param name="quant_method" value="median"/> | |
2482 <param name="trace_termination_criterion" value="sample_rate"/> | |
2483 <param name="trace_termination_outliers" value="2"/> | |
2484 <param name="min_sample_rate" value="0.01"/> | |
2485 <param name="min_trace_length" value="30.0"/> | |
2486 <param name="max_trace_length" value="3000.0"/> | |
2487 </section> | |
2488 <section name="epd"> | |
2489 <param name="enabled" value="false"/> | |
2490 <param name="width_filtering" value="off"/> | |
2491 <param name="min_fwhm" value="10.0"/> | |
2492 <param name="max_fwhm" value="80.0"/> | |
2493 <param name="masstrace_snr_filtering" value="false"/> | |
2494 </section> | |
2495 <section name="ffm"> | |
2496 <param name="local_rt_range" value="10.0"/> | |
2497 <param name="local_mz_range" value="4.5"/> | |
2498 <param name="charge_lower_bound" value="1"/> | |
2499 <param name="charge_upper_bound" value="3"/> | |
2500 <param name="report_summed_ints" value="false"/> | |
2501 <param name="enable_RT_filtering" value="false"/> | |
2502 <param name="isotope_filtering_model" value="none"/> | |
2503 <param name="mz_scoring_13C" value="false"/> | |
2504 <param name="use_smoothed_intensities" value="false"/> | |
2505 <param name="report_convex_hulls" value="true"/> | |
2506 <param name="remove_single_traces" value="false"/> | |
2507 <param name="mz_scoring_by_elements" value="false"/> | |
2508 <param name="elements" value="CHNOPS"/> | |
2509 </section> | |
2510 </section> | |
2511 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2512 <output name="ctd_out" ftype="xml"> | |
2513 <assert_contents> | |
2514 <is_valid_xml/> | |
2515 </assert_contents> | |
2516 </output> | |
2517 </test> | |
2518 <test expect_num_outputs="3"> | |
2519 <conditional name="adv_opts_cond"> | |
2520 <param name="adv_opts_selector" value="advanced"/> | |
2521 <param name="force" value="false"/> | |
2522 <param name="test" value="true"/> | |
2523 </conditional> | |
2524 <param name="in" value="FeatureFinderMetabo_3_input.mzML"/> | |
2525 <output name="out" file="FeatureFinderMetabo_3.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2526 <output name="out_chrom" file="FeatureFinderMetabo_3_chrom_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
2527 <section name="algorithm"> | |
2528 <section name="common"> | |
2529 <param name="noise_threshold_int" value="10.0"/> | |
2530 <param name="chrom_peak_snr" value="3.0"/> | |
2531 <param name="chrom_fwhm" value="5.0"/> | |
2532 </section> | |
2533 <section name="mtd"> | |
2534 <param name="mass_error_ppm" value="5.0"/> | |
2535 <param name="reestimate_mt_sd" value="true"/> | |
2536 <param name="quant_method" value="area"/> | |
2537 <param name="trace_termination_criterion" value="outlier"/> | |
2538 <param name="trace_termination_outliers" value="5"/> | |
2539 <param name="min_sample_rate" value="0.5"/> | |
2540 <param name="min_trace_length" value="5.0"/> | |
2541 <param name="max_trace_length" value="-1.0"/> | |
2542 </section> | |
2543 <section name="epd"> | |
2544 <param name="enabled" value="true"/> | |
2545 <param name="width_filtering" value="fixed"/> | |
2546 <param name="min_fwhm" value="3.0"/> | |
2547 <param name="max_fwhm" value="60.0"/> | |
2548 <param name="masstrace_snr_filtering" value="false"/> | |
2549 </section> | |
2550 <section name="ffm"> | |
2551 <param name="local_rt_range" value="10.0"/> | |
2552 <param name="local_mz_range" value="6.5"/> | |
2553 <param name="charge_lower_bound" value="1"/> | |
2554 <param name="charge_upper_bound" value="3"/> | |
2555 <param name="report_summed_ints" value="false"/> | |
2556 <param name="enable_RT_filtering" value="true"/> | |
2557 <param name="isotope_filtering_model" value="none"/> | |
2558 <param name="mz_scoring_13C" value="true"/> | |
2559 <param name="use_smoothed_intensities" value="true"/> | |
2560 <param name="report_convex_hulls" value="true"/> | |
2561 <param name="remove_single_traces" value="false"/> | |
2562 <param name="mz_scoring_by_elements" value="false"/> | |
2563 <param name="elements" value="CHNOPS"/> | |
2564 </section> | |
2565 </section> | |
2566 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_chrom_FLAG"/> | |
2567 <output name="ctd_out" ftype="xml"> | |
2568 <assert_contents> | |
2569 <is_valid_xml/> | |
2570 </assert_contents> | |
2571 </output> | |
2572 </test> | |
2573 <test expect_num_outputs="3"> | |
2574 <conditional name="adv_opts_cond"> | |
2575 <param name="adv_opts_selector" value="advanced"/> | |
2576 <param name="force" value="false"/> | |
2577 <param name="test" value="true"/> | |
2578 </conditional> | |
2579 <param name="in" value="FeatureFinderMetabo_3_input.mzML"/> | |
2580 <output name="out" file="FeatureFinderMetabo_4_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2581 <output name="out_chrom" file="FeatureFinderMetabo_4_chrom_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
2582 <section name="algorithm"> | |
2583 <section name="common"> | |
2584 <param name="noise_threshold_int" value="10.0"/> | |
2585 <param name="chrom_peak_snr" value="3.0"/> | |
2586 <param name="chrom_fwhm" value="5.0"/> | |
2587 </section> | |
2588 <section name="mtd"> | |
2589 <param name="mass_error_ppm" value="5.0"/> | |
2590 <param name="reestimate_mt_sd" value="true"/> | |
2591 <param name="quant_method" value="area"/> | |
2592 <param name="trace_termination_criterion" value="outlier"/> | |
2593 <param name="trace_termination_outliers" value="5"/> | |
2594 <param name="min_sample_rate" value="0.5"/> | |
2595 <param name="min_trace_length" value="5.0"/> | |
2596 <param name="max_trace_length" value="-1.0"/> | |
2597 </section> | |
2598 <section name="epd"> | |
2599 <param name="enabled" value="true"/> | |
2600 <param name="width_filtering" value="fixed"/> | |
2601 <param name="min_fwhm" value="3.0"/> | |
2602 <param name="max_fwhm" value="60.0"/> | |
2603 <param name="masstrace_snr_filtering" value="false"/> | |
2604 </section> | |
2605 <section name="ffm"> | |
2606 <param name="local_rt_range" value="10.0"/> | |
2607 <param name="local_mz_range" value="6.5"/> | |
2608 <param name="charge_lower_bound" value="1"/> | |
2609 <param name="charge_upper_bound" value="3"/> | |
2610 <param name="report_summed_ints" value="false"/> | |
2611 <param name="enable_RT_filtering" value="true"/> | |
2612 <param name="isotope_filtering_model" value="none"/> | |
2613 <param name="mz_scoring_13C" value="true"/> | |
2614 <param name="use_smoothed_intensities" value="true"/> | |
2615 <param name="report_convex_hulls" value="true"/> | |
2616 <param name="remove_single_traces" value="true"/> | |
2617 <param name="mz_scoring_by_elements" value="false"/> | |
2618 <param name="elements" value="CHNOPS"/> | |
2619 </section> | |
2620 </section> | |
2621 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_chrom_FLAG"/> | |
2622 <output name="ctd_out" ftype="xml"> | |
2623 <assert_contents> | |
2624 <is_valid_xml/> | |
2625 </assert_contents> | |
2626 </output> | |
2627 </test> | |
2628 <test expect_num_outputs="2"> | |
2629 <conditional name="adv_opts_cond"> | |
2630 <param name="adv_opts_selector" value="advanced"/> | |
2631 <param name="force" value="false"/> | |
2632 <param name="test" value="true"/> | |
2633 </conditional> | |
2634 <param name="in" value="FeatureFinderMetabo_1_input.mzML"/> | |
2635 <output name="out" file="FeatureFinderMetabo_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2636 <section name="algorithm"> | |
2637 <section name="common"> | |
2638 <param name="noise_threshold_int" value="10.0"/> | |
2639 <param name="chrom_peak_snr" value="3.0"/> | |
2640 <param name="chrom_fwhm" value="5.0"/> | |
2641 </section> | |
2642 <section name="mtd"> | |
2643 <param name="mass_error_ppm" value="20.0"/> | |
2644 <param name="reestimate_mt_sd" value="true"/> | |
2645 <param name="quant_method" value="max_height"/> | |
2646 <param name="trace_termination_criterion" value="outlier"/> | |
2647 <param name="trace_termination_outliers" value="5"/> | |
2648 <param name="min_sample_rate" value="0.5"/> | |
2649 <param name="min_trace_length" value="5.0"/> | |
2650 <param name="max_trace_length" value="300.0"/> | |
2651 </section> | |
2652 <section name="epd"> | |
2653 <param name="enabled" value="true"/> | |
2654 <param name="width_filtering" value="off"/> | |
2655 <param name="min_fwhm" value="3.0"/> | |
2656 <param name="max_fwhm" value="60.0"/> | |
2657 <param name="masstrace_snr_filtering" value="false"/> | |
2658 </section> | |
2659 <section name="ffm"> | |
2660 <param name="local_rt_range" value="10.0"/> | |
2661 <param name="local_mz_range" value="6.5"/> | |
2662 <param name="charge_lower_bound" value="1"/> | |
2663 <param name="charge_upper_bound" value="3"/> | |
2664 <param name="report_summed_ints" value="false"/> | |
2665 <param name="enable_RT_filtering" value="true"/> | |
2666 <param name="isotope_filtering_model" value="metabolites (5% RMS)"/> | |
2667 <param name="mz_scoring_13C" value="true"/> | |
2668 <param name="use_smoothed_intensities" value="true"/> | |
2669 <param name="report_convex_hulls" value="false"/> | |
2670 <param name="remove_single_traces" value="false"/> | |
2671 <param name="mz_scoring_by_elements" value="false"/> | |
2672 <param name="elements" value="CHNOPS"/> | |
2673 </section> | |
2674 </section> | |
2675 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2676 <output name="ctd_out" ftype="xml"> | |
2677 <assert_contents> | |
2678 <is_valid_xml/> | |
2679 </assert_contents> | |
2680 </output> | |
2681 </test> | |
2682 </xml> | |
2683 <xml name="autotest_FeatureFinderMRM"> | |
2684 <test expect_num_outputs="2"> | |
2685 <conditional name="adv_opts_cond"> | |
2686 <param name="adv_opts_selector" value="advanced"/> | |
2687 <param name="force" value="false"/> | |
2688 <param name="test" value="true"/> | |
2689 </conditional> | |
2690 <param name="in" value="FeatureFinderMRM_1_input.mzML"/> | |
2691 <output name="out" file="FeatureFinderMRM_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2692 <section name="algorithm"> | |
2693 <param name="min_rt_distance" value="10.0"/> | |
2694 <param name="min_num_peaks_per_feature" value="5"/> | |
2695 <param name="min_signal_to_noise_ratio" value="2.0"/> | |
2696 <param name="write_debug_files" value="false"/> | |
2697 <param name="resample_traces" value="false"/> | |
2698 <param name="write_debuginfo" value="false"/> | |
2699 </section> | |
2700 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2701 <output name="ctd_out" ftype="xml"> | |
2702 <assert_contents> | |
2703 <is_valid_xml/> | |
2704 </assert_contents> | |
2705 </output> | |
2706 </test> | |
2707 </xml> | |
2708 <xml name="autotest_FeatureFinderMultiplex"> | |
2709 <test expect_num_outputs="3"> | |
2710 <conditional name="adv_opts_cond"> | |
2711 <param name="adv_opts_selector" value="advanced"/> | |
2712 <param name="force" value="false"/> | |
2713 <param name="test" value="true"/> | |
2714 </conditional> | |
2715 <param name="in" value="FeatureFinderMultiplex_1_input.mzML"/> | |
2716 <output name="out" file="FeatureFinderMultiplex_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2717 <output name="out_multiplets" file="FeatureFinderMultiplex_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2718 <section name="algorithm"> | |
2719 <param name="labels" value="[Dimethyl0][Dimethyl8]"/> | |
2720 <param name="charge" value="1:4"/> | |
2721 <param name="isotopes_per_peptide" value="3:6"/> | |
2722 <param name="rt_typical" value="90.0"/> | |
2723 <param name="rt_band" value="10.0"/> | |
2724 <param name="rt_min" value="5.0"/> | |
2725 <param name="mz_tolerance" value="40.0"/> | |
2726 <param name="mz_unit" value="ppm"/> | |
2727 <param name="intensity_cutoff" value="10.0"/> | |
2728 <param name="peptide_similarity" value="0.8"/> | |
2729 <param name="averagine_similarity" value="0.75"/> | |
2730 <param name="averagine_similarity_scaling" value="0.75"/> | |
2731 <param name="missed_cleavages" value="1"/> | |
2732 <param name="spectrum_type" value="automatic"/> | |
2733 <param name="averagine_type" value="peptide"/> | |
2734 <param name="knock_out" value="false"/> | |
2735 </section> | |
2736 <section name="labels"> | |
2737 <param name="Arg6" value="6.0201290268"/> | |
2738 <param name="Arg10" value="10.0082686"/> | |
2739 <param name="Lys4" value="4.0251069836"/> | |
2740 <param name="Lys6" value="6.0201290268"/> | |
2741 <param name="Lys8" value="8.0141988132"/> | |
2742 <param name="Leu3" value="3.01883"/> | |
2743 <param name="Dimethyl0" value="28.0313"/> | |
2744 <param name="Dimethyl4" value="32.056407"/> | |
2745 <param name="Dimethyl6" value="34.063117"/> | |
2746 <param name="Dimethyl8" value="36.07567"/> | |
2747 <param name="ICPL0" value="105.021464"/> | |
2748 <param name="ICPL4" value="109.046571"/> | |
2749 <param name="ICPL6" value="111.041593"/> | |
2750 <param name="ICPL10" value="115.0667"/> | |
2751 </section> | |
2752 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2753 <output name="ctd_out" ftype="xml"> | |
2754 <assert_contents> | |
2755 <is_valid_xml/> | |
2756 </assert_contents> | |
2757 </output> | |
2758 </test> | |
2759 <test expect_num_outputs="3"> | |
2760 <conditional name="adv_opts_cond"> | |
2761 <param name="adv_opts_selector" value="advanced"/> | |
2762 <param name="force" value="false"/> | |
2763 <param name="test" value="true"/> | |
2764 </conditional> | |
2765 <param name="in" value="FeatureFinderMultiplex_2_input.mzML"/> | |
2766 <output name="out" file="FeatureFinderMultiplex_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2767 <output name="out_multiplets" file="FeatureFinderMultiplex_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2768 <section name="algorithm"> | |
2769 <param name="labels" value="[][Lys8,Arg10]"/> | |
2770 <param name="charge" value="1:4"/> | |
2771 <param name="isotopes_per_peptide" value="3:6"/> | |
2772 <param name="rt_typical" value="40.0"/> | |
2773 <param name="rt_band" value="5.0"/> | |
2774 <param name="rt_min" value="2.0"/> | |
2775 <param name="mz_tolerance" value="6.0"/> | |
2776 <param name="mz_unit" value="ppm"/> | |
2777 <param name="intensity_cutoff" value="1000.0"/> | |
2778 <param name="peptide_similarity" value="0.5"/> | |
2779 <param name="averagine_similarity" value="0.4"/> | |
2780 <param name="averagine_similarity_scaling" value="0.75"/> | |
2781 <param name="missed_cleavages" value="0"/> | |
2782 <param name="spectrum_type" value="automatic"/> | |
2783 <param name="averagine_type" value="peptide"/> | |
2784 <param name="knock_out" value="false"/> | |
2785 </section> | |
2786 <section name="labels"> | |
2787 <param name="Arg6" value="6.0201290268"/> | |
2788 <param name="Arg10" value="10.0082686"/> | |
2789 <param name="Lys4" value="4.0251069836"/> | |
2790 <param name="Lys6" value="6.0201290268"/> | |
2791 <param name="Lys8" value="8.0141988132"/> | |
2792 <param name="Leu3" value="3.01883"/> | |
2793 <param name="Dimethyl0" value="28.0313"/> | |
2794 <param name="Dimethyl4" value="32.056407"/> | |
2795 <param name="Dimethyl6" value="34.063117"/> | |
2796 <param name="Dimethyl8" value="36.07567"/> | |
2797 <param name="ICPL0" value="105.021464"/> | |
2798 <param name="ICPL4" value="109.046571"/> | |
2799 <param name="ICPL6" value="111.041593"/> | |
2800 <param name="ICPL10" value="115.0667"/> | |
2801 </section> | |
2802 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2803 <output name="ctd_out" ftype="xml"> | |
2804 <assert_contents> | |
2805 <is_valid_xml/> | |
2806 </assert_contents> | |
2807 </output> | |
2808 </test> | |
2809 <test expect_num_outputs="3"> | |
2810 <conditional name="adv_opts_cond"> | |
2811 <param name="adv_opts_selector" value="advanced"/> | |
2812 <param name="force" value="false"/> | |
2813 <param name="test" value="true"/> | |
2814 </conditional> | |
2815 <param name="in" value="FeatureFinderMultiplex_3_input.mzML"/> | |
2816 <output name="out" file="FeatureFinderMultiplex_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2817 <output name="out_multiplets" file="FeatureFinderMultiplex_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2818 <section name="algorithm"> | |
2819 <param name="labels" value="[]"/> | |
2820 <param name="charge" value="5:15"/> | |
2821 <param name="isotopes_per_peptide" value="5:10"/> | |
2822 <param name="rt_typical" value="45.0"/> | |
2823 <param name="rt_band" value="5.0"/> | |
2824 <param name="rt_min" value="2.0"/> | |
2825 <param name="mz_tolerance" value="6.0"/> | |
2826 <param name="mz_unit" value="ppm"/> | |
2827 <param name="intensity_cutoff" value="200.0"/> | |
2828 <param name="peptide_similarity" value="0.5"/> | |
2829 <param name="averagine_similarity" value="0.4"/> | |
2830 <param name="averagine_similarity_scaling" value="0.75"/> | |
2831 <param name="missed_cleavages" value="0"/> | |
2832 <param name="spectrum_type" value="automatic"/> | |
2833 <param name="averagine_type" value="RNA"/> | |
2834 <param name="knock_out" value="false"/> | |
2835 </section> | |
2836 <section name="labels"> | |
2837 <param name="Arg6" value="6.0201290268"/> | |
2838 <param name="Arg10" value="10.0082686"/> | |
2839 <param name="Lys4" value="4.0251069836"/> | |
2840 <param name="Lys6" value="6.0201290268"/> | |
2841 <param name="Lys8" value="8.0141988132"/> | |
2842 <param name="Leu3" value="3.01883"/> | |
2843 <param name="Dimethyl0" value="28.0313"/> | |
2844 <param name="Dimethyl4" value="32.056407"/> | |
2845 <param name="Dimethyl6" value="34.063117"/> | |
2846 <param name="Dimethyl8" value="36.07567"/> | |
2847 <param name="ICPL0" value="105.021464"/> | |
2848 <param name="ICPL4" value="109.046571"/> | |
2849 <param name="ICPL6" value="111.041593"/> | |
2850 <param name="ICPL10" value="115.0667"/> | |
2851 </section> | |
2852 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2853 <output name="ctd_out" ftype="xml"> | |
2854 <assert_contents> | |
2855 <is_valid_xml/> | |
2856 </assert_contents> | |
2857 </output> | |
2858 </test> | |
2859 <test expect_num_outputs="3"> | |
2860 <conditional name="adv_opts_cond"> | |
2861 <param name="adv_opts_selector" value="advanced"/> | |
2862 <param name="force" value="false"/> | |
2863 <param name="test" value="true"/> | |
2864 </conditional> | |
2865 <param name="in" value="FeatureFinderMultiplex_4_input.mzML"/> | |
2866 <output name="out" file="FeatureFinderMultiplex_4_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2867 <output name="out_multiplets" file="FeatureFinderMultiplex_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2868 <section name="algorithm"> | |
2869 <param name="labels" value="[]"/> | |
2870 <param name="charge" value="5:15"/> | |
2871 <param name="isotopes_per_peptide" value="5:10"/> | |
2872 <param name="rt_typical" value="45.0"/> | |
2873 <param name="rt_band" value="5.0"/> | |
2874 <param name="rt_min" value="2.0"/> | |
2875 <param name="mz_tolerance" value="6.0"/> | |
2876 <param name="mz_unit" value="ppm"/> | |
2877 <param name="intensity_cutoff" value="200.0"/> | |
2878 <param name="peptide_similarity" value="0.5"/> | |
2879 <param name="averagine_similarity" value="0.4"/> | |
2880 <param name="averagine_similarity_scaling" value="0.75"/> | |
2881 <param name="missed_cleavages" value="0"/> | |
2882 <param name="spectrum_type" value="automatic"/> | |
2883 <param name="averagine_type" value="DNA"/> | |
2884 <param name="knock_out" value="false"/> | |
2885 </section> | |
2886 <section name="labels"> | |
2887 <param name="Arg6" value="6.0201290268"/> | |
2888 <param name="Arg10" value="10.0082686"/> | |
2889 <param name="Lys4" value="4.0251069836"/> | |
2890 <param name="Lys6" value="6.0201290268"/> | |
2891 <param name="Lys8" value="8.0141988132"/> | |
2892 <param name="Leu3" value="3.01883"/> | |
2893 <param name="Dimethyl0" value="28.0313"/> | |
2894 <param name="Dimethyl4" value="32.056407"/> | |
2895 <param name="Dimethyl6" value="34.063117"/> | |
2896 <param name="Dimethyl8" value="36.07567"/> | |
2897 <param name="ICPL0" value="105.021464"/> | |
2898 <param name="ICPL4" value="109.046571"/> | |
2899 <param name="ICPL6" value="111.041593"/> | |
2900 <param name="ICPL10" value="115.0667"/> | |
2901 </section> | |
2902 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2903 <output name="ctd_out" ftype="xml"> | |
2904 <assert_contents> | |
2905 <is_valid_xml/> | |
2906 </assert_contents> | |
2907 </output> | |
2908 </test> | |
2909 <test expect_num_outputs="3"> | |
2910 <conditional name="adv_opts_cond"> | |
2911 <param name="adv_opts_selector" value="advanced"/> | |
2912 <param name="force" value="false"/> | |
2913 <param name="test" value="true"/> | |
2914 </conditional> | |
2915 <param name="in" value="FeatureFinderMultiplex_5_input.mzML"/> | |
2916 <output name="out" file="FeatureFinderMultiplex_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2917 <output name="out_multiplets" file="FeatureFinderMultiplex_5_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2918 <section name="algorithm"> | |
2919 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> | |
2920 <param name="charge" value="1:5"/> | |
2921 <param name="isotopes_per_peptide" value="3:6"/> | |
2922 <param name="rt_typical" value="50.0"/> | |
2923 <param name="rt_band" value="3.0"/> | |
2924 <param name="rt_min" value="8.0"/> | |
2925 <param name="mz_tolerance" value="10.0"/> | |
2926 <param name="mz_unit" value="ppm"/> | |
2927 <param name="intensity_cutoff" value="10000000.0"/> | |
2928 <param name="peptide_similarity" value="0.95"/> | |
2929 <param name="averagine_similarity" value="0.8"/> | |
2930 <param name="averagine_similarity_scaling" value="0.95"/> | |
2931 <param name="missed_cleavages" value="3"/> | |
2932 <param name="spectrum_type" value="profile"/> | |
2933 <param name="averagine_type" value="peptide"/> | |
2934 <param name="knock_out" value="false"/> | |
2935 </section> | |
2936 <section name="labels"> | |
2937 <param name="Arg6" value="6.0201290268"/> | |
2938 <param name="Arg10" value="10.0082686"/> | |
2939 <param name="Lys4" value="4.0251069836"/> | |
2940 <param name="Lys6" value="6.0201290268"/> | |
2941 <param name="Lys8" value="8.0141988132"/> | |
2942 <param name="Leu3" value="3.01883"/> | |
2943 <param name="Dimethyl0" value="28.0313"/> | |
2944 <param name="Dimethyl4" value="32.056407"/> | |
2945 <param name="Dimethyl6" value="34.063117"/> | |
2946 <param name="Dimethyl8" value="36.07567"/> | |
2947 <param name="ICPL0" value="105.021464"/> | |
2948 <param name="ICPL4" value="109.046571"/> | |
2949 <param name="ICPL6" value="111.041593"/> | |
2950 <param name="ICPL10" value="115.0667"/> | |
2951 </section> | |
2952 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2953 <output name="ctd_out" ftype="xml"> | |
2954 <assert_contents> | |
2955 <is_valid_xml/> | |
2956 </assert_contents> | |
2957 </output> | |
2958 </test> | |
2959 <test expect_num_outputs="3"> | |
2960 <conditional name="adv_opts_cond"> | |
2961 <param name="adv_opts_selector" value="advanced"/> | |
2962 <param name="force" value="false"/> | |
2963 <param name="test" value="true"/> | |
2964 </conditional> | |
2965 <param name="in" value="FeatureFinderMultiplex_6_input.mzML"/> | |
2966 <output name="out" file="FeatureFinderMultiplex_6_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2967 <output name="out_multiplets" file="FeatureFinderMultiplex_6_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2968 <section name="algorithm"> | |
2969 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> | |
2970 <param name="charge" value="1:5"/> | |
2971 <param name="isotopes_per_peptide" value="3:6"/> | |
2972 <param name="rt_typical" value="50.0"/> | |
2973 <param name="rt_band" value="3.0"/> | |
2974 <param name="rt_min" value="8.0"/> | |
2975 <param name="mz_tolerance" value="10.0"/> | |
2976 <param name="mz_unit" value="ppm"/> | |
2977 <param name="intensity_cutoff" value="10000000.0"/> | |
2978 <param name="peptide_similarity" value="0.95"/> | |
2979 <param name="averagine_similarity" value="0.8"/> | |
2980 <param name="averagine_similarity_scaling" value="1.0"/> | |
2981 <param name="missed_cleavages" value="3"/> | |
2982 <param name="spectrum_type" value="profile"/> | |
2983 <param name="averagine_type" value="peptide"/> | |
2984 <param name="knock_out" value="false"/> | |
2985 </section> | |
2986 <section name="labels"> | |
2987 <param name="Arg6" value="6.0201290268"/> | |
2988 <param name="Arg10" value="10.0082686"/> | |
2989 <param name="Lys4" value="4.0251069836"/> | |
2990 <param name="Lys6" value="6.0201290268"/> | |
2991 <param name="Lys8" value="8.0141988132"/> | |
2992 <param name="Leu3" value="3.01883"/> | |
2993 <param name="Dimethyl0" value="28.0313"/> | |
2994 <param name="Dimethyl4" value="32.056407"/> | |
2995 <param name="Dimethyl6" value="34.063117"/> | |
2996 <param name="Dimethyl8" value="36.07567"/> | |
2997 <param name="ICPL0" value="105.021464"/> | |
2998 <param name="ICPL4" value="109.046571"/> | |
2999 <param name="ICPL6" value="111.041593"/> | |
3000 <param name="ICPL10" value="115.0667"/> | |
3001 </section> | |
3002 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
3003 <output name="ctd_out" ftype="xml"> | |
3004 <assert_contents> | |
3005 <is_valid_xml/> | |
3006 </assert_contents> | |
3007 </output> | |
3008 </test> | |
3009 <test expect_num_outputs="3"> | |
3010 <conditional name="adv_opts_cond"> | |
3011 <param name="adv_opts_selector" value="advanced"/> | |
3012 <param name="force" value="false"/> | |
3013 <param name="test" value="true"/> | |
3014 </conditional> | |
3015 <param name="in" value="FeatureFinderMultiplex_7_input.mzML"/> | |
3016 <output name="out" file="FeatureFinderMultiplex_7_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
3017 <output name="out_multiplets" file="FeatureFinderMultiplex_7_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3018 <section name="algorithm"> | |
3019 <param name="labels" value="[][Dimethyl4]"/> | |
3020 <param name="charge" value="1:4"/> | |
3021 <param name="isotopes_per_peptide" value="3:6"/> | |
3022 <param name="rt_typical" value="40.0"/> | |
3023 <param name="rt_band" value="5.0"/> | |
3024 <param name="rt_min" value="2.0"/> | |
3025 <param name="mz_tolerance" value="6.0"/> | |
3026 <param name="mz_unit" value="ppm"/> | |
3027 <param name="intensity_cutoff" value="1000.0"/> | |
3028 <param name="peptide_similarity" value="0.5"/> | |
3029 <param name="averagine_similarity" value="0.4"/> | |
3030 <param name="averagine_similarity_scaling" value="0.75"/> | |
3031 <param name="missed_cleavages" value="0"/> | |
3032 <param name="spectrum_type" value="automatic"/> | |
3033 <param name="averagine_type" value="peptide"/> | |
3034 <param name="knock_out" value="false"/> | |
3035 </section> | |
3036 <section name="labels"> | |
3037 <param name="Arg6" value="6.0201290268"/> | |
3038 <param name="Arg10" value="10.0082686"/> | |
3039 <param name="Lys4" value="4.0251069836"/> | |
3040 <param name="Lys6" value="6.0201290268"/> | |
3041 <param name="Lys8" value="8.0141988132"/> | |
3042 <param name="Leu3" value="3.01883"/> | |
3043 <param name="Dimethyl0" value="28.0313"/> | |
3044 <param name="Dimethyl4" value="31.0094"/> | |
3045 <param name="Dimethyl6" value="34.063117"/> | |
3046 <param name="Dimethyl8" value="36.07567"/> | |
3047 <param name="ICPL0" value="105.021464"/> | |
3048 <param name="ICPL4" value="109.046571"/> | |
3049 <param name="ICPL6" value="111.041593"/> | |
3050 <param name="ICPL10" value="115.0667"/> | |
3051 </section> | |
3052 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
3053 <output name="ctd_out" ftype="xml"> | |
3054 <assert_contents> | |
3055 <is_valid_xml/> | |
3056 </assert_contents> | |
3057 </output> | |
3058 </test> | |
3059 <test expect_num_outputs="3"> | |
3060 <conditional name="adv_opts_cond"> | |
3061 <param name="adv_opts_selector" value="advanced"/> | |
3062 <param name="force" value="false"/> | |
3063 <param name="test" value="true"/> | |
3064 </conditional> | |
3065 <param name="in" value="FeatureFinderMultiplex_8_input.mzML"/> | |
3066 <output name="out" file="FeatureFinderMultiplex_8_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
3067 <output name="out_multiplets" file="FeatureFinderMultiplex_8_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3068 <section name="algorithm"> | |
3069 <param name="labels" value="[Dimethyl0][Dimethyl4][Dimethyl8]"/> | |
3070 <param name="charge" value="1:7"/> | |
3071 <param name="isotopes_per_peptide" value="3:8"/> | |
3072 <param name="rt_typical" value="50.0"/> | |
3073 <param name="rt_band" value="3.0"/> | |
3074 <param name="rt_min" value="8.0"/> | |
3075 <param name="mz_tolerance" value="10.0"/> | |
3076 <param name="mz_unit" value="ppm"/> | |
3077 <param name="intensity_cutoff" value="10.0"/> | |
3078 <param name="peptide_similarity" value="0.2"/> | |
3079 <param name="averagine_similarity" value="0.25"/> | |
3080 <param name="averagine_similarity_scaling" value="0.95"/> | |
3081 <param name="missed_cleavages" value="4"/> | |
3082 <param name="spectrum_type" value="automatic"/> | |
3083 <param name="averagine_type" value="peptide"/> | |
3084 <param name="knock_out" value="true"/> | |
3085 </section> | |
3086 <section name="labels"> | |
3087 <param name="Arg6" value="6.0201290268"/> | |
3088 <param name="Arg10" value="10.0082686"/> | |
3089 <param name="Lys4" value="4.0251069836"/> | |
3090 <param name="Lys6" value="6.0201290268"/> | |
3091 <param name="Lys8" value="8.0141988132"/> | |
3092 <param name="Leu3" value="3.01883"/> | |
3093 <param name="Dimethyl0" value="28.0313"/> | |
3094 <param name="Dimethyl4" value="32.056407"/> | |
3095 <param name="Dimethyl6" value="34.063117"/> | |
3096 <param name="Dimethyl8" value="36.07567"/> | |
3097 <param name="ICPL0" value="105.021464"/> | |
3098 <param name="ICPL4" value="109.046571"/> | |
3099 <param name="ICPL6" value="111.041593"/> | |
3100 <param name="ICPL10" value="115.0667"/> | |
3101 </section> | |
3102 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
3103 <output name="ctd_out" ftype="xml"> | |
3104 <assert_contents> | |
3105 <is_valid_xml/> | |
3106 </assert_contents> | |
3107 </output> | |
3108 </test> | |
3109 <test expect_num_outputs="3"> | |
3110 <conditional name="adv_opts_cond"> | |
3111 <param name="adv_opts_selector" value="advanced"/> | |
3112 <param name="force" value="false"/> | |
3113 <param name="test" value="true"/> | |
3114 </conditional> | |
3115 <param name="in" value="FeatureFinderMultiplex_9_input.mzML"/> | |
3116 <output name="out" file="FeatureFinderMultiplex_9_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
3117 <output name="out_multiplets" file="FeatureFinderMultiplex_9_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3118 <section name="algorithm"> | |
3119 <param name="labels" value="[0][6.03705]"/> | |
3120 <param name="charge" value="2:8"/> | |
3121 <param name="isotopes_per_peptide" value="3:8"/> | |
3122 <param name="rt_typical" value="40.0"/> | |
3123 <param name="rt_band" value="0.0"/> | |
3124 <param name="rt_min" value="4.0"/> | |
3125 <param name="mz_tolerance" value="10.0"/> | |
3126 <param name="mz_unit" value="ppm"/> | |
3127 <param name="intensity_cutoff" value="1000.0"/> | |
3128 <param name="peptide_similarity" value="0.5"/> | |
3129 <param name="averagine_similarity" value="0.4"/> | |
3130 <param name="averagine_similarity_scaling" value="0.95"/> | |
3131 <param name="missed_cleavages" value="0"/> | |
3132 <param name="spectrum_type" value="centroid"/> | |
3133 <param name="averagine_type" value="peptide"/> | |
3134 <param name="knock_out" value="false"/> | |
3135 </section> | |
3136 <section name="labels"> | |
3137 <param name="Arg6" value="6.0201290268"/> | |
3138 <param name="Arg10" value="10.0082686"/> | |
3139 <param name="Lys4" value="4.0251069836"/> | |
3140 <param name="Lys6" value="6.0201290268"/> | |
3141 <param name="Lys8" value="8.0141988132"/> | |
3142 <param name="Leu3" value="3.01883"/> | |
3143 <param name="Dimethyl0" value="28.0313"/> | |
3144 <param name="Dimethyl4" value="32.056407"/> | |
3145 <param name="Dimethyl6" value="34.063117"/> | |
3146 <param name="Dimethyl8" value="36.07567"/> | |
3147 <param name="ICPL0" value="105.021464"/> | |
3148 <param name="ICPL4" value="109.046571"/> | |
3149 <param name="ICPL6" value="111.041593"/> | |
3150 <param name="ICPL10" value="115.0667"/> | |
3151 </section> | |
3152 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
3153 <output name="ctd_out" ftype="xml"> | |
3154 <assert_contents> | |
3155 <is_valid_xml/> | |
3156 </assert_contents> | |
3157 </output> | |
3158 </test> | |
3159 <test expect_num_outputs="3"> | |
3160 <conditional name="adv_opts_cond"> | |
3161 <param name="adv_opts_selector" value="advanced"/> | |
3162 <param name="force" value="false"/> | |
3163 <param name="test" value="true"/> | |
3164 </conditional> | |
3165 <param name="in" value="FeatureFinderMultiplex_10_input.mzML"/> | |
3166 <output name="out" file="FeatureFinderMultiplex_10_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
3167 <output name="out_multiplets" file="FeatureFinderMultiplex_10_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3168 <section name="algorithm"> | |
3169 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> | |
3170 <param name="charge" value="1:7"/> | |
3171 <param name="isotopes_per_peptide" value="3:6"/> | |
3172 <param name="rt_typical" value="50.0"/> | |
3173 <param name="rt_band" value="5.0"/> | |
3174 <param name="rt_min" value="8.0"/> | |
3175 <param name="mz_tolerance" value="6.0"/> | |
3176 <param name="mz_unit" value="ppm"/> | |
3177 <param name="intensity_cutoff" value="10.0"/> | |
3178 <param name="peptide_similarity" value="0.4"/> | |
3179 <param name="averagine_similarity" value="0.5"/> | |
3180 <param name="averagine_similarity_scaling" value="0.95"/> | |
3181 <param name="missed_cleavages" value="3"/> | |
3182 <param name="spectrum_type" value="profile"/> | |
3183 <param name="averagine_type" value="peptide"/> | |
3184 <param name="knock_out" value="true"/> | |
3185 </section> | |
3186 <section name="labels"> | |
3187 <param name="Arg6" value="6.0201290268"/> | |
3188 <param name="Arg10" value="10.0082686"/> | |
3189 <param name="Lys4" value="4.0251069836"/> | |
3190 <param name="Lys6" value="6.0201290268"/> | |
3191 <param name="Lys8" value="8.0141988132"/> | |
3192 <param name="Leu3" value="3.01883"/> | |
3193 <param name="Dimethyl0" value="28.0313"/> | |
3194 <param name="Dimethyl4" value="32.056407"/> | |
3195 <param name="Dimethyl6" value="34.063117"/> | |
3196 <param name="Dimethyl8" value="36.07567"/> | |
3197 <param name="ICPL0" value="105.021464"/> | |
3198 <param name="ICPL4" value="109.046571"/> | |
3199 <param name="ICPL6" value="111.041593"/> | |
3200 <param name="ICPL10" value="115.0667"/> | |
3201 </section> | |
3202 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
3203 <output name="ctd_out" ftype="xml"> | |
3204 <assert_contents> | |
3205 <is_valid_xml/> | |
3206 </assert_contents> | |
3207 </output> | |
3208 </test> | |
3209 <test expect_num_outputs="2"> | |
3210 <conditional name="adv_opts_cond"> | |
3211 <param name="adv_opts_selector" value="advanced"/> | |
3212 <param name="force" value="false"/> | |
3213 <param name="test" value="true"/> | |
3214 </conditional> | |
3215 <param name="in" value="FeatureFinderMultiplex_11_input.mzML"/> | |
3216 <output name="out" file="FeatureFinderMultiplex_11_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
3217 <section name="algorithm"> | |
3218 <param name="labels" value="[]"/> | |
3219 <param name="charge" value="1:4"/> | |
3220 <param name="isotopes_per_peptide" value="3:6"/> | |
3221 <param name="rt_typical" value="1e-05"/> | |
3222 <param name="rt_band" value="0.0"/> | |
3223 <param name="rt_min" value="0.0"/> | |
3224 <param name="mz_tolerance" value="10.0"/> | |
3225 <param name="mz_unit" value="ppm"/> | |
3226 <param name="intensity_cutoff" value="1000.0"/> | |
3227 <param name="peptide_similarity" value="0.5"/> | |
3228 <param name="averagine_similarity" value="0.7"/> | |
3229 <param name="averagine_similarity_scaling" value="0.95"/> | |
3230 <param name="missed_cleavages" value="0"/> | |
3231 <param name="spectrum_type" value="automatic"/> | |
3232 <param name="averagine_type" value="peptide"/> | |
3233 <param name="knock_out" value="false"/> | |
3234 </section> | |
3235 <section name="labels"> | |
3236 <param name="Arg6" value="6.0201290268"/> | |
3237 <param name="Arg10" value="10.0082686"/> | |
3238 <param name="Lys4" value="4.0251069836"/> | |
3239 <param name="Lys6" value="6.0201290268"/> | |
3240 <param name="Lys8" value="8.0141988132"/> | |
3241 <param name="Leu3" value="3.01883"/> | |
3242 <param name="Dimethyl0" value="28.0313"/> | |
3243 <param name="Dimethyl4" value="32.056407"/> | |
3244 <param name="Dimethyl6" value="34.063117"/> | |
3245 <param name="Dimethyl8" value="36.07567"/> | |
3246 <param name="ICPL0" value="105.021464"/> | |
3247 <param name="ICPL4" value="109.046571"/> | |
3248 <param name="ICPL6" value="111.041593"/> | |
3249 <param name="ICPL10" value="115.0667"/> | |
3250 </section> | |
3251 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
3252 <output name="ctd_out" ftype="xml"> | |
3253 <assert_contents> | |
3254 <is_valid_xml/> | |
3255 </assert_contents> | |
3256 </output> | |
3257 </test> | |
3258 </xml> | |
3259 <xml name="autotest_FeatureFinderSuperHirn"> | |
3260 <test expect_num_outputs="2"> | |
3261 <conditional name="adv_opts_cond"> | |
3262 <param name="adv_opts_selector" value="advanced"/> | |
3263 <param name="force" value="false"/> | |
3264 <param name="test" value="true"/> | |
3265 </conditional> | |
3266 <param name="in" value="FeatureFinderSuperHirn_input_1.mzML"/> | |
3267 <output name="out" file="FeatureFinderSuperHirn_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
3268 <section name="algorithm"> | |
3269 <section name="centroiding"> | |
3270 <param name="active" value="false"/> | |
3271 <param name="window_width" value="5"/> | |
3272 <param name="absolute_isotope_mass_precision" value="0.01"/> | |
3273 <param name="relative_isotope_mass_precision" value="10.0"/> | |
3274 <param name="minimal_peak_height" value="0.0"/> | |
3275 <param name="min_ms_signal_intensity" value="50.0"/> | |
3276 </section> | |
3277 <section name="ms1"> | |
3278 <param name="precursor_detection_scan_levels" value="1"/> | |
3279 <param name="max_inter_scan_distance" value="0"/> | |
3280 <param name="tr_resolution" value="0.01"/> | |
3281 <param name="intensity_threshold" value="1000.0"/> | |
3282 <param name="max_inter_scan_rt_distance" value="0.1"/> | |
3283 <param name="min_nb_cluster_members" value="4"/> | |
3284 <param name="detectable_isotope_factor" value="0.05"/> | |
3285 <param name="intensity_cv" value="0.9"/> | |
3286 <param name="retention_time_tolerance" value="0.5"/> | |
3287 <param name="mz_tolerance" value="0.0"/> | |
3288 </section> | |
3289 <section name="ms1_feature_merger"> | |
3290 <param name="active" value="true"/> | |
3291 <param name="tr_resolution" value="0.01"/> | |
3292 <param name="initial_apex_tr_tolerance" value="5.0"/> | |
3293 <param name="feature_merging_tr_tolerance" value="1.0"/> | |
3294 <param name="intensity_variation_percentage" value="25.0"/> | |
3295 <param name="ppm_tolerance_for_mz_clustering" value="10.0"/> | |
3296 </section> | |
3297 <section name="ms1_feature_selection_options"> | |
3298 <param name="start_elution_window" value="0.0"/> | |
3299 <param name="end_elution_window" value="180.0"/> | |
3300 <param name="mz_range_min" value="0.0"/> | |
3301 <param name="mz_range_max" value="2000.0"/> | |
3302 <param name="chrg_range_min" value="1"/> | |
3303 <param name="chrg_range_max" value="5"/> | |
3304 </section> | |
3305 </section> | |
3306 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3307 <output name="ctd_out" ftype="xml"> | |
3308 <assert_contents> | |
3309 <is_valid_xml/> | |
3310 </assert_contents> | |
3311 </output> | |
3312 </test> | |
3313 <test expect_num_outputs="2"> | |
3314 <conditional name="adv_opts_cond"> | |
3315 <param name="adv_opts_selector" value="advanced"/> | |
3316 <param name="force" value="false"/> | |
3317 <param name="test" value="true"/> | |
3318 </conditional> | |
3319 <param name="in" value="FeatureFinderSuperHirn_input_2.mzML"/> | |
3320 <output name="out" file="FeatureFinderSuperHirn_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
3321 <section name="algorithm"> | |
3322 <section name="centroiding"> | |
3323 <param name="active" value="true"/> | |
3324 <param name="window_width" value="5"/> | |
3325 <param name="absolute_isotope_mass_precision" value="0.01"/> | |
3326 <param name="relative_isotope_mass_precision" value="10.0"/> | |
3327 <param name="minimal_peak_height" value="0.0"/> | |
3328 <param name="min_ms_signal_intensity" value="50.0"/> | |
3329 </section> | |
3330 <section name="ms1"> | |
3331 <param name="precursor_detection_scan_levels" value="1"/> | |
3332 <param name="max_inter_scan_distance" value="0"/> | |
3333 <param name="tr_resolution" value="0.01"/> | |
3334 <param name="intensity_threshold" value="1000.0"/> | |
3335 <param name="max_inter_scan_rt_distance" value="0.1"/> | |
3336 <param name="min_nb_cluster_members" value="4"/> | |
3337 <param name="detectable_isotope_factor" value="0.05"/> | |
3338 <param name="intensity_cv" value="0.9"/> | |
3339 <param name="retention_time_tolerance" value="0.5"/> | |
3340 <param name="mz_tolerance" value="0.0"/> | |
3341 </section> | |
3342 <section name="ms1_feature_merger"> | |
3343 <param name="active" value="true"/> | |
3344 <param name="tr_resolution" value="0.01"/> | |
3345 <param name="initial_apex_tr_tolerance" value="5.0"/> | |
3346 <param name="feature_merging_tr_tolerance" value="1.0"/> | |
3347 <param name="intensity_variation_percentage" value="25.0"/> | |
3348 <param name="ppm_tolerance_for_mz_clustering" value="10.0"/> | |
3349 </section> | |
3350 <section name="ms1_feature_selection_options"> | |
3351 <param name="start_elution_window" value="0.0"/> | |
3352 <param name="end_elution_window" value="180.0"/> | |
3353 <param name="mz_range_min" value="0.0"/> | |
3354 <param name="mz_range_max" value="2000.0"/> | |
3355 <param name="chrg_range_min" value="1"/> | |
3356 <param name="chrg_range_max" value="5"/> | |
3357 </section> | |
3358 </section> | |
3359 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3360 <output name="ctd_out" ftype="xml"> | |
3361 <assert_contents> | |
3362 <is_valid_xml/> | |
3363 </assert_contents> | |
3364 </output> | |
3365 </test> | |
3366 </xml> | |
3367 <xml name="autotest_FeatureLinkerLabeled"> | |
3368 <test expect_num_outputs="2"> | |
3369 <conditional name="adv_opts_cond"> | |
3370 <param name="adv_opts_selector" value="advanced"/> | |
3371 <param name="force" value="false"/> | |
3372 <param name="test" value="true"/> | |
3373 </conditional> | |
3374 <param name="in" value="FeatureLinkerLabeled_1_input.featureXML"/> | |
3375 <output name="out" file="FeatureLinkerLabeled_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3376 <section name="algorithm"> | |
3377 <param name="rt_estimate" value="false"/> | |
3378 <param name="rt_pair_dist" value="-1.0"/> | |
3379 <param name="rt_dev_low" value="0.4"/> | |
3380 <param name="rt_dev_high" value="0.4"/> | |
3381 <param name="mz_pair_dists" value="8.0"/> | |
3382 <param name="mz_dev" value="0.1"/> | |
3383 <param name="mrm" value="false"/> | |
3384 </section> | |
3385 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3386 <output name="ctd_out" ftype="xml"> | |
3387 <assert_contents> | |
3388 <is_valid_xml/> | |
3389 </assert_contents> | |
3390 </output> | |
3391 </test> | |
3392 <test expect_num_outputs="2"> | |
3393 <conditional name="adv_opts_cond"> | |
3394 <param name="adv_opts_selector" value="advanced"/> | |
3395 <param name="force" value="false"/> | |
3396 <param name="test" value="true"/> | |
3397 </conditional> | |
3398 <param name="in" value="FeatureLinkerLabeled_2_input.featureXML"/> | |
3399 <output name="out" file="FeatureLinkerLabeled_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3400 <section name="algorithm"> | |
3401 <param name="rt_estimate" value="true"/> | |
3402 <param name="rt_pair_dist" value="-121.0382"/> | |
3403 <param name="rt_dev_low" value="123.3965"/> | |
3404 <param name="rt_dev_high" value="123.3965"/> | |
3405 <param name="mz_pair_dists" value="4.0"/> | |
3406 <param name="mz_dev" value="0.1"/> | |
3407 <param name="mrm" value="false"/> | |
3408 </section> | |
3409 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3410 <output name="ctd_out" ftype="xml"> | |
3411 <assert_contents> | |
3412 <is_valid_xml/> | |
3413 </assert_contents> | |
3414 </output> | |
3415 </test> | |
3416 </xml> | |
3417 <xml name="autotest_FeatureLinkerUnlabeledKD"> | |
3418 <test expect_num_outputs="2"> | |
3419 <conditional name="adv_opts_cond"> | |
3420 <param name="adv_opts_selector" value="advanced"/> | |
3421 <param name="force" value="false"/> | |
3422 <param name="test" value="true"/> | |
3423 </conditional> | |
3424 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
3425 <output name="out" file="FeatureLinkerUnlabeledKD_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3426 <param name="keep_subelements" value="false"/> | |
3427 <section name="algorithm"> | |
3428 <param name="mz_unit" value="Da"/> | |
3429 <param name="nr_partitions" value="1"/> | |
3430 <section name="warp"> | |
3431 <param name="enabled" value="false"/> | |
3432 <param name="rt_tol" value="100.0"/> | |
3433 <param name="mz_tol" value="0.3"/> | |
3434 <param name="max_pairwise_log_fc" value="0.5"/> | |
3435 <param name="min_rel_cc_size" value="0.5"/> | |
3436 <param name="max_nr_conflicts" value="0"/> | |
3437 </section> | |
3438 <section name="link"> | |
3439 <param name="rt_tol" value="100.0"/> | |
3440 <param name="mz_tol" value="0.3"/> | |
3441 <param name="charge_merging" value="With_charge_zero"/> | |
3442 <param name="adduct_merging" value="Any"/> | |
3443 </section> | |
3444 <section name="distance_RT"> | |
3445 <param name="exponent" value="1.0"/> | |
3446 <param name="weight" value="1.0"/> | |
3447 </section> | |
3448 <section name="distance_MZ"> | |
3449 <param name="exponent" value="2.0"/> | |
3450 <param name="weight" value="1.0"/> | |
3451 </section> | |
3452 <section name="distance_intensity"> | |
3453 <param name="exponent" value="1.0"/> | |
3454 <param name="weight" value="1.0"/> | |
3455 <param name="log_transform" value="enabled"/> | |
3456 </section> | |
3457 <section name="LOWESS"> | |
3458 <param name="span" value="0.666666666666667"/> | |
3459 <param name="num_iterations" value="3"/> | |
3460 <param name="delta" value="-1.0"/> | |
3461 <param name="interpolation_type" value="cspline"/> | |
3462 <param name="extrapolation_type" value="four-point-linear"/> | |
3463 </section> | |
3464 </section> | |
3465 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3466 <output name="ctd_out" ftype="xml"> | |
3467 <assert_contents> | |
3468 <is_valid_xml/> | |
3469 </assert_contents> | |
3470 </output> | |
3471 </test> | |
3472 <test expect_num_outputs="2"> | |
3473 <conditional name="adv_opts_cond"> | |
3474 <param name="adv_opts_selector" value="advanced"/> | |
3475 <param name="force" value="false"/> | |
3476 <param name="test" value="true"/> | |
3477 </conditional> | |
3478 <param name="in" value="FeatureLinkerUnlabeledKD_1_output.consensusXML,FeatureLinkerUnlabeledKD_1_output_2.consensusXML"/> | |
3479 <output name="out" file="FeatureLinkerUnlabeledKD_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3480 <param name="keep_subelements" value="true"/> | |
3481 <section name="algorithm"> | |
3482 <param name="mz_unit" value="Da"/> | |
3483 <param name="nr_partitions" value="99999"/> | |
3484 <section name="warp"> | |
3485 <param name="enabled" value="false"/> | |
3486 <param name="rt_tol" value="100.0"/> | |
3487 <param name="mz_tol" value="0.3"/> | |
3488 <param name="max_pairwise_log_fc" value="0.5"/> | |
3489 <param name="min_rel_cc_size" value="0.5"/> | |
3490 <param name="max_nr_conflicts" value="0"/> | |
3491 </section> | |
3492 <section name="link"> | |
3493 <param name="rt_tol" value="100.0"/> | |
3494 <param name="mz_tol" value="0.3"/> | |
3495 <param name="charge_merging" value="With_charge_zero"/> | |
3496 <param name="adduct_merging" value="Any"/> | |
3497 </section> | |
3498 <section name="distance_RT"> | |
3499 <param name="exponent" value="1.0"/> | |
3500 <param name="weight" value="1.0"/> | |
3501 </section> | |
3502 <section name="distance_MZ"> | |
3503 <param name="exponent" value="2.0"/> | |
3504 <param name="weight" value="1.0"/> | |
3505 </section> | |
3506 <section name="distance_intensity"> | |
3507 <param name="exponent" value="1.0"/> | |
3508 <param name="weight" value="1.0"/> | |
3509 <param name="log_transform" value="enabled"/> | |
3510 </section> | |
3511 <section name="LOWESS"> | |
3512 <param name="span" value="0.666666666666667"/> | |
3513 <param name="num_iterations" value="3"/> | |
3514 <param name="delta" value="-1.0"/> | |
3515 <param name="interpolation_type" value="cspline"/> | |
3516 <param name="extrapolation_type" value="four-point-linear"/> | |
3517 </section> | |
3518 </section> | |
3519 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3520 <output name="ctd_out" ftype="xml"> | |
3521 <assert_contents> | |
3522 <is_valid_xml/> | |
3523 </assert_contents> | |
3524 </output> | |
3525 </test> | |
3526 <test expect_num_outputs="2"> | |
3527 <conditional name="adv_opts_cond"> | |
3528 <param name="adv_opts_selector" value="advanced"/> | |
3529 <param name="force" value="false"/> | |
3530 <param name="test" value="true"/> | |
3531 </conditional> | |
3532 <param name="in" value="FeatureLinkerUnlabeledQT_3_input1.featureXML,FeatureLinkerUnlabeledQT_3_input2.featureXML"/> | |
3533 <output name="out" file="FeatureLinkerUnlabeledKD_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3534 <param name="keep_subelements" value="false"/> | |
3535 <section name="algorithm"> | |
3536 <param name="mz_unit" value="Da"/> | |
3537 <param name="nr_partitions" value="100"/> | |
3538 <section name="warp"> | |
3539 <param name="enabled" value="false"/> | |
3540 <param name="rt_tol" value="100.0"/> | |
3541 <param name="mz_tol" value="0.3"/> | |
3542 <param name="max_pairwise_log_fc" value="0.5"/> | |
3543 <param name="min_rel_cc_size" value="0.5"/> | |
3544 <param name="max_nr_conflicts" value="0"/> | |
3545 </section> | |
3546 <section name="link"> | |
3547 <param name="rt_tol" value="100.0"/> | |
3548 <param name="mz_tol" value="0.3"/> | |
3549 <param name="charge_merging" value="With_charge_zero"/> | |
3550 <param name="adduct_merging" value="Any"/> | |
3551 </section> | |
3552 <section name="distance_RT"> | |
3553 <param name="exponent" value="1.0"/> | |
3554 <param name="weight" value="1.0"/> | |
3555 </section> | |
3556 <section name="distance_MZ"> | |
3557 <param name="exponent" value="2.0"/> | |
3558 <param name="weight" value="1.0"/> | |
3559 </section> | |
3560 <section name="distance_intensity"> | |
3561 <param name="exponent" value="1.0"/> | |
3562 <param name="weight" value="1.0"/> | |
3563 <param name="log_transform" value="enabled"/> | |
3564 </section> | |
3565 <section name="LOWESS"> | |
3566 <param name="span" value="0.666666666666667"/> | |
3567 <param name="num_iterations" value="3"/> | |
3568 <param name="delta" value="-1.0"/> | |
3569 <param name="interpolation_type" value="cspline"/> | |
3570 <param name="extrapolation_type" value="four-point-linear"/> | |
3571 </section> | |
3572 </section> | |
3573 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3574 <output name="ctd_out" ftype="xml"> | |
3575 <assert_contents> | |
3576 <is_valid_xml/> | |
3577 </assert_contents> | |
3578 </output> | |
3579 </test> | |
3580 <test expect_num_outputs="2"> | |
3581 <conditional name="adv_opts_cond"> | |
3582 <param name="adv_opts_selector" value="advanced"/> | |
3583 <param name="force" value="false"/> | |
3584 <param name="test" value="true"/> | |
3585 </conditional> | |
3586 <param name="in" value="FeatureLinkerUnlabeledKD_dc_input1.featureXML,FeatureLinkerUnlabeledKD_dc_input2.featureXML,FeatureLinkerUnlabeledKD_dc_input3.featureXML,FeatureLinkerUnlabeledKD_dc_input1_2.featureXML,FeatureLinkerUnlabeledKD_dc_input2_2.featureXML"/> | |
3587 <output name="out" file="FeatureLinkerUnlabeledKD_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3588 <param name="keep_subelements" value="false"/> | |
3589 <section name="algorithm"> | |
3590 <param name="mz_unit" value="ppm"/> | |
3591 <param name="nr_partitions" value="100"/> | |
3592 <section name="warp"> | |
3593 <param name="enabled" value="true"/> | |
3594 <param name="rt_tol" value="100.0"/> | |
3595 <param name="mz_tol" value="5.0"/> | |
3596 <param name="max_pairwise_log_fc" value="0.5"/> | |
3597 <param name="min_rel_cc_size" value="0.5"/> | |
3598 <param name="max_nr_conflicts" value="0"/> | |
3599 </section> | |
3600 <section name="link"> | |
3601 <param name="rt_tol" value="30.0"/> | |
3602 <param name="mz_tol" value="10.0"/> | |
3603 <param name="charge_merging" value="Identical"/> | |
3604 <param name="adduct_merging" value="Any"/> | |
3605 </section> | |
3606 <section name="distance_RT"> | |
3607 <param name="exponent" value="1.0"/> | |
3608 <param name="weight" value="1.0"/> | |
3609 </section> | |
3610 <section name="distance_MZ"> | |
3611 <param name="exponent" value="2.0"/> | |
3612 <param name="weight" value="1.0"/> | |
3613 </section> | |
3614 <section name="distance_intensity"> | |
3615 <param name="exponent" value="1.0"/> | |
3616 <param name="weight" value="1.0"/> | |
3617 <param name="log_transform" value="enabled"/> | |
3618 </section> | |
3619 <section name="LOWESS"> | |
3620 <param name="span" value="0.666666666666667"/> | |
3621 <param name="num_iterations" value="3"/> | |
3622 <param name="delta" value="-1.0"/> | |
3623 <param name="interpolation_type" value="cspline"/> | |
3624 <param name="extrapolation_type" value="four-point-linear"/> | |
3625 </section> | |
3626 </section> | |
3627 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3628 <output name="ctd_out" ftype="xml"> | |
3629 <assert_contents> | |
3630 <is_valid_xml/> | |
3631 </assert_contents> | |
3632 </output> | |
3633 </test> | |
3634 <test expect_num_outputs="2"> | |
3635 <conditional name="adv_opts_cond"> | |
3636 <param name="adv_opts_selector" value="advanced"/> | |
3637 <param name="force" value="false"/> | |
3638 <param name="test" value="true"/> | |
3639 </conditional> | |
3640 <param name="in" value="FeatureLinkerUnlabeledKD_dc_input1.featureXML,FeatureLinkerUnlabeledKD_dc_input2.featureXML,FeatureLinkerUnlabeledKD_dc_input3.featureXML,FeatureLinkerUnlabeledKD_dc_input1_2.featureXML,FeatureLinkerUnlabeledKD_dc_input2_2.featureXML"/> | |
3641 <output name="out" file="FeatureLinkerUnlabeledKD_5_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3642 <param name="keep_subelements" value="false"/> | |
3643 <section name="algorithm"> | |
3644 <param name="mz_unit" value="ppm"/> | |
3645 <param name="nr_partitions" value="100"/> | |
3646 <section name="warp"> | |
3647 <param name="enabled" value="true"/> | |
3648 <param name="rt_tol" value="100.0"/> | |
3649 <param name="mz_tol" value="5.0"/> | |
3650 <param name="max_pairwise_log_fc" value="0.5"/> | |
3651 <param name="min_rel_cc_size" value="0.5"/> | |
3652 <param name="max_nr_conflicts" value="0"/> | |
3653 </section> | |
3654 <section name="link"> | |
3655 <param name="rt_tol" value="30.0"/> | |
3656 <param name="mz_tol" value="10.0"/> | |
3657 <param name="charge_merging" value="With_charge_zero"/> | |
3658 <param name="adduct_merging" value="Any"/> | |
3659 </section> | |
3660 <section name="distance_RT"> | |
3661 <param name="exponent" value="1.0"/> | |
3662 <param name="weight" value="1.0"/> | |
3663 </section> | |
3664 <section name="distance_MZ"> | |
3665 <param name="exponent" value="2.0"/> | |
3666 <param name="weight" value="1.0"/> | |
3667 </section> | |
3668 <section name="distance_intensity"> | |
3669 <param name="exponent" value="1.0"/> | |
3670 <param name="weight" value="1.0"/> | |
3671 <param name="log_transform" value="enabled"/> | |
3672 </section> | |
3673 <section name="LOWESS"> | |
3674 <param name="span" value="0.666666666666667"/> | |
3675 <param name="num_iterations" value="3"/> | |
3676 <param name="delta" value="-1.0"/> | |
3677 <param name="interpolation_type" value="cspline"/> | |
3678 <param name="extrapolation_type" value="four-point-linear"/> | |
3679 </section> | |
3680 </section> | |
3681 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3682 <output name="ctd_out" ftype="xml"> | |
3683 <assert_contents> | |
3684 <is_valid_xml/> | |
3685 </assert_contents> | |
3686 </output> | |
3687 </test> | |
3688 <test expect_num_outputs="2"> | |
3689 <conditional name="adv_opts_cond"> | |
3690 <param name="adv_opts_selector" value="advanced"/> | |
3691 <param name="force" value="false"/> | |
3692 <param name="test" value="true"/> | |
3693 </conditional> | |
3694 <param name="in" value="FeatureLinkerUnlabeledKD_dc_input1.featureXML,FeatureLinkerUnlabeledKD_dc_input2.featureXML,FeatureLinkerUnlabeledKD_dc_input3.featureXML,FeatureLinkerUnlabeledKD_dc_input1_2.featureXML,FeatureLinkerUnlabeledKD_dc_input2_2.featureXML"/> | |
3695 <output name="out" file="FeatureLinkerUnlabeledKD_6_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3696 <param name="keep_subelements" value="false"/> | |
3697 <section name="algorithm"> | |
3698 <param name="mz_unit" value="ppm"/> | |
3699 <param name="nr_partitions" value="100"/> | |
3700 <section name="warp"> | |
3701 <param name="enabled" value="true"/> | |
3702 <param name="rt_tol" value="100.0"/> | |
3703 <param name="mz_tol" value="5.0"/> | |
3704 <param name="max_pairwise_log_fc" value="0.5"/> | |
3705 <param name="min_rel_cc_size" value="0.5"/> | |
3706 <param name="max_nr_conflicts" value="0"/> | |
3707 </section> | |
3708 <section name="link"> | |
3709 <param name="rt_tol" value="30.0"/> | |
3710 <param name="mz_tol" value="10.0"/> | |
3711 <param name="charge_merging" value="Any"/> | |
3712 <param name="adduct_merging" value="With_unknown_adducts"/> | |
3713 </section> | |
3714 <section name="distance_RT"> | |
3715 <param name="exponent" value="1.0"/> | |
3716 <param name="weight" value="1.0"/> | |
3717 </section> | |
3718 <section name="distance_MZ"> | |
3719 <param name="exponent" value="2.0"/> | |
3720 <param name="weight" value="1.0"/> | |
3721 </section> | |
3722 <section name="distance_intensity"> | |
3723 <param name="exponent" value="1.0"/> | |
3724 <param name="weight" value="1.0"/> | |
3725 <param name="log_transform" value="enabled"/> | |
3726 </section> | |
3727 <section name="LOWESS"> | |
3728 <param name="span" value="0.666666666666667"/> | |
3729 <param name="num_iterations" value="3"/> | |
3730 <param name="delta" value="-1.0"/> | |
3731 <param name="interpolation_type" value="cspline"/> | |
3732 <param name="extrapolation_type" value="four-point-linear"/> | |
3733 </section> | |
3734 </section> | |
3735 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3736 <output name="ctd_out" ftype="xml"> | |
3737 <assert_contents> | |
3738 <is_valid_xml/> | |
3739 </assert_contents> | |
3740 </output> | |
3741 </test> | |
3742 <test expect_num_outputs="2"> | |
3743 <conditional name="adv_opts_cond"> | |
3744 <param name="adv_opts_selector" value="advanced"/> | |
3745 <param name="force" value="false"/> | |
3746 <param name="test" value="true"/> | |
3747 </conditional> | |
3748 <param name="in" value="FeatureLinkerUnlabeledKD_dc_input1.featureXML,FeatureLinkerUnlabeledKD_dc_input2.featureXML,FeatureLinkerUnlabeledKD_dc_input3.featureXML,FeatureLinkerUnlabeledKD_dc_input1_2.featureXML,FeatureLinkerUnlabeledKD_dc_input2_2.featureXML"/> | |
3749 <output name="out" file="FeatureLinkerUnlabeledKD_7_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3750 <param name="keep_subelements" value="false"/> | |
3751 <section name="algorithm"> | |
3752 <param name="mz_unit" value="ppm"/> | |
3753 <param name="nr_partitions" value="100"/> | |
3754 <section name="warp"> | |
3755 <param name="enabled" value="true"/> | |
3756 <param name="rt_tol" value="100.0"/> | |
3757 <param name="mz_tol" value="5.0"/> | |
3758 <param name="max_pairwise_log_fc" value="0.5"/> | |
3759 <param name="min_rel_cc_size" value="0.5"/> | |
3760 <param name="max_nr_conflicts" value="0"/> | |
3761 </section> | |
3762 <section name="link"> | |
3763 <param name="rt_tol" value="30.0"/> | |
3764 <param name="mz_tol" value="10.0"/> | |
3765 <param name="charge_merging" value="Any"/> | |
3766 <param name="adduct_merging" value="Identical"/> | |
3767 </section> | |
3768 <section name="distance_RT"> | |
3769 <param name="exponent" value="1.0"/> | |
3770 <param name="weight" value="1.0"/> | |
3771 </section> | |
3772 <section name="distance_MZ"> | |
3773 <param name="exponent" value="2.0"/> | |
3774 <param name="weight" value="1.0"/> | |
3775 </section> | |
3776 <section name="distance_intensity"> | |
3777 <param name="exponent" value="1.0"/> | |
3778 <param name="weight" value="1.0"/> | |
3779 <param name="log_transform" value="enabled"/> | |
3780 </section> | |
3781 <section name="LOWESS"> | |
3782 <param name="span" value="0.666666666666667"/> | |
3783 <param name="num_iterations" value="3"/> | |
3784 <param name="delta" value="-1.0"/> | |
3785 <param name="interpolation_type" value="cspline"/> | |
3786 <param name="extrapolation_type" value="four-point-linear"/> | |
3787 </section> | |
3788 </section> | |
3789 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3790 <output name="ctd_out" ftype="xml"> | |
3791 <assert_contents> | |
3792 <is_valid_xml/> | |
3793 </assert_contents> | |
3794 </output> | |
3795 </test> | |
3796 </xml> | |
3797 <xml name="autotest_FeatureLinkerUnlabeledQT"> | |
3798 <test expect_num_outputs="2"> | |
3799 <conditional name="adv_opts_cond"> | |
3800 <param name="adv_opts_selector" value="advanced"/> | |
3801 <param name="force" value="false"/> | |
3802 <param name="test" value="true"/> | |
3803 </conditional> | |
3804 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
3805 <output name="out" file="FeatureLinkerUnlabeledQT_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3806 <param name="keep_subelements" value="false"/> | |
3807 <section name="algorithm"> | |
3808 <param name="use_identifications" value="false"/> | |
3809 <param name="nr_partitions" value="100"/> | |
3810 <param name="ignore_charge" value="false"/> | |
3811 <param name="ignore_adduct" value="true"/> | |
3812 <section name="distance_RT"> | |
3813 <param name="max_difference" value="100.0"/> | |
3814 <param name="exponent" value="1.0"/> | |
3815 <param name="weight" value="1.0"/> | |
3816 </section> | |
3817 <section name="distance_MZ"> | |
3818 <param name="max_difference" value="0.3"/> | |
3819 <param name="unit" value="Da"/> | |
3820 <param name="exponent" value="2.0"/> | |
3821 <param name="weight" value="1.0"/> | |
3822 </section> | |
3823 <section name="distance_intensity"> | |
3824 <param name="exponent" value="1.0"/> | |
3825 <param name="weight" value="0.0"/> | |
3826 <param name="log_transform" value="disabled"/> | |
3827 </section> | |
3828 </section> | |
3829 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3830 <output name="ctd_out" ftype="xml"> | |
3831 <assert_contents> | |
3832 <is_valid_xml/> | |
3833 </assert_contents> | |
3834 </output> | |
3835 </test> | |
3836 <test expect_num_outputs="2"> | |
3837 <conditional name="adv_opts_cond"> | |
3838 <param name="adv_opts_selector" value="advanced"/> | |
3839 <param name="force" value="false"/> | |
3840 <param name="test" value="true"/> | |
3841 </conditional> | |
3842 <param name="in" value="FeatureLinkerUnlabeledQT_1_output.consensusXML,FeatureLinkerUnlabeledQT_1_output_2.consensusXML"/> | |
3843 <output name="out" file="FeatureLinkerUnlabeledQT_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3844 <param name="keep_subelements" value="true"/> | |
3845 <section name="algorithm"> | |
3846 <param name="use_identifications" value="false"/> | |
3847 <param name="nr_partitions" value="100"/> | |
3848 <param name="ignore_charge" value="false"/> | |
3849 <param name="ignore_adduct" value="true"/> | |
3850 <section name="distance_RT"> | |
3851 <param name="max_difference" value="100.0"/> | |
3852 <param name="exponent" value="1.0"/> | |
3853 <param name="weight" value="1.0"/> | |
3854 </section> | |
3855 <section name="distance_MZ"> | |
3856 <param name="max_difference" value="0.3"/> | |
3857 <param name="unit" value="Da"/> | |
3858 <param name="exponent" value="2.0"/> | |
3859 <param name="weight" value="1.0"/> | |
3860 </section> | |
3861 <section name="distance_intensity"> | |
3862 <param name="exponent" value="1.0"/> | |
3863 <param name="weight" value="0.0"/> | |
3864 <param name="log_transform" value="disabled"/> | |
3865 </section> | |
3866 </section> | |
3867 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3868 <output name="ctd_out" ftype="xml"> | |
3869 <assert_contents> | |
3870 <is_valid_xml/> | |
3871 </assert_contents> | |
3872 </output> | |
3873 </test> | |
3874 <test expect_num_outputs="2"> | |
3875 <conditional name="adv_opts_cond"> | |
3876 <param name="adv_opts_selector" value="advanced"/> | |
3877 <param name="force" value="false"/> | |
3878 <param name="test" value="true"/> | |
3879 </conditional> | |
3880 <param name="in" value="FeatureLinkerUnlabeledQT_3_input1.featureXML,FeatureLinkerUnlabeledQT_3_input2.featureXML"/> | |
3881 <output name="out" file="FeatureLinkerUnlabeledQT_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3882 <param name="keep_subelements" value="false"/> | |
3883 <section name="algorithm"> | |
3884 <param name="use_identifications" value="false"/> | |
3885 <param name="nr_partitions" value="99999"/> | |
3886 <param name="ignore_charge" value="false"/> | |
3887 <param name="ignore_adduct" value="true"/> | |
3888 <section name="distance_RT"> | |
3889 <param name="max_difference" value="100.0"/> | |
3890 <param name="exponent" value="1.0"/> | |
3891 <param name="weight" value="1.0"/> | |
3892 </section> | |
3893 <section name="distance_MZ"> | |
3894 <param name="max_difference" value="0.3"/> | |
3895 <param name="unit" value="Da"/> | |
3896 <param name="exponent" value="2.0"/> | |
3897 <param name="weight" value="1.0"/> | |
3898 </section> | |
3899 <section name="distance_intensity"> | |
3900 <param name="exponent" value="1.0"/> | |
3901 <param name="weight" value="0.0"/> | |
3902 <param name="log_transform" value="disabled"/> | |
3903 </section> | |
3904 </section> | |
3905 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3906 <output name="ctd_out" ftype="xml"> | |
3907 <assert_contents> | |
3908 <is_valid_xml/> | |
3909 </assert_contents> | |
3910 </output> | |
3911 </test> | |
3912 <test expect_num_outputs="2"> | |
3913 <conditional name="adv_opts_cond"> | |
3914 <param name="adv_opts_selector" value="advanced"/> | |
3915 <param name="force" value="false"/> | |
3916 <param name="test" value="true"/> | |
3917 </conditional> | |
3918 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
3919 <output name="out" file="FeatureLinkerUnlabeledQT_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3920 <param name="keep_subelements" value="false"/> | |
3921 <section name="algorithm"> | |
3922 <param name="use_identifications" value="true"/> | |
3923 <param name="nr_partitions" value="100"/> | |
3924 <param name="ignore_charge" value="false"/> | |
3925 <param name="ignore_adduct" value="true"/> | |
3926 <section name="distance_RT"> | |
3927 <param name="max_difference" value="100.0"/> | |
3928 <param name="exponent" value="1.0"/> | |
3929 <param name="weight" value="1.0"/> | |
3930 </section> | |
3931 <section name="distance_MZ"> | |
3932 <param name="max_difference" value="0.3"/> | |
3933 <param name="unit" value="Da"/> | |
3934 <param name="exponent" value="2.0"/> | |
3935 <param name="weight" value="1.0"/> | |
3936 </section> | |
3937 <section name="distance_intensity"> | |
3938 <param name="exponent" value="1.0"/> | |
3939 <param name="weight" value="0.0"/> | |
3940 <param name="log_transform" value="disabled"/> | |
3941 </section> | |
3942 </section> | |
3943 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3944 <output name="ctd_out" ftype="xml"> | |
3945 <assert_contents> | |
3946 <is_valid_xml/> | |
3947 </assert_contents> | |
3948 </output> | |
3949 </test> | |
3950 <test expect_num_outputs="2"> | |
3951 <conditional name="adv_opts_cond"> | |
3952 <param name="adv_opts_selector" value="advanced"/> | |
3953 <param name="force" value="false"/> | |
3954 <param name="test" value="true"/> | |
3955 </conditional> | |
3956 <param name="in" value="FeatureLinkerUnlabeledQT_5_input1.featureXML,FeatureLinkerUnlabeledQT_5_input2.featureXML,FeatureLinkerUnlabeledQT_5_input3.featureXML"/> | |
3957 <output name="out" file="FeatureLinkerUnlabeledQT_5_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3958 <param name="keep_subelements" value="false"/> | |
3959 <section name="algorithm"> | |
3960 <param name="use_identifications" value="false"/> | |
3961 <param name="nr_partitions" value="100"/> | |
3962 <param name="ignore_charge" value="false"/> | |
3963 <param name="ignore_adduct" value="true"/> | |
3964 <section name="distance_RT"> | |
3965 <param name="max_difference" value="200.0"/> | |
3966 <param name="exponent" value="1.0"/> | |
3967 <param name="weight" value="1.0"/> | |
3968 </section> | |
3969 <section name="distance_MZ"> | |
3970 <param name="max_difference" value="0.3"/> | |
3971 <param name="unit" value="Da"/> | |
3972 <param name="exponent" value="2.0"/> | |
3973 <param name="weight" value="1.0"/> | |
3974 </section> | |
3975 <section name="distance_intensity"> | |
3976 <param name="exponent" value="1.0"/> | |
3977 <param name="weight" value="0.0"/> | |
3978 <param name="log_transform" value="disabled"/> | |
3979 </section> | |
3980 </section> | |
3981 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3982 <output name="ctd_out" ftype="xml"> | |
3983 <assert_contents> | |
3984 <is_valid_xml/> | |
3985 </assert_contents> | |
3986 </output> | |
3987 </test> | |
3988 <test expect_num_outputs="2"> | |
3989 <conditional name="adv_opts_cond"> | |
3990 <param name="adv_opts_selector" value="advanced"/> | |
3991 <param name="force" value="false"/> | |
3992 <param name="test" value="true"/> | |
3993 </conditional> | |
3994 <param name="in" value="FeatureLinkerUnlabeledQT_5_input1.featureXML,FeatureLinkerUnlabeledQT_5_input2.featureXML,FeatureLinkerUnlabeledQT_5_input3.featureXML"/> | |
3995 <output name="out" file="FeatureLinkerUnlabeledQT_6_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3996 <param name="keep_subelements" value="false"/> | |
3997 <section name="algorithm"> | |
3998 <param name="use_identifications" value="true"/> | |
3999 <param name="nr_partitions" value="100"/> | |
4000 <param name="ignore_charge" value="false"/> | |
4001 <param name="ignore_adduct" value="true"/> | |
4002 <section name="distance_RT"> | |
4003 <param name="max_difference" value="200.0"/> | |
4004 <param name="exponent" value="1.0"/> | |
4005 <param name="weight" value="1.0"/> | |
4006 </section> | |
4007 <section name="distance_MZ"> | |
4008 <param name="max_difference" value="0.3"/> | |
4009 <param name="unit" value="Da"/> | |
4010 <param name="exponent" value="2.0"/> | |
4011 <param name="weight" value="1.0"/> | |
4012 </section> | |
4013 <section name="distance_intensity"> | |
4014 <param name="exponent" value="1.0"/> | |
4015 <param name="weight" value="0.0"/> | |
4016 <param name="log_transform" value="disabled"/> | |
4017 </section> | |
4018 </section> | |
4019 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4020 <output name="ctd_out" ftype="xml"> | |
4021 <assert_contents> | |
4022 <is_valid_xml/> | |
4023 </assert_contents> | |
4024 </output> | |
4025 </test> | |
4026 </xml> | |
4027 <xml name="autotest_FeatureLinkerUnlabeled"> | |
4028 <test expect_num_outputs="2"> | |
4029 <conditional name="adv_opts_cond"> | |
4030 <param name="adv_opts_selector" value="advanced"/> | |
4031 <param name="force" value="false"/> | |
4032 <param name="test" value="true"/> | |
4033 </conditional> | |
4034 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
4035 <output name="out" file="FeatureLinkerUnlabeled_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4036 <param name="keep_subelements" value="false"/> | |
4037 <section name="algorithm"> | |
4038 <param name="second_nearest_gap" value="2.0"/> | |
4039 <param name="use_identifications" value="false"/> | |
4040 <param name="ignore_charge" value="true"/> | |
4041 <param name="ignore_adduct" value="true"/> | |
4042 <section name="distance_RT"> | |
4043 <param name="max_difference" value="200.0"/> | |
4044 <param name="exponent" value="1.0"/> | |
4045 <param name="weight" value="1.0"/> | |
4046 </section> | |
4047 <section name="distance_MZ"> | |
4048 <param name="max_difference" value="0.5"/> | |
4049 <param name="unit" value="Da"/> | |
4050 <param name="exponent" value="1.0"/> | |
4051 <param name="weight" value="1.0"/> | |
4052 </section> | |
4053 <section name="distance_intensity"> | |
4054 <param name="exponent" value="1.0"/> | |
4055 <param name="weight" value="0.0"/> | |
4056 <param name="log_transform" value="disabled"/> | |
4057 </section> | |
4058 </section> | |
4059 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4060 <output name="ctd_out" ftype="xml"> | |
4061 <assert_contents> | |
4062 <is_valid_xml/> | |
4063 </assert_contents> | |
4064 </output> | |
4065 </test> | |
4066 <test expect_num_outputs="2"> | |
4067 <conditional name="adv_opts_cond"> | |
4068 <param name="adv_opts_selector" value="advanced"/> | |
4069 <param name="force" value="false"/> | |
4070 <param name="test" value="true"/> | |
4071 </conditional> | |
4072 <param name="in" value="FeatureLinkerUnlabeled_2_input1.featureXML,FeatureLinkerUnlabeled_2_input2.featureXML,FeatureLinkerUnlabeled_2_input3.featureXML"/> | |
4073 <output name="out" file="FeatureLinkerUnlabeled_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4074 <param name="keep_subelements" value="false"/> | |
4075 <section name="algorithm"> | |
4076 <param name="second_nearest_gap" value="2.0"/> | |
4077 <param name="use_identifications" value="false"/> | |
4078 <param name="ignore_charge" value="false"/> | |
4079 <param name="ignore_adduct" value="true"/> | |
4080 <section name="distance_RT"> | |
4081 <param name="max_difference" value="100.0"/> | |
4082 <param name="exponent" value="1.0"/> | |
4083 <param name="weight" value="1.0"/> | |
4084 </section> | |
4085 <section name="distance_MZ"> | |
4086 <param name="max_difference" value="0.3"/> | |
4087 <param name="unit" value="Da"/> | |
4088 <param name="exponent" value="2.0"/> | |
4089 <param name="weight" value="1.0"/> | |
4090 </section> | |
4091 <section name="distance_intensity"> | |
4092 <param name="exponent" value="1.0"/> | |
4093 <param name="weight" value="0.5"/> | |
4094 <param name="log_transform" value="disabled"/> | |
4095 </section> | |
4096 </section> | |
4097 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4098 <output name="ctd_out" ftype="xml"> | |
4099 <assert_contents> | |
4100 <is_valid_xml/> | |
4101 </assert_contents> | |
4102 </output> | |
4103 </test> | |
4104 <test expect_num_outputs="2"> | |
4105 <conditional name="adv_opts_cond"> | |
4106 <param name="adv_opts_selector" value="advanced"/> | |
4107 <param name="force" value="false"/> | |
4108 <param name="test" value="true"/> | |
4109 </conditional> | |
4110 <param name="in" value="FeatureLinkerUnlabeled_3_input1.featureXML,FeatureLinkerUnlabeled_3_input2.featureXML"/> | |
4111 <output name="out" file="FeatureLinkerUnlabeled_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4112 <param name="keep_subelements" value="false"/> | |
4113 <section name="algorithm"> | |
4114 <param name="second_nearest_gap" value="1.5"/> | |
4115 <param name="use_identifications" value="false"/> | |
4116 <param name="ignore_charge" value="true"/> | |
4117 <param name="ignore_adduct" value="true"/> | |
4118 <section name="distance_RT"> | |
4119 <param name="max_difference" value="30.0"/> | |
4120 <param name="exponent" value="1.0"/> | |
4121 <param name="weight" value="1.0"/> | |
4122 </section> | |
4123 <section name="distance_MZ"> | |
4124 <param name="max_difference" value="0.3"/> | |
4125 <param name="unit" value="Da"/> | |
4126 <param name="exponent" value="2.0"/> | |
4127 <param name="weight" value="1.0"/> | |
4128 </section> | |
4129 <section name="distance_intensity"> | |
4130 <param name="exponent" value="1.0"/> | |
4131 <param name="weight" value="0.0"/> | |
4132 <param name="log_transform" value="disabled"/> | |
4133 </section> | |
4134 </section> | |
4135 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4136 <output name="ctd_out" ftype="xml"> | |
4137 <assert_contents> | |
4138 <is_valid_xml/> | |
4139 </assert_contents> | |
4140 </output> | |
4141 </test> | |
4142 <test expect_num_outputs="2"> | |
4143 <conditional name="adv_opts_cond"> | |
4144 <param name="adv_opts_selector" value="advanced"/> | |
4145 <param name="force" value="false"/> | |
4146 <param name="test" value="true"/> | |
4147 </conditional> | |
4148 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
4149 <output name="out" file="FeatureLinkerUnlabeled_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4150 <param name="keep_subelements" value="false"/> | |
4151 <section name="algorithm"> | |
4152 <param name="second_nearest_gap" value="2.0"/> | |
4153 <param name="use_identifications" value="true"/> | |
4154 <param name="ignore_charge" value="true"/> | |
4155 <param name="ignore_adduct" value="true"/> | |
4156 <section name="distance_RT"> | |
4157 <param name="max_difference" value="200.0"/> | |
4158 <param name="exponent" value="2.0"/> | |
4159 <param name="weight" value="1.0"/> | |
4160 </section> | |
4161 <section name="distance_MZ"> | |
4162 <param name="max_difference" value="0.5"/> | |
4163 <param name="unit" value="Da"/> | |
4164 <param name="exponent" value="2.0"/> | |
4165 <param name="weight" value="1.0"/> | |
4166 </section> | |
4167 <section name="distance_intensity"> | |
4168 <param name="exponent" value="1.0"/> | |
4169 <param name="weight" value="0.0"/> | |
4170 <param name="log_transform" value="disabled"/> | |
4171 </section> | |
4172 </section> | |
4173 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4174 <output name="ctd_out" ftype="xml"> | |
4175 <assert_contents> | |
4176 <is_valid_xml/> | |
4177 </assert_contents> | |
4178 </output> | |
4179 </test> | |
4180 </xml> | |
4181 <xml name="autotest_FFEval"> | |
4182 </xml> | |
4183 <xml name="autotest_FidoAdapter"> | |
4184 <test expect_num_outputs="2"> | |
4185 <conditional name="adv_opts_cond"> | |
4186 <param name="adv_opts_selector" value="advanced"/> | |
4187 <param name="keep_zero_group" value="false"/> | |
4188 <param name="accuracy" value=""/> | |
4189 <param name="log2_states_precalc" value="0"/> | |
4190 <param name="force" value="false"/> | |
4191 <param name="test" value="true"/> | |
4192 </conditional> | |
4193 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
4194 <output name="out" file="FidoAdapter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
4195 <param name="separate_runs" value="false"/> | |
4196 <param name="greedy_group_resolution" value="false"/> | |
4197 <param name="no_cleanup" value="false"/> | |
4198 <param name="all_PSMs" value="false"/> | |
4199 <param name="group_level" value="false"/> | |
4200 <param name="log2_states" value="0"/> | |
4201 <section name="prob"> | |
4202 <param name="protein" value="0.0"/> | |
4203 <param name="peptide" value="0.0"/> | |
4204 <param name="spurious" value="0.0"/> | |
4205 </section> | |
4206 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4207 <output name="ctd_out" ftype="xml"> | |
4208 <assert_contents> | |
4209 <is_valid_xml/> | |
4210 </assert_contents> | |
4211 </output> | |
4212 </test> | |
4213 <test expect_num_outputs="2"> | |
4214 <conditional name="adv_opts_cond"> | |
4215 <param name="adv_opts_selector" value="advanced"/> | |
4216 <param name="keep_zero_group" value="false"/> | |
4217 <param name="accuracy" value=""/> | |
4218 <param name="log2_states_precalc" value="0"/> | |
4219 <param name="force" value="false"/> | |
4220 <param name="test" value="true"/> | |
4221 </conditional> | |
4222 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
4223 <output name="out" file="FidoAdapter_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
4224 <param name="separate_runs" value="true"/> | |
4225 <param name="greedy_group_resolution" value="false"/> | |
4226 <param name="no_cleanup" value="false"/> | |
4227 <param name="all_PSMs" value="false"/> | |
4228 <param name="group_level" value="false"/> | |
4229 <param name="log2_states" value="0"/> | |
4230 <section name="prob"> | |
4231 <param name="protein" value="0.0"/> | |
4232 <param name="peptide" value="0.0"/> | |
4233 <param name="spurious" value="0.0"/> | |
4234 </section> | |
4235 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4236 <output name="ctd_out" ftype="xml"> | |
4237 <assert_contents> | |
4238 <is_valid_xml/> | |
4239 </assert_contents> | |
4240 </output> | |
4241 </test> | |
4242 <test expect_num_outputs="2"> | |
4243 <conditional name="adv_opts_cond"> | |
4244 <param name="adv_opts_selector" value="advanced"/> | |
4245 <param name="keep_zero_group" value="false"/> | |
4246 <param name="accuracy" value=""/> | |
4247 <param name="log2_states_precalc" value="0"/> | |
4248 <param name="force" value="false"/> | |
4249 <param name="test" value="true"/> | |
4250 </conditional> | |
4251 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
4252 <output name="out" file="FidoAdapter_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
4253 <param name="separate_runs" value="false"/> | |
4254 <param name="greedy_group_resolution" value="false"/> | |
4255 <param name="no_cleanup" value="false"/> | |
4256 <param name="all_PSMs" value="true"/> | |
4257 <param name="group_level" value="true"/> | |
4258 <param name="log2_states" value="0"/> | |
4259 <section name="prob"> | |
4260 <param name="protein" value="0.0"/> | |
4261 <param name="peptide" value="0.0"/> | |
4262 <param name="spurious" value="0.0"/> | |
4263 </section> | |
4264 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4265 <output name="ctd_out" ftype="xml"> | |
4266 <assert_contents> | |
4267 <is_valid_xml/> | |
4268 </assert_contents> | |
4269 </output> | |
4270 </test> | |
4271 <test expect_num_outputs="2"> | |
4272 <conditional name="adv_opts_cond"> | |
4273 <param name="adv_opts_selector" value="advanced"/> | |
4274 <param name="keep_zero_group" value="false"/> | |
4275 <param name="accuracy" value=""/> | |
4276 <param name="log2_states_precalc" value="0"/> | |
4277 <param name="force" value="false"/> | |
4278 <param name="test" value="true"/> | |
4279 </conditional> | |
4280 <param name="in" value="FidoAdapter_4_input.idXML"/> | |
4281 <output name="out" file="FidoAdapter_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
4282 <param name="separate_runs" value="false"/> | |
4283 <param name="greedy_group_resolution" value="false"/> | |
4284 <param name="no_cleanup" value="false"/> | |
4285 <param name="all_PSMs" value="false"/> | |
4286 <param name="group_level" value="false"/> | |
4287 <param name="log2_states" value="0"/> | |
4288 <section name="prob"> | |
4289 <param name="protein" value="0.0"/> | |
4290 <param name="peptide" value="0.0"/> | |
4291 <param name="spurious" value="0.0"/> | |
4292 </section> | |
4293 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4294 <output name="ctd_out" ftype="xml"> | |
4295 <assert_contents> | |
4296 <is_valid_xml/> | |
4297 </assert_contents> | |
4298 </output> | |
4299 </test> | |
4300 <test expect_num_outputs="2"> | |
4301 <conditional name="adv_opts_cond"> | |
4302 <param name="adv_opts_selector" value="advanced"/> | |
4303 <param name="keep_zero_group" value="false"/> | |
4304 <param name="accuracy" value=""/> | |
4305 <param name="log2_states_precalc" value="0"/> | |
4306 <param name="force" value="false"/> | |
4307 <param name="test" value="true"/> | |
4308 </conditional> | |
4309 <param name="in" value="FidoAdapter_5_input.idXML"/> | |
4310 <output name="out" file="FidoAdapter_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
4311 <param name="separate_runs" value="false"/> | |
4312 <param name="greedy_group_resolution" value="true"/> | |
4313 <param name="no_cleanup" value="false"/> | |
4314 <param name="all_PSMs" value="false"/> | |
4315 <param name="group_level" value="false"/> | |
4316 <param name="log2_states" value="0"/> | |
4317 <section name="prob"> | |
4318 <param name="protein" value="0.0"/> | |
4319 <param name="peptide" value="0.0"/> | |
4320 <param name="spurious" value="0.0"/> | |
4321 </section> | |
4322 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4323 <output name="ctd_out" ftype="xml"> | |
4324 <assert_contents> | |
4325 <is_valid_xml/> | |
4326 </assert_contents> | |
4327 </output> | |
4328 </test> | |
4329 <test expect_num_outputs="2"> | |
4330 <conditional name="adv_opts_cond"> | |
4331 <param name="adv_opts_selector" value="advanced"/> | |
4332 <param name="keep_zero_group" value="false"/> | |
4333 <param name="accuracy" value=""/> | |
4334 <param name="log2_states_precalc" value="0"/> | |
4335 <param name="force" value="false"/> | |
4336 <param name="test" value="true"/> | |
4337 </conditional> | |
4338 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
4339 <output name="out" file="FidoAdapter_6_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
4340 <param name="separate_runs" value="false"/> | |
4341 <param name="greedy_group_resolution" value="false"/> | |
4342 <param name="no_cleanup" value="false"/> | |
4343 <param name="all_PSMs" value="false"/> | |
4344 <param name="group_level" value="false"/> | |
4345 <param name="log2_states" value="0"/> | |
4346 <section name="prob"> | |
4347 <param name="protein" value="0.9"/> | |
4348 <param name="peptide" value="0.01"/> | |
4349 <param name="spurious" value="0.0"/> | |
4350 </section> | |
4351 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4352 <output name="ctd_out" ftype="xml"> | |
4353 <assert_contents> | |
4354 <is_valid_xml/> | |
4355 </assert_contents> | |
4356 </output> | |
4357 </test> | |
4358 </xml> | |
4359 <xml name="autotest_FileConverter"> | |
4360 <test expect_num_outputs="2"> | |
4361 <conditional name="adv_opts_cond"> | |
4362 <param name="adv_opts_selector" value="advanced"/> | |
4363 <param name="UID_postprocessing" value="ensure"/> | |
4364 <param name="TIC_DTA2D" value="false"/> | |
4365 <param name="MGF_compact" value="false"/> | |
4366 <param name="force_MaxQuant_compatibility" value="false"/> | |
4367 <param name="convert_to_chromatograms" value="false"/> | |
4368 <param name="force_TPP_compatibility" value="false"/> | |
4369 <param name="change_im_format" value="none"/> | |
4370 <param name="write_scan_index" value="true"/> | |
4371 <param name="lossy_compression" value="false"/> | |
4372 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4373 <param name="process_lowmemory" value="false"/> | |
4374 <param name="no_peak_picking" value="false"/> | |
4375 <param name="force" value="false"/> | |
4376 <param name="test" value="true"/> | |
4377 </conditional> | |
4378 <param name="in" value="FileConverter_1_input.mzData"/> | |
4379 <output name="out" file="FileConverter_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4380 <param name="out_type" value="mzML"/> | |
4381 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4382 <output name="ctd_out" ftype="xml"> | |
4383 <assert_contents> | |
4384 <is_valid_xml/> | |
4385 </assert_contents> | |
4386 </output> | |
4387 </test> | |
4388 <test expect_num_outputs="2"> | |
4389 <conditional name="adv_opts_cond"> | |
4390 <param name="adv_opts_selector" value="advanced"/> | |
4391 <param name="UID_postprocessing" value="ensure"/> | |
4392 <param name="TIC_DTA2D" value="false"/> | |
4393 <param name="MGF_compact" value="false"/> | |
4394 <param name="force_MaxQuant_compatibility" value="false"/> | |
4395 <param name="convert_to_chromatograms" value="false"/> | |
4396 <param name="force_TPP_compatibility" value="false"/> | |
4397 <param name="change_im_format" value="none"/> | |
4398 <param name="write_scan_index" value="true"/> | |
4399 <param name="lossy_compression" value="false"/> | |
4400 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4401 <param name="process_lowmemory" value="false"/> | |
4402 <param name="no_peak_picking" value="false"/> | |
4403 <param name="force" value="false"/> | |
4404 <param name="test" value="true"/> | |
4405 </conditional> | |
4406 <param name="in" value="FileConverter_2_input.someInputDTA2D"/> | |
4407 <output name="out" file="FileConverter_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4408 <param name="out_type" value="mzML"/> | |
4409 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4410 <output name="ctd_out" ftype="xml"> | |
4411 <assert_contents> | |
4412 <is_valid_xml/> | |
4413 </assert_contents> | |
4414 </output> | |
4415 </test> | |
4416 <test expect_num_outputs="2"> | |
4417 <conditional name="adv_opts_cond"> | |
4418 <param name="adv_opts_selector" value="advanced"/> | |
4419 <param name="UID_postprocessing" value="ensure"/> | |
4420 <param name="TIC_DTA2D" value="false"/> | |
4421 <param name="MGF_compact" value="false"/> | |
4422 <param name="force_MaxQuant_compatibility" value="false"/> | |
4423 <param name="convert_to_chromatograms" value="false"/> | |
4424 <param name="force_TPP_compatibility" value="false"/> | |
4425 <param name="change_im_format" value="none"/> | |
4426 <param name="write_scan_index" value="true"/> | |
4427 <param name="lossy_compression" value="false"/> | |
4428 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4429 <param name="process_lowmemory" value="false"/> | |
4430 <param name="no_peak_picking" value="false"/> | |
4431 <param name="force" value="false"/> | |
4432 <param name="test" value="true"/> | |
4433 </conditional> | |
4434 <param name="in" value="FileConverter_3_input.featureXML"/> | |
4435 <output name="out" file="FileConverter_3_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4436 <param name="out_type" value="mzML"/> | |
4437 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4438 <output name="ctd_out" ftype="xml"> | |
4439 <assert_contents> | |
4440 <is_valid_xml/> | |
4441 </assert_contents> | |
4442 </output> | |
4443 </test> | |
4444 <test expect_num_outputs="2"> | |
4445 <conditional name="adv_opts_cond"> | |
4446 <param name="adv_opts_selector" value="advanced"/> | |
4447 <param name="UID_postprocessing" value="ensure"/> | |
4448 <param name="TIC_DTA2D" value="false"/> | |
4449 <param name="MGF_compact" value="false"/> | |
4450 <param name="force_MaxQuant_compatibility" value="false"/> | |
4451 <param name="convert_to_chromatograms" value="false"/> | |
4452 <param name="force_TPP_compatibility" value="false"/> | |
4453 <param name="change_im_format" value="none"/> | |
4454 <param name="write_scan_index" value="true"/> | |
4455 <param name="lossy_compression" value="false"/> | |
4456 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4457 <param name="process_lowmemory" value="false"/> | |
4458 <param name="no_peak_picking" value="false"/> | |
4459 <param name="force" value="false"/> | |
4460 <param name="test" value="true"/> | |
4461 </conditional> | |
4462 <param name="in" value="FileConverter_4_input.mzXML"/> | |
4463 <output name="out" file="FileConverter_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4464 <param name="out_type" value="mzML"/> | |
4465 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4466 <output name="ctd_out" ftype="xml"> | |
4467 <assert_contents> | |
4468 <is_valid_xml/> | |
4469 </assert_contents> | |
4470 </output> | |
4471 </test> | |
4472 <test expect_num_outputs="2"> | |
4473 <conditional name="adv_opts_cond"> | |
4474 <param name="adv_opts_selector" value="advanced"/> | |
4475 <param name="UID_postprocessing" value="ensure"/> | |
4476 <param name="TIC_DTA2D" value="false"/> | |
4477 <param name="MGF_compact" value="false"/> | |
4478 <param name="force_MaxQuant_compatibility" value="false"/> | |
4479 <param name="convert_to_chromatograms" value="false"/> | |
4480 <param name="force_TPP_compatibility" value="false"/> | |
4481 <param name="change_im_format" value="none"/> | |
4482 <param name="write_scan_index" value="true"/> | |
4483 <param name="lossy_compression" value="false"/> | |
4484 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4485 <param name="process_lowmemory" value="false"/> | |
4486 <param name="no_peak_picking" value="false"/> | |
4487 <param name="force" value="false"/> | |
4488 <param name="test" value="true"/> | |
4489 </conditional> | |
4490 <param name="in" value="FileConverter_5_input.mzML"/> | |
4491 <output name="out" file="FileConverter_5_output.mzXML" compare="sim_size" delta="5700" ftype="mzxml"/> | |
4492 <param name="out_type" value="mzXML"/> | |
4493 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4494 <output name="ctd_out" ftype="xml"> | |
4495 <assert_contents> | |
4496 <is_valid_xml/> | |
4497 </assert_contents> | |
4498 </output> | |
4499 </test> | |
4500 <test expect_num_outputs="2"> | |
4501 <conditional name="adv_opts_cond"> | |
4502 <param name="adv_opts_selector" value="advanced"/> | |
4503 <param name="UID_postprocessing" value="ensure"/> | |
4504 <param name="TIC_DTA2D" value="false"/> | |
4505 <param name="MGF_compact" value="false"/> | |
4506 <param name="force_MaxQuant_compatibility" value="false"/> | |
4507 <param name="convert_to_chromatograms" value="false"/> | |
4508 <param name="force_TPP_compatibility" value="false"/> | |
4509 <param name="change_im_format" value="none"/> | |
4510 <param name="write_scan_index" value="true"/> | |
4511 <param name="lossy_compression" value="false"/> | |
4512 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4513 <param name="process_lowmemory" value="false"/> | |
4514 <param name="no_peak_picking" value="false"/> | |
4515 <param name="force" value="false"/> | |
4516 <param name="test" value="true"/> | |
4517 </conditional> | |
4518 <param name="in" value="FileConverter_6_input.mzML"/> | |
4519 <output name="out" file="FileConverter_6_output.mzXML" compare="sim_size" delta="5700" ftype="mzxml"/> | |
4520 <param name="out_type" value="mzXML"/> | |
4521 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4522 <output name="ctd_out" ftype="xml"> | |
4523 <assert_contents> | |
4524 <is_valid_xml/> | |
4525 </assert_contents> | |
4526 </output> | |
4527 </test> | |
4528 <test expect_num_outputs="2"> | |
4529 <conditional name="adv_opts_cond"> | |
4530 <param name="adv_opts_selector" value="advanced"/> | |
4531 <param name="UID_postprocessing" value="ensure"/> | |
4532 <param name="TIC_DTA2D" value="false"/> | |
4533 <param name="MGF_compact" value="false"/> | |
4534 <param name="force_MaxQuant_compatibility" value="false"/> | |
4535 <param name="convert_to_chromatograms" value="false"/> | |
4536 <param name="force_TPP_compatibility" value="false"/> | |
4537 <param name="change_im_format" value="none"/> | |
4538 <param name="write_scan_index" value="true"/> | |
4539 <param name="lossy_compression" value="false"/> | |
4540 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4541 <param name="process_lowmemory" value="false"/> | |
4542 <param name="no_peak_picking" value="false"/> | |
4543 <param name="force" value="false"/> | |
4544 <param name="test" value="true"/> | |
4545 </conditional> | |
4546 <param name="in" value="FileConverter_7_input.consensusXML"/> | |
4547 <output name="out" file="FileConverter_7_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4548 <param name="out_type" value="featureXML"/> | |
4549 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4550 <output name="ctd_out" ftype="xml"> | |
4551 <assert_contents> | |
4552 <is_valid_xml/> | |
4553 </assert_contents> | |
4554 </output> | |
4555 </test> | |
4556 <test expect_num_outputs="2"> | |
4557 <conditional name="adv_opts_cond"> | |
4558 <param name="adv_opts_selector" value="advanced"/> | |
4559 <param name="UID_postprocessing" value="ensure"/> | |
4560 <param name="TIC_DTA2D" value="false"/> | |
4561 <param name="MGF_compact" value="false"/> | |
4562 <param name="force_MaxQuant_compatibility" value="false"/> | |
4563 <param name="convert_to_chromatograms" value="false"/> | |
4564 <param name="force_TPP_compatibility" value="false"/> | |
4565 <param name="change_im_format" value="none"/> | |
4566 <param name="write_scan_index" value="true"/> | |
4567 <param name="lossy_compression" value="false"/> | |
4568 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4569 <param name="process_lowmemory" value="false"/> | |
4570 <param name="no_peak_picking" value="false"/> | |
4571 <param name="force" value="false"/> | |
4572 <param name="test" value="true"/> | |
4573 </conditional> | |
4574 <param name="in" value="FileConverter_8_input.mzML"/> | |
4575 <output name="out" file="FileConverter_8_output.mzData" compare="sim_size" delta="5700" ftype="mzdata"/> | |
4576 <param name="out_type" value="mzData"/> | |
4577 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4578 <output name="ctd_out" ftype="xml"> | |
4579 <assert_contents> | |
4580 <is_valid_xml/> | |
4581 </assert_contents> | |
4582 </output> | |
4583 </test> | |
4584 <test expect_num_outputs="2"> | |
4585 <conditional name="adv_opts_cond"> | |
4586 <param name="adv_opts_selector" value="advanced"/> | |
4587 <param name="UID_postprocessing" value="ensure"/> | |
4588 <param name="TIC_DTA2D" value="false"/> | |
4589 <param name="MGF_compact" value="false"/> | |
4590 <param name="force_MaxQuant_compatibility" value="false"/> | |
4591 <param name="convert_to_chromatograms" value="false"/> | |
4592 <param name="force_TPP_compatibility" value="false"/> | |
4593 <param name="change_im_format" value="none"/> | |
4594 <param name="write_scan_index" value="true"/> | |
4595 <param name="lossy_compression" value="false"/> | |
4596 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4597 <param name="process_lowmemory" value="false"/> | |
4598 <param name="no_peak_picking" value="false"/> | |
4599 <param name="force" value="false"/> | |
4600 <param name="test" value="true"/> | |
4601 </conditional> | |
4602 <param name="in" value="FileConverter_9_input.consensusXML"/> | |
4603 <output name="out" file="FileConverter_9_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4604 <param name="out_type" value="featureXML"/> | |
4605 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4606 <output name="ctd_out" ftype="xml"> | |
4607 <assert_contents> | |
4608 <is_valid_xml/> | |
4609 </assert_contents> | |
4610 </output> | |
4611 </test> | |
4612 <test expect_num_outputs="2"> | |
4613 <conditional name="adv_opts_cond"> | |
4614 <param name="adv_opts_selector" value="advanced"/> | |
4615 <param name="UID_postprocessing" value="ensure"/> | |
4616 <param name="TIC_DTA2D" value="false"/> | |
4617 <param name="MGF_compact" value="false"/> | |
4618 <param name="force_MaxQuant_compatibility" value="false"/> | |
4619 <param name="convert_to_chromatograms" value="false"/> | |
4620 <param name="force_TPP_compatibility" value="false"/> | |
4621 <param name="change_im_format" value="none"/> | |
4622 <param name="write_scan_index" value="true"/> | |
4623 <param name="lossy_compression" value="false"/> | |
4624 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4625 <param name="process_lowmemory" value="false"/> | |
4626 <param name="no_peak_picking" value="false"/> | |
4627 <param name="force" value="false"/> | |
4628 <param name="test" value="true"/> | |
4629 </conditional> | |
4630 <param name="in" value="FileConverter_10_input.edta" ftype="edta"/> | |
4631 <output name="out" file="FileConverter_10_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4632 <param name="out_type" value="featureXML"/> | |
4633 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4634 <output name="ctd_out" ftype="xml"> | |
4635 <assert_contents> | |
4636 <is_valid_xml/> | |
4637 </assert_contents> | |
4638 </output> | |
4639 </test> | |
4640 <test expect_num_outputs="2"> | |
4641 <conditional name="adv_opts_cond"> | |
4642 <param name="adv_opts_selector" value="advanced"/> | |
4643 <param name="UID_postprocessing" value="ensure"/> | |
4644 <param name="TIC_DTA2D" value="false"/> | |
4645 <param name="MGF_compact" value="false"/> | |
4646 <param name="force_MaxQuant_compatibility" value="false"/> | |
4647 <param name="convert_to_chromatograms" value="false"/> | |
4648 <param name="force_TPP_compatibility" value="false"/> | |
4649 <param name="change_im_format" value="none"/> | |
4650 <param name="write_scan_index" value="true"/> | |
4651 <param name="lossy_compression" value="false"/> | |
4652 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4653 <param name="process_lowmemory" value="false"/> | |
4654 <param name="no_peak_picking" value="false"/> | |
4655 <param name="force" value="false"/> | |
4656 <param name="test" value="true"/> | |
4657 </conditional> | |
4658 <param name="in" value="FileConverter_11_input.peplist"/> | |
4659 <output name="out" file="FileConverter_11_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4660 <param name="out_type" value="featureXML"/> | |
4661 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4662 <output name="ctd_out" ftype="xml"> | |
4663 <assert_contents> | |
4664 <is_valid_xml/> | |
4665 </assert_contents> | |
4666 </output> | |
4667 </test> | |
4668 <test expect_num_outputs="2"> | |
4669 <conditional name="adv_opts_cond"> | |
4670 <param name="adv_opts_selector" value="advanced"/> | |
4671 <param name="UID_postprocessing" value="ensure"/> | |
4672 <param name="TIC_DTA2D" value="false"/> | |
4673 <param name="MGF_compact" value="false"/> | |
4674 <param name="force_MaxQuant_compatibility" value="false"/> | |
4675 <param name="convert_to_chromatograms" value="false"/> | |
4676 <param name="force_TPP_compatibility" value="false"/> | |
4677 <param name="change_im_format" value="none"/> | |
4678 <param name="write_scan_index" value="true"/> | |
4679 <param name="lossy_compression" value="false"/> | |
4680 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4681 <param name="process_lowmemory" value="false"/> | |
4682 <param name="no_peak_picking" value="false"/> | |
4683 <param name="force" value="false"/> | |
4684 <param name="test" value="true"/> | |
4685 </conditional> | |
4686 <param name="in" value="FileConverter_12_input.peptides.tsv" ftype="tabular"/> | |
4687 <output name="out" file="FileConverter_12_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4688 <param name="out_type" value="featureXML"/> | |
4689 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4690 <output name="ctd_out" ftype="xml"> | |
4691 <assert_contents> | |
4692 <is_valid_xml/> | |
4693 </assert_contents> | |
4694 </output> | |
4695 </test> | |
4696 <test expect_num_outputs="2"> | |
4697 <conditional name="adv_opts_cond"> | |
4698 <param name="adv_opts_selector" value="advanced"/> | |
4699 <param name="UID_postprocessing" value="ensure"/> | |
4700 <param name="TIC_DTA2D" value="false"/> | |
4701 <param name="MGF_compact" value="false"/> | |
4702 <param name="force_MaxQuant_compatibility" value="false"/> | |
4703 <param name="convert_to_chromatograms" value="false"/> | |
4704 <param name="force_TPP_compatibility" value="false"/> | |
4705 <param name="change_im_format" value="none"/> | |
4706 <param name="write_scan_index" value="true"/> | |
4707 <param name="lossy_compression" value="false"/> | |
4708 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4709 <param name="process_lowmemory" value="false"/> | |
4710 <param name="no_peak_picking" value="false"/> | |
4711 <param name="force" value="false"/> | |
4712 <param name="test" value="true"/> | |
4713 </conditional> | |
4714 <param name="in" value="FileConverter_13_input.peptides.kroenik"/> | |
4715 <output name="out" file="FileConverter_13_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4716 <param name="out_type" value="featureXML"/> | |
4717 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4718 <output name="ctd_out" ftype="xml"> | |
4719 <assert_contents> | |
4720 <is_valid_xml/> | |
4721 </assert_contents> | |
4722 </output> | |
4723 </test> | |
4724 <test expect_num_outputs="2"> | |
4725 <conditional name="adv_opts_cond"> | |
4726 <param name="adv_opts_selector" value="advanced"/> | |
4727 <param name="UID_postprocessing" value="ensure"/> | |
4728 <param name="TIC_DTA2D" value="false"/> | |
4729 <param name="MGF_compact" value="false"/> | |
4730 <param name="force_MaxQuant_compatibility" value="false"/> | |
4731 <param name="convert_to_chromatograms" value="false"/> | |
4732 <param name="force_TPP_compatibility" value="false"/> | |
4733 <param name="change_im_format" value="none"/> | |
4734 <param name="write_scan_index" value="true"/> | |
4735 <param name="lossy_compression" value="false"/> | |
4736 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4737 <param name="process_lowmemory" value="false"/> | |
4738 <param name="no_peak_picking" value="false"/> | |
4739 <param name="force" value="false"/> | |
4740 <param name="test" value="true"/> | |
4741 </conditional> | |
4742 <param name="in" value="FileConverter_9_output.featureXML"/> | |
4743 <output name="out" file="FileConverter_14_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4744 <param name="out_type" value="consensusXML"/> | |
4745 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4746 <output name="ctd_out" ftype="xml"> | |
4747 <assert_contents> | |
4748 <is_valid_xml/> | |
4749 </assert_contents> | |
4750 </output> | |
4751 </test> | |
4752 <test expect_num_outputs="2"> | |
4753 <conditional name="adv_opts_cond"> | |
4754 <param name="adv_opts_selector" value="advanced"/> | |
4755 <param name="UID_postprocessing" value="ensure"/> | |
4756 <param name="TIC_DTA2D" value="false"/> | |
4757 <param name="MGF_compact" value="false"/> | |
4758 <param name="force_MaxQuant_compatibility" value="false"/> | |
4759 <param name="convert_to_chromatograms" value="false"/> | |
4760 <param name="force_TPP_compatibility" value="false"/> | |
4761 <param name="change_im_format" value="none"/> | |
4762 <param name="write_scan_index" value="true"/> | |
4763 <param name="lossy_compression" value="false"/> | |
4764 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4765 <param name="process_lowmemory" value="false"/> | |
4766 <param name="no_peak_picking" value="false"/> | |
4767 <param name="force" value="false"/> | |
4768 <param name="test" value="true"/> | |
4769 </conditional> | |
4770 <param name="in" value="FileConverter_10_input.edta" ftype="edta"/> | |
4771 <output name="out" file="FileConverter_15_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4772 <param name="out_type" value="consensusXML"/> | |
4773 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4774 <output name="ctd_out" ftype="xml"> | |
4775 <assert_contents> | |
4776 <is_valid_xml/> | |
4777 </assert_contents> | |
4778 </output> | |
4779 </test> | |
4780 <test expect_num_outputs="2"> | |
4781 <conditional name="adv_opts_cond"> | |
4782 <param name="adv_opts_selector" value="advanced"/> | |
4783 <param name="UID_postprocessing" value="ensure"/> | |
4784 <param name="TIC_DTA2D" value="false"/> | |
4785 <param name="MGF_compact" value="false"/> | |
4786 <param name="force_MaxQuant_compatibility" value="false"/> | |
4787 <param name="convert_to_chromatograms" value="false"/> | |
4788 <param name="force_TPP_compatibility" value="false"/> | |
4789 <param name="change_im_format" value="none"/> | |
4790 <param name="write_scan_index" value="true"/> | |
4791 <param name="lossy_compression" value="false"/> | |
4792 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4793 <param name="process_lowmemory" value="false"/> | |
4794 <param name="no_peak_picking" value="false"/> | |
4795 <param name="force" value="false"/> | |
4796 <param name="test" value="true"/> | |
4797 </conditional> | |
4798 <param name="in" value="FileConverter_16_input.edta" ftype="edta"/> | |
4799 <output name="out" file="FileConverter_16_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4800 <param name="out_type" value="consensusXML"/> | |
4801 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4802 <output name="ctd_out" ftype="xml"> | |
4803 <assert_contents> | |
4804 <is_valid_xml/> | |
4805 </assert_contents> | |
4806 </output> | |
4807 </test> | |
4808 <test expect_num_outputs="2"> | |
4809 <conditional name="adv_opts_cond"> | |
4810 <param name="adv_opts_selector" value="advanced"/> | |
4811 <param name="UID_postprocessing" value="ensure"/> | |
4812 <param name="TIC_DTA2D" value="false"/> | |
4813 <param name="MGF_compact" value="false"/> | |
4814 <param name="force_MaxQuant_compatibility" value="false"/> | |
4815 <param name="convert_to_chromatograms" value="false"/> | |
4816 <param name="force_TPP_compatibility" value="false"/> | |
4817 <param name="change_im_format" value="none"/> | |
4818 <param name="write_scan_index" value="true"/> | |
4819 <param name="lossy_compression" value="false"/> | |
4820 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4821 <param name="process_lowmemory" value="false"/> | |
4822 <param name="no_peak_picking" value="false"/> | |
4823 <param name="force" value="false"/> | |
4824 <param name="test" value="true"/> | |
4825 </conditional> | |
4826 <param name="in" value="FileConverter_17_input.consensusXML"/> | |
4827 <output name="out" file="FileConverter_17.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
4828 <param name="out_type" value="csv"/> | |
4829 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4830 <output name="ctd_out" ftype="xml"> | |
4831 <assert_contents> | |
4832 <is_valid_xml/> | |
4833 </assert_contents> | |
4834 </output> | |
4835 </test> | |
4836 <test expect_num_outputs="2"> | |
4837 <conditional name="adv_opts_cond"> | |
4838 <param name="adv_opts_selector" value="advanced"/> | |
4839 <param name="UID_postprocessing" value="ensure"/> | |
4840 <param name="TIC_DTA2D" value="false"/> | |
4841 <param name="MGF_compact" value="false"/> | |
4842 <param name="force_MaxQuant_compatibility" value="false"/> | |
4843 <param name="convert_to_chromatograms" value="false"/> | |
4844 <param name="force_TPP_compatibility" value="false"/> | |
4845 <param name="change_im_format" value="none"/> | |
4846 <param name="write_scan_index" value="true"/> | |
4847 <param name="lossy_compression" value="false"/> | |
4848 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4849 <param name="process_lowmemory" value="false"/> | |
4850 <param name="no_peak_picking" value="false"/> | |
4851 <param name="force" value="false"/> | |
4852 <param name="test" value="true"/> | |
4853 </conditional> | |
4854 <param name="in" value="FileConverter_17_input.consensusXML"/> | |
4855 <output name="out" file="FileConverter_17_output.ibspectra.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
4856 <param name="out_type" value="csv"/> | |
4857 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4858 <output name="ctd_out" ftype="xml"> | |
4859 <assert_contents> | |
4860 <is_valid_xml/> | |
4861 </assert_contents> | |
4862 </output> | |
4863 </test> | |
4864 <test expect_num_outputs="2"> | |
4865 <conditional name="adv_opts_cond"> | |
4866 <param name="adv_opts_selector" value="advanced"/> | |
4867 <param name="UID_postprocessing" value="ensure"/> | |
4868 <param name="TIC_DTA2D" value="false"/> | |
4869 <param name="MGF_compact" value="false"/> | |
4870 <param name="force_MaxQuant_compatibility" value="false"/> | |
4871 <param name="convert_to_chromatograms" value="false"/> | |
4872 <param name="force_TPP_compatibility" value="false"/> | |
4873 <param name="change_im_format" value="none"/> | |
4874 <param name="write_scan_index" value="true"/> | |
4875 <param name="lossy_compression" value="false"/> | |
4876 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4877 <param name="process_lowmemory" value="true"/> | |
4878 <param name="no_peak_picking" value="false"/> | |
4879 <param name="force" value="false"/> | |
4880 <param name="test" value="true"/> | |
4881 </conditional> | |
4882 <param name="in" value="FileFilter_1_input.mzML"/> | |
4883 <output name="out" file="FileConverter_19_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4884 <param name="out_type" value="mzML"/> | |
4885 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4886 <output name="ctd_out" ftype="xml"> | |
4887 <assert_contents> | |
4888 <is_valid_xml/> | |
4889 </assert_contents> | |
4890 </output> | |
4891 </test> | |
4892 <test expect_num_outputs="2"> | |
4893 <conditional name="adv_opts_cond"> | |
4894 <param name="adv_opts_selector" value="advanced"/> | |
4895 <param name="UID_postprocessing" value="ensure"/> | |
4896 <param name="TIC_DTA2D" value="false"/> | |
4897 <param name="MGF_compact" value="false"/> | |
4898 <param name="force_MaxQuant_compatibility" value="false"/> | |
4899 <param name="convert_to_chromatograms" value="false"/> | |
4900 <param name="force_TPP_compatibility" value="false"/> | |
4901 <param name="change_im_format" value="none"/> | |
4902 <param name="write_scan_index" value="true"/> | |
4903 <param name="lossy_compression" value="false"/> | |
4904 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4905 <param name="process_lowmemory" value="false"/> | |
4906 <param name="no_peak_picking" value="false"/> | |
4907 <param name="force" value="false"/> | |
4908 <param name="test" value="true"/> | |
4909 </conditional> | |
4910 <param name="in" value="FileConverter_20_input.featureXML"/> | |
4911 <output name="out" file="FileConverter_20_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4912 <param name="out_type" value="featureXML"/> | |
4913 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4914 <output name="ctd_out" ftype="xml"> | |
4915 <assert_contents> | |
4916 <is_valid_xml/> | |
4917 </assert_contents> | |
4918 </output> | |
4919 </test> | |
4920 <test expect_num_outputs="2"> | |
4921 <conditional name="adv_opts_cond"> | |
4922 <param name="adv_opts_selector" value="advanced"/> | |
4923 <param name="UID_postprocessing" value="ensure"/> | |
4924 <param name="TIC_DTA2D" value="false"/> | |
4925 <param name="MGF_compact" value="false"/> | |
4926 <param name="force_MaxQuant_compatibility" value="false"/> | |
4927 <param name="convert_to_chromatograms" value="false"/> | |
4928 <param name="force_TPP_compatibility" value="false"/> | |
4929 <param name="change_im_format" value="none"/> | |
4930 <param name="write_scan_index" value="true"/> | |
4931 <param name="lossy_compression" value="false"/> | |
4932 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4933 <param name="process_lowmemory" value="true"/> | |
4934 <param name="no_peak_picking" value="false"/> | |
4935 <param name="force" value="false"/> | |
4936 <param name="test" value="true"/> | |
4937 </conditional> | |
4938 <param name="in" value="FileConverter_4_input.mzXML"/> | |
4939 <output name="out" file="FileConverter_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4940 <param name="out_type" value="mzML"/> | |
4941 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4942 <output name="ctd_out" ftype="xml"> | |
4943 <assert_contents> | |
4944 <is_valid_xml/> | |
4945 </assert_contents> | |
4946 </output> | |
4947 </test> | |
4948 <test expect_num_outputs="2"> | |
4949 <conditional name="adv_opts_cond"> | |
4950 <param name="adv_opts_selector" value="advanced"/> | |
4951 <param name="UID_postprocessing" value="ensure"/> | |
4952 <param name="TIC_DTA2D" value="false"/> | |
4953 <param name="MGF_compact" value="false"/> | |
4954 <param name="force_MaxQuant_compatibility" value="false"/> | |
4955 <param name="convert_to_chromatograms" value="false"/> | |
4956 <param name="force_TPP_compatibility" value="false"/> | |
4957 <param name="change_im_format" value="none"/> | |
4958 <param name="write_scan_index" value="true"/> | |
4959 <param name="lossy_compression" value="false"/> | |
4960 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4961 <param name="process_lowmemory" value="false"/> | |
4962 <param name="no_peak_picking" value="false"/> | |
4963 <param name="force" value="false"/> | |
4964 <param name="test" value="true"/> | |
4965 </conditional> | |
4966 <param name="in" value="FileConverter_23_input.mzML"/> | |
4967 <output name="out" file="FileConverter_23_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4968 <param name="out_type" value="mzML"/> | |
4969 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4970 <output name="ctd_out" ftype="xml"> | |
4971 <assert_contents> | |
4972 <is_valid_xml/> | |
4973 </assert_contents> | |
4974 </output> | |
4975 </test> | |
4976 <test expect_num_outputs="2"> | |
4977 <conditional name="adv_opts_cond"> | |
4978 <param name="adv_opts_selector" value="advanced"/> | |
4979 <param name="UID_postprocessing" value="ensure"/> | |
4980 <param name="TIC_DTA2D" value="false"/> | |
4981 <param name="MGF_compact" value="false"/> | |
4982 <param name="force_MaxQuant_compatibility" value="false"/> | |
4983 <param name="convert_to_chromatograms" value="false"/> | |
4984 <param name="force_TPP_compatibility" value="false"/> | |
4985 <param name="change_im_format" value="none"/> | |
4986 <param name="write_scan_index" value="true"/> | |
4987 <param name="lossy_compression" value="true"/> | |
4988 <param name="lossy_mass_accuracy" value="0.0001"/> | |
4989 <param name="process_lowmemory" value="true"/> | |
4990 <param name="no_peak_picking" value="false"/> | |
4991 <param name="force" value="false"/> | |
4992 <param name="test" value="true"/> | |
4993 </conditional> | |
4994 <param name="in" value="FileFilter_1_input.mzML"/> | |
4995 <output name="out" file="FileConverter_24_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4996 <param name="out_type" value="mzML"/> | |
4997 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4998 <output name="ctd_out" ftype="xml"> | |
4999 <assert_contents> | |
5000 <is_valid_xml/> | |
5001 </assert_contents> | |
5002 </output> | |
5003 </test> | |
5004 <test expect_num_outputs="2"> | |
5005 <conditional name="adv_opts_cond"> | |
5006 <param name="adv_opts_selector" value="advanced"/> | |
5007 <param name="UID_postprocessing" value="ensure"/> | |
5008 <param name="TIC_DTA2D" value="false"/> | |
5009 <param name="MGF_compact" value="false"/> | |
5010 <param name="force_MaxQuant_compatibility" value="false"/> | |
5011 <param name="convert_to_chromatograms" value="false"/> | |
5012 <param name="force_TPP_compatibility" value="false"/> | |
5013 <param name="change_im_format" value="none"/> | |
5014 <param name="write_scan_index" value="true"/> | |
5015 <param name="lossy_compression" value="true"/> | |
5016 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5017 <param name="process_lowmemory" value="true"/> | |
5018 <param name="no_peak_picking" value="false"/> | |
5019 <param name="force" value="false"/> | |
5020 <param name="test" value="true"/> | |
5021 </conditional> | |
5022 <param name="in" value="FileFilter_1_input.mzML"/> | |
5023 <output name="out" file="FileConverter_25_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5024 <param name="out_type" value="mzML"/> | |
5025 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5026 <output name="ctd_out" ftype="xml"> | |
5027 <assert_contents> | |
5028 <is_valid_xml/> | |
5029 </assert_contents> | |
5030 </output> | |
5031 </test> | |
5032 <test expect_num_outputs="2"> | |
5033 <conditional name="adv_opts_cond"> | |
5034 <param name="adv_opts_selector" value="advanced"/> | |
5035 <param name="UID_postprocessing" value="ensure"/> | |
5036 <param name="TIC_DTA2D" value="false"/> | |
5037 <param name="MGF_compact" value="false"/> | |
5038 <param name="force_MaxQuant_compatibility" value="true"/> | |
5039 <param name="convert_to_chromatograms" value="false"/> | |
5040 <param name="force_TPP_compatibility" value="false"/> | |
5041 <param name="change_im_format" value="none"/> | |
5042 <param name="write_scan_index" value="true"/> | |
5043 <param name="lossy_compression" value="false"/> | |
5044 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5045 <param name="process_lowmemory" value="false"/> | |
5046 <param name="no_peak_picking" value="false"/> | |
5047 <param name="force" value="false"/> | |
5048 <param name="test" value="true"/> | |
5049 </conditional> | |
5050 <param name="in" value="FileFilter_1_input.mzML"/> | |
5051 <output name="out" file="FileConverter_26_output.mzXML" compare="sim_size" delta="5700" ftype="mzxml"/> | |
5052 <param name="out_type" value="mzXML"/> | |
5053 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5054 <output name="ctd_out" ftype="xml"> | |
5055 <assert_contents> | |
5056 <is_valid_xml/> | |
5057 </assert_contents> | |
5058 </output> | |
5059 </test> | |
5060 <test expect_num_outputs="2"> | |
5061 <conditional name="adv_opts_cond"> | |
5062 <param name="adv_opts_selector" value="advanced"/> | |
5063 <param name="UID_postprocessing" value="ensure"/> | |
5064 <param name="TIC_DTA2D" value="false"/> | |
5065 <param name="MGF_compact" value="false"/> | |
5066 <param name="force_MaxQuant_compatibility" value="true"/> | |
5067 <param name="convert_to_chromatograms" value="false"/> | |
5068 <param name="force_TPP_compatibility" value="false"/> | |
5069 <param name="change_im_format" value="none"/> | |
5070 <param name="write_scan_index" value="true"/> | |
5071 <param name="lossy_compression" value="false"/> | |
5072 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5073 <param name="process_lowmemory" value="false"/> | |
5074 <param name="no_peak_picking" value="false"/> | |
5075 <param name="force" value="false"/> | |
5076 <param name="test" value="true"/> | |
5077 </conditional> | |
5078 <param name="in" value="FileConverter_26_output.mzXML"/> | |
5079 <output name="out" file="FileConverter_26-2_output.mzXML" compare="sim_size" delta="5700" ftype="mzxml"/> | |
5080 <param name="out_type" value="mzXML"/> | |
5081 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5082 <output name="ctd_out" ftype="xml"> | |
5083 <assert_contents> | |
5084 <is_valid_xml/> | |
5085 </assert_contents> | |
5086 </output> | |
5087 </test> | |
5088 <test expect_num_outputs="2"> | |
5089 <conditional name="adv_opts_cond"> | |
5090 <param name="adv_opts_selector" value="advanced"/> | |
5091 <param name="UID_postprocessing" value="ensure"/> | |
5092 <param name="TIC_DTA2D" value="false"/> | |
5093 <param name="MGF_compact" value="false"/> | |
5094 <param name="force_MaxQuant_compatibility" value="false"/> | |
5095 <param name="convert_to_chromatograms" value="true"/> | |
5096 <param name="force_TPP_compatibility" value="false"/> | |
5097 <param name="change_im_format" value="none"/> | |
5098 <param name="write_scan_index" value="true"/> | |
5099 <param name="lossy_compression" value="false"/> | |
5100 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5101 <param name="process_lowmemory" value="false"/> | |
5102 <param name="no_peak_picking" value="false"/> | |
5103 <param name="force" value="false"/> | |
5104 <param name="test" value="true"/> | |
5105 </conditional> | |
5106 <param name="in" value="FileConverter_27_input.mzML"/> | |
5107 <output name="out" file="FileConverter_27_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5108 <param name="out_type" value="mzML"/> | |
5109 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5110 <output name="ctd_out" ftype="xml"> | |
5111 <assert_contents> | |
5112 <is_valid_xml/> | |
5113 </assert_contents> | |
5114 </output> | |
5115 </test> | |
5116 <test expect_num_outputs="2"> | |
5117 <conditional name="adv_opts_cond"> | |
5118 <param name="adv_opts_selector" value="advanced"/> | |
5119 <param name="UID_postprocessing" value="ensure"/> | |
5120 <param name="TIC_DTA2D" value="false"/> | |
5121 <param name="MGF_compact" value="false"/> | |
5122 <param name="force_MaxQuant_compatibility" value="false"/> | |
5123 <param name="convert_to_chromatograms" value="true"/> | |
5124 <param name="force_TPP_compatibility" value="false"/> | |
5125 <param name="change_im_format" value="none"/> | |
5126 <param name="write_scan_index" value="true"/> | |
5127 <param name="lossy_compression" value="false"/> | |
5128 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5129 <param name="process_lowmemory" value="false"/> | |
5130 <param name="no_peak_picking" value="false"/> | |
5131 <param name="force" value="false"/> | |
5132 <param name="test" value="true"/> | |
5133 </conditional> | |
5134 <param name="in" value="FileConverter_28_input.mzML"/> | |
5135 <output name="out" file="FileConverter_28_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5136 <param name="out_type" value="mzML"/> | |
5137 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5138 <output name="ctd_out" ftype="xml"> | |
5139 <assert_contents> | |
5140 <is_valid_xml/> | |
5141 </assert_contents> | |
5142 </output> | |
5143 </test> | |
5144 <test expect_num_outputs="2"> | |
5145 <conditional name="adv_opts_cond"> | |
5146 <param name="adv_opts_selector" value="advanced"/> | |
5147 <param name="UID_postprocessing" value="ensure"/> | |
5148 <param name="TIC_DTA2D" value="false"/> | |
5149 <param name="MGF_compact" value="false"/> | |
5150 <param name="force_MaxQuant_compatibility" value="false"/> | |
5151 <param name="convert_to_chromatograms" value="false"/> | |
5152 <param name="force_TPP_compatibility" value="false"/> | |
5153 <param name="change_im_format" value="none"/> | |
5154 <param name="write_scan_index" value="true"/> | |
5155 <param name="lossy_compression" value="true"/> | |
5156 <param name="lossy_mass_accuracy" value="1e-05"/> | |
5157 <param name="process_lowmemory" value="true"/> | |
5158 <param name="no_peak_picking" value="false"/> | |
5159 <param name="force" value="false"/> | |
5160 <param name="test" value="true"/> | |
5161 </conditional> | |
5162 <param name="in" value="OpenSwathWorkflow_17_input.mzML"/> | |
5163 <output name="out" file="FileConverter_29_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5164 <param name="out_type" value="mzML"/> | |
5165 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5166 <output name="ctd_out" ftype="xml"> | |
5167 <assert_contents> | |
5168 <is_valid_xml/> | |
5169 </assert_contents> | |
5170 </output> | |
5171 </test> | |
5172 <test expect_num_outputs="2"> | |
5173 <conditional name="adv_opts_cond"> | |
5174 <param name="adv_opts_selector" value="advanced"/> | |
5175 <param name="UID_postprocessing" value="ensure"/> | |
5176 <param name="TIC_DTA2D" value="false"/> | |
5177 <param name="MGF_compact" value="false"/> | |
5178 <param name="force_MaxQuant_compatibility" value="false"/> | |
5179 <param name="convert_to_chromatograms" value="false"/> | |
5180 <param name="force_TPP_compatibility" value="false"/> | |
5181 <param name="change_im_format" value="none"/> | |
5182 <param name="write_scan_index" value="true"/> | |
5183 <param name="lossy_compression" value="false"/> | |
5184 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5185 <param name="process_lowmemory" value="false"/> | |
5186 <param name="no_peak_picking" value="false"/> | |
5187 <param name="force" value="false"/> | |
5188 <param name="test" value="true"/> | |
5189 </conditional> | |
5190 <param name="in" value="FileConverter_29_output.mzML"/> | |
5191 <output name="out" file="FileConverter_29.back.tmp" compare="sim_size" delta="5700"/> | |
5192 <param name="out_type" value="mzML"/> | |
5193 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5194 <output name="ctd_out" ftype="xml"> | |
5195 <assert_contents> | |
5196 <is_valid_xml/> | |
5197 </assert_contents> | |
5198 </output> | |
5199 </test> | |
5200 <test expect_num_outputs="2"> | |
5201 <conditional name="adv_opts_cond"> | |
5202 <param name="adv_opts_selector" value="advanced"/> | |
5203 <param name="UID_postprocessing" value="ensure"/> | |
5204 <param name="TIC_DTA2D" value="false"/> | |
5205 <param name="MGF_compact" value="false"/> | |
5206 <param name="force_MaxQuant_compatibility" value="false"/> | |
5207 <param name="convert_to_chromatograms" value="false"/> | |
5208 <param name="force_TPP_compatibility" value="false"/> | |
5209 <param name="change_im_format" value="multiple"/> | |
5210 <param name="write_scan_index" value="true"/> | |
5211 <param name="lossy_compression" value="false"/> | |
5212 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5213 <param name="process_lowmemory" value="false"/> | |
5214 <param name="no_peak_picking" value="false"/> | |
5215 <param name="force" value="false"/> | |
5216 <param name="test" value="true"/> | |
5217 </conditional> | |
5218 <param name="in" value="FileConverter_30_input.mzML"/> | |
5219 <output name="out" file="FileConverter_30_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5220 <param name="out_type" value="mzML"/> | |
5221 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5222 <output name="ctd_out" ftype="xml"> | |
5223 <assert_contents> | |
5224 <is_valid_xml/> | |
5225 </assert_contents> | |
5226 </output> | |
5227 </test> | |
5228 <test expect_num_outputs="2"> | |
5229 <conditional name="adv_opts_cond"> | |
5230 <param name="adv_opts_selector" value="advanced"/> | |
5231 <param name="UID_postprocessing" value="ensure"/> | |
5232 <param name="TIC_DTA2D" value="false"/> | |
5233 <param name="MGF_compact" value="false"/> | |
5234 <param name="force_MaxQuant_compatibility" value="false"/> | |
5235 <param name="convert_to_chromatograms" value="false"/> | |
5236 <param name="force_TPP_compatibility" value="false"/> | |
5237 <param name="change_im_format" value="single"/> | |
5238 <param name="write_scan_index" value="true"/> | |
5239 <param name="lossy_compression" value="false"/> | |
5240 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5241 <param name="process_lowmemory" value="false"/> | |
5242 <param name="no_peak_picking" value="false"/> | |
5243 <param name="force" value="false"/> | |
5244 <param name="test" value="true"/> | |
5245 </conditional> | |
5246 <param name="in" value="FileConverter_30_output.mzML"/> | |
5247 <output name="out" file="FileConverter_31_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5248 <param name="out_type" value="mzML"/> | |
5249 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5250 <output name="ctd_out" ftype="xml"> | |
5251 <assert_contents> | |
5252 <is_valid_xml/> | |
5253 </assert_contents> | |
5254 </output> | |
5255 </test> | |
5256 <test expect_num_outputs="2"> | |
5257 <conditional name="adv_opts_cond"> | |
5258 <param name="adv_opts_selector" value="advanced"/> | |
5259 <param name="UID_postprocessing" value="ensure"/> | |
5260 <param name="TIC_DTA2D" value="false"/> | |
5261 <param name="MGF_compact" value="false"/> | |
5262 <param name="force_MaxQuant_compatibility" value="false"/> | |
5263 <param name="convert_to_chromatograms" value="false"/> | |
5264 <param name="force_TPP_compatibility" value="false"/> | |
5265 <param name="change_im_format" value="none"/> | |
5266 <param name="write_scan_index" value="true"/> | |
5267 <param name="lossy_compression" value="false"/> | |
5268 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5269 <param name="process_lowmemory" value="false"/> | |
5270 <param name="no_peak_picking" value="false"/> | |
5271 <param name="force" value="false"/> | |
5272 <param name="test" value="true"/> | |
5273 </conditional> | |
5274 <param name="in" value="FileConverter_32_input.mzML"/> | |
5275 <output name="out" file="FileConverter_32_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5276 <param name="out_type" value="mzML"/> | |
5277 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5278 <output name="ctd_out" ftype="xml"> | |
5279 <assert_contents> | |
5280 <is_valid_xml/> | |
5281 </assert_contents> | |
5282 </output> | |
5283 </test> | |
5284 <test expect_num_outputs="2"> | |
5285 <conditional name="adv_opts_cond"> | |
5286 <param name="adv_opts_selector" value="advanced"/> | |
5287 <param name="UID_postprocessing" value="ensure"/> | |
5288 <param name="TIC_DTA2D" value="false"/> | |
5289 <param name="MGF_compact" value="false"/> | |
5290 <param name="force_MaxQuant_compatibility" value="false"/> | |
5291 <param name="convert_to_chromatograms" value="false"/> | |
5292 <param name="force_TPP_compatibility" value="false"/> | |
5293 <param name="change_im_format" value="none"/> | |
5294 <param name="write_scan_index" value="true"/> | |
5295 <param name="lossy_compression" value="false"/> | |
5296 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5297 <param name="process_lowmemory" value="false"/> | |
5298 <param name="no_peak_picking" value="false"/> | |
5299 <param name="force" value="false"/> | |
5300 <param name="test" value="true"/> | |
5301 </conditional> | |
5302 <param name="in" value="ginkgotoxin-ms-switching.raw"/> | |
5303 <output name="out" file="ginkgotoxin-ms-switching_out_tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5304 <param name="out_type" value="mzml"/> | |
5305 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5306 <output name="ctd_out" ftype="xml"> | |
5307 <assert_contents> | |
5308 <is_valid_xml/> | |
5309 </assert_contents> | |
5310 </output> | |
5311 </test> | |
5312 </xml> | |
5313 <xml name="autotest_FileFilter"> | |
5314 <test expect_num_outputs="2"> | |
5315 <conditional name="adv_opts_cond"> | |
5316 <param name="adv_opts_selector" value="advanced"/> | |
5317 <param name="force" value="false"/> | |
5318 <param name="test" value="true"/> | |
5319 </conditional> | |
5320 <param name="in" value="FileFilter_1_input.mzML"/> | |
5321 <output name="out" file="FileFilter_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5322 <param name="out_type" value="mzML"/> | |
5323 <param name="rt" value=":30"/> | |
5324 <param name="mz" value=":1000"/> | |
5325 <param name="int" value=":20000"/> | |
5326 <param name="sort" value="false"/> | |
5327 <section name="peak_options"> | |
5328 <param name="sn" value="0.0"/> | |
5329 <param name="rm_pc_charge" value=""/> | |
5330 <param name="pc_mz_range" value=":"/> | |
5331 <param name="pc_mz_list" value=""/> | |
5332 <param name="level" value="1 2 3"/> | |
5333 <param name="sort_peaks" value="false"/> | |
5334 <param name="no_chromatograms" value="false"/> | |
5335 <param name="remove_chromatograms" value="false"/> | |
5336 <param name="remove_empty" value="false"/> | |
5337 <param name="mz_precision" value="64"/> | |
5338 <param name="int_precision" value="32"/> | |
5339 <param name="indexed_file" value="true"/> | |
5340 <param name="zlib_compression" value="false"/> | |
5341 <section name="numpress"> | |
5342 <param name="masstime" value="none"/> | |
5343 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5344 <param name="intensity" value="none"/> | |
5345 <param name="float_da" value="none"/> | |
5346 </section> | |
5347 </section> | |
5348 <section name="spectra"> | |
5349 <param name="remove_zoom" value="false"/> | |
5350 <param name="remove_mode" value=""/> | |
5351 <param name="remove_activation" value=""/> | |
5352 <param name="remove_collision_energy" value=":"/> | |
5353 <param name="remove_isolation_window_width" value=":"/> | |
5354 <param name="select_zoom" value="false"/> | |
5355 <param name="select_mode" value=""/> | |
5356 <param name="select_activation" value=""/> | |
5357 <param name="select_collision_energy" value=":"/> | |
5358 <param name="select_isolation_window_width" value=":"/> | |
5359 <param name="select_polarity" value=""/> | |
5360 <section name="blackorwhitelist"> | |
5361 <param name="similarity_threshold" value="-1.0"/> | |
5362 <param name="rt" value="0.01"/> | |
5363 <param name="mz" value="0.01"/> | |
5364 <param name="use_ppm_tolerance" value="false"/> | |
5365 <param name="blacklist" value="true"/> | |
5366 </section> | |
5367 </section> | |
5368 <section name="feature"> | |
5369 <param name="q" value=":"/> | |
5370 </section> | |
5371 <section name="consensus"> | |
5372 <param name="map" value=""/> | |
5373 <param name="map_and" value="false"/> | |
5374 <section name="blackorwhitelist"> | |
5375 <param name="blacklist" value="true"/> | |
5376 <param name="maps" value=""/> | |
5377 <param name="rt" value="60.0"/> | |
5378 <param name="mz" value="0.01"/> | |
5379 <param name="use_ppm_tolerance" value="false"/> | |
5380 </section> | |
5381 </section> | |
5382 <section name="f_and_c"> | |
5383 <param name="charge" value=":"/> | |
5384 <param name="size" value=":"/> | |
5385 <param name="remove_meta" value=""/> | |
5386 </section> | |
5387 <section name="id"> | |
5388 <param name="remove_clashes" value="false"/> | |
5389 <param name="keep_best_score_id" value="false"/> | |
5390 <param name="sequences_whitelist" value=""/> | |
5391 <param name="sequence_comparison_method" value="substring"/> | |
5392 <param name="accessions_whitelist" value=""/> | |
5393 <param name="remove_annotated_features" value="false"/> | |
5394 <param name="remove_unannotated_features" value="false"/> | |
5395 <param name="remove_unassigned_ids" value="false"/> | |
5396 <param name="rt" value="0.1"/> | |
5397 <param name="mz" value="0.001"/> | |
5398 <param name="blacklist_imperfect" value="false"/> | |
5399 </section> | |
5400 <section name="algorithm"> | |
5401 <section name="SignalToNoise"> | |
5402 <param name="max_intensity" value="-1"/> | |
5403 <param name="auto_max_stdev_factor" value="3.0"/> | |
5404 <param name="auto_max_percentile" value="95"/> | |
5405 <param name="auto_mode" value="0"/> | |
5406 <param name="win_len" value="200.0"/> | |
5407 <param name="bin_count" value="30"/> | |
5408 <param name="min_required_elements" value="10"/> | |
5409 <param name="noise_for_empty_window" value="1e+20"/> | |
5410 <param name="write_log_messages" value="true"/> | |
5411 </section> | |
5412 </section> | |
5413 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5414 <output name="ctd_out" ftype="xml"> | |
5415 <assert_contents> | |
5416 <is_valid_xml/> | |
5417 </assert_contents> | |
5418 </output> | |
5419 </test> | |
5420 <test expect_num_outputs="2"> | |
5421 <conditional name="adv_opts_cond"> | |
5422 <param name="adv_opts_selector" value="advanced"/> | |
5423 <param name="force" value="false"/> | |
5424 <param name="test" value="true"/> | |
5425 </conditional> | |
5426 <param name="in" value="FileFilter_1_input.mzML"/> | |
5427 <output name="out" file="FileFilter_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5428 <param name="out_type" value="mzML"/> | |
5429 <param name="rt" value="30:"/> | |
5430 <param name="mz" value="1000:"/> | |
5431 <param name="int" value="100:"/> | |
5432 <param name="sort" value="false"/> | |
5433 <section name="peak_options"> | |
5434 <param name="sn" value="0.0"/> | |
5435 <param name="rm_pc_charge" value=""/> | |
5436 <param name="pc_mz_range" value=":"/> | |
5437 <param name="pc_mz_list" value=""/> | |
5438 <param name="level" value="1 2 3"/> | |
5439 <param name="sort_peaks" value="false"/> | |
5440 <param name="no_chromatograms" value="false"/> | |
5441 <param name="remove_chromatograms" value="false"/> | |
5442 <param name="remove_empty" value="false"/> | |
5443 <param name="mz_precision" value="64"/> | |
5444 <param name="int_precision" value="32"/> | |
5445 <param name="indexed_file" value="true"/> | |
5446 <param name="zlib_compression" value="false"/> | |
5447 <section name="numpress"> | |
5448 <param name="masstime" value="none"/> | |
5449 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5450 <param name="intensity" value="none"/> | |
5451 <param name="float_da" value="none"/> | |
5452 </section> | |
5453 </section> | |
5454 <section name="spectra"> | |
5455 <param name="remove_zoom" value="false"/> | |
5456 <param name="remove_mode" value=""/> | |
5457 <param name="remove_activation" value=""/> | |
5458 <param name="remove_collision_energy" value=":"/> | |
5459 <param name="remove_isolation_window_width" value=":"/> | |
5460 <param name="select_zoom" value="false"/> | |
5461 <param name="select_mode" value=""/> | |
5462 <param name="select_activation" value=""/> | |
5463 <param name="select_collision_energy" value=":"/> | |
5464 <param name="select_isolation_window_width" value=":"/> | |
5465 <param name="select_polarity" value=""/> | |
5466 <section name="blackorwhitelist"> | |
5467 <param name="similarity_threshold" value="-1.0"/> | |
5468 <param name="rt" value="0.01"/> | |
5469 <param name="mz" value="0.01"/> | |
5470 <param name="use_ppm_tolerance" value="false"/> | |
5471 <param name="blacklist" value="true"/> | |
5472 </section> | |
5473 </section> | |
5474 <section name="feature"> | |
5475 <param name="q" value=":"/> | |
5476 </section> | |
5477 <section name="consensus"> | |
5478 <param name="map" value=""/> | |
5479 <param name="map_and" value="false"/> | |
5480 <section name="blackorwhitelist"> | |
5481 <param name="blacklist" value="true"/> | |
5482 <param name="maps" value=""/> | |
5483 <param name="rt" value="60.0"/> | |
5484 <param name="mz" value="0.01"/> | |
5485 <param name="use_ppm_tolerance" value="false"/> | |
5486 </section> | |
5487 </section> | |
5488 <section name="f_and_c"> | |
5489 <param name="charge" value=":"/> | |
5490 <param name="size" value=":"/> | |
5491 <param name="remove_meta" value=""/> | |
5492 </section> | |
5493 <section name="id"> | |
5494 <param name="remove_clashes" value="false"/> | |
5495 <param name="keep_best_score_id" value="false"/> | |
5496 <param name="sequences_whitelist" value=""/> | |
5497 <param name="sequence_comparison_method" value="substring"/> | |
5498 <param name="accessions_whitelist" value=""/> | |
5499 <param name="remove_annotated_features" value="false"/> | |
5500 <param name="remove_unannotated_features" value="false"/> | |
5501 <param name="remove_unassigned_ids" value="false"/> | |
5502 <param name="rt" value="0.1"/> | |
5503 <param name="mz" value="0.001"/> | |
5504 <param name="blacklist_imperfect" value="false"/> | |
5505 </section> | |
5506 <section name="algorithm"> | |
5507 <section name="SignalToNoise"> | |
5508 <param name="max_intensity" value="-1"/> | |
5509 <param name="auto_max_stdev_factor" value="3.0"/> | |
5510 <param name="auto_max_percentile" value="95"/> | |
5511 <param name="auto_mode" value="0"/> | |
5512 <param name="win_len" value="200.0"/> | |
5513 <param name="bin_count" value="30"/> | |
5514 <param name="min_required_elements" value="10"/> | |
5515 <param name="noise_for_empty_window" value="1e+20"/> | |
5516 <param name="write_log_messages" value="true"/> | |
5517 </section> | |
5518 </section> | |
5519 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5520 <output name="ctd_out" ftype="xml"> | |
5521 <assert_contents> | |
5522 <is_valid_xml/> | |
5523 </assert_contents> | |
5524 </output> | |
5525 </test> | |
5526 <test expect_num_outputs="2"> | |
5527 <conditional name="adv_opts_cond"> | |
5528 <param name="adv_opts_selector" value="advanced"/> | |
5529 <param name="force" value="false"/> | |
5530 <param name="test" value="true"/> | |
5531 </conditional> | |
5532 <param name="in" value="FileFilter_1_input.mzML"/> | |
5533 <output name="out" file="FileFilter_3_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5534 <param name="out_type" value="mzML"/> | |
5535 <param name="rt" value=":"/> | |
5536 <param name="mz" value=":"/> | |
5537 <param name="int" value=":"/> | |
5538 <param name="sort" value="false"/> | |
5539 <section name="peak_options"> | |
5540 <param name="sn" value="0.0"/> | |
5541 <param name="rm_pc_charge" value=""/> | |
5542 <param name="pc_mz_range" value=":"/> | |
5543 <param name="pc_mz_list" value=""/> | |
5544 <param name="level" value="2"/> | |
5545 <param name="sort_peaks" value="false"/> | |
5546 <param name="no_chromatograms" value="false"/> | |
5547 <param name="remove_chromatograms" value="false"/> | |
5548 <param name="remove_empty" value="false"/> | |
5549 <param name="mz_precision" value="64"/> | |
5550 <param name="int_precision" value="32"/> | |
5551 <param name="indexed_file" value="true"/> | |
5552 <param name="zlib_compression" value="false"/> | |
5553 <section name="numpress"> | |
5554 <param name="masstime" value="none"/> | |
5555 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5556 <param name="intensity" value="none"/> | |
5557 <param name="float_da" value="none"/> | |
5558 </section> | |
5559 </section> | |
5560 <section name="spectra"> | |
5561 <param name="remove_zoom" value="false"/> | |
5562 <param name="remove_mode" value=""/> | |
5563 <param name="remove_activation" value=""/> | |
5564 <param name="remove_collision_energy" value=":"/> | |
5565 <param name="remove_isolation_window_width" value=":"/> | |
5566 <param name="select_zoom" value="false"/> | |
5567 <param name="select_mode" value=""/> | |
5568 <param name="select_activation" value=""/> | |
5569 <param name="select_collision_energy" value=":"/> | |
5570 <param name="select_isolation_window_width" value=":"/> | |
5571 <param name="select_polarity" value=""/> | |
5572 <section name="blackorwhitelist"> | |
5573 <param name="similarity_threshold" value="-1.0"/> | |
5574 <param name="rt" value="0.01"/> | |
5575 <param name="mz" value="0.01"/> | |
5576 <param name="use_ppm_tolerance" value="false"/> | |
5577 <param name="blacklist" value="true"/> | |
5578 </section> | |
5579 </section> | |
5580 <section name="feature"> | |
5581 <param name="q" value=":"/> | |
5582 </section> | |
5583 <section name="consensus"> | |
5584 <param name="map" value=""/> | |
5585 <param name="map_and" value="false"/> | |
5586 <section name="blackorwhitelist"> | |
5587 <param name="blacklist" value="true"/> | |
5588 <param name="maps" value=""/> | |
5589 <param name="rt" value="60.0"/> | |
5590 <param name="mz" value="0.01"/> | |
5591 <param name="use_ppm_tolerance" value="false"/> | |
5592 </section> | |
5593 </section> | |
5594 <section name="f_and_c"> | |
5595 <param name="charge" value=":"/> | |
5596 <param name="size" value=":"/> | |
5597 <param name="remove_meta" value=""/> | |
5598 </section> | |
5599 <section name="id"> | |
5600 <param name="remove_clashes" value="false"/> | |
5601 <param name="keep_best_score_id" value="false"/> | |
5602 <param name="sequences_whitelist" value=""/> | |
5603 <param name="sequence_comparison_method" value="substring"/> | |
5604 <param name="accessions_whitelist" value=""/> | |
5605 <param name="remove_annotated_features" value="false"/> | |
5606 <param name="remove_unannotated_features" value="false"/> | |
5607 <param name="remove_unassigned_ids" value="false"/> | |
5608 <param name="rt" value="0.1"/> | |
5609 <param name="mz" value="0.001"/> | |
5610 <param name="blacklist_imperfect" value="false"/> | |
5611 </section> | |
5612 <section name="algorithm"> | |
5613 <section name="SignalToNoise"> | |
5614 <param name="max_intensity" value="-1"/> | |
5615 <param name="auto_max_stdev_factor" value="3.0"/> | |
5616 <param name="auto_max_percentile" value="95"/> | |
5617 <param name="auto_mode" value="0"/> | |
5618 <param name="win_len" value="200.0"/> | |
5619 <param name="bin_count" value="30"/> | |
5620 <param name="min_required_elements" value="10"/> | |
5621 <param name="noise_for_empty_window" value="1e+20"/> | |
5622 <param name="write_log_messages" value="true"/> | |
5623 </section> | |
5624 </section> | |
5625 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5626 <output name="ctd_out" ftype="xml"> | |
5627 <assert_contents> | |
5628 <is_valid_xml/> | |
5629 </assert_contents> | |
5630 </output> | |
5631 </test> | |
5632 <test expect_num_outputs="2"> | |
5633 <conditional name="adv_opts_cond"> | |
5634 <param name="adv_opts_selector" value="advanced"/> | |
5635 <param name="force" value="false"/> | |
5636 <param name="test" value="true"/> | |
5637 </conditional> | |
5638 <param name="in" value="FileFilter_4_input.mzML"/> | |
5639 <output name="out" file="FileFilter_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5640 <param name="out_type" value="mzML"/> | |
5641 <param name="rt" value=":"/> | |
5642 <param name="mz" value=":"/> | |
5643 <param name="int" value=":"/> | |
5644 <param name="sort" value="false"/> | |
5645 <section name="peak_options"> | |
5646 <param name="sn" value="0.0"/> | |
5647 <param name="rm_pc_charge" value=""/> | |
5648 <param name="pc_mz_range" value=":"/> | |
5649 <param name="pc_mz_list" value=""/> | |
5650 <param name="level" value="1 2 3"/> | |
5651 <param name="sort_peaks" value="false"/> | |
5652 <param name="no_chromatograms" value="false"/> | |
5653 <param name="remove_chromatograms" value="false"/> | |
5654 <param name="remove_empty" value="false"/> | |
5655 <param name="mz_precision" value="64"/> | |
5656 <param name="int_precision" value="32"/> | |
5657 <param name="indexed_file" value="true"/> | |
5658 <param name="zlib_compression" value="false"/> | |
5659 <section name="numpress"> | |
5660 <param name="masstime" value="none"/> | |
5661 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5662 <param name="intensity" value="none"/> | |
5663 <param name="float_da" value="none"/> | |
5664 </section> | |
5665 </section> | |
5666 <section name="spectra"> | |
5667 <param name="remove_zoom" value="true"/> | |
5668 <param name="remove_mode" value=""/> | |
5669 <param name="remove_activation" value=""/> | |
5670 <param name="remove_collision_energy" value=":"/> | |
5671 <param name="remove_isolation_window_width" value=":"/> | |
5672 <param name="select_zoom" value="false"/> | |
5673 <param name="select_mode" value=""/> | |
5674 <param name="select_activation" value=""/> | |
5675 <param name="select_collision_energy" value=":"/> | |
5676 <param name="select_isolation_window_width" value=":"/> | |
5677 <param name="select_polarity" value=""/> | |
5678 <section name="blackorwhitelist"> | |
5679 <param name="similarity_threshold" value="-1.0"/> | |
5680 <param name="rt" value="0.01"/> | |
5681 <param name="mz" value="0.01"/> | |
5682 <param name="use_ppm_tolerance" value="false"/> | |
5683 <param name="blacklist" value="true"/> | |
5684 </section> | |
5685 </section> | |
5686 <section name="feature"> | |
5687 <param name="q" value=":"/> | |
5688 </section> | |
5689 <section name="consensus"> | |
5690 <param name="map" value=""/> | |
5691 <param name="map_and" value="false"/> | |
5692 <section name="blackorwhitelist"> | |
5693 <param name="blacklist" value="true"/> | |
5694 <param name="maps" value=""/> | |
5695 <param name="rt" value="60.0"/> | |
5696 <param name="mz" value="0.01"/> | |
5697 <param name="use_ppm_tolerance" value="false"/> | |
5698 </section> | |
5699 </section> | |
5700 <section name="f_and_c"> | |
5701 <param name="charge" value=":"/> | |
5702 <param name="size" value=":"/> | |
5703 <param name="remove_meta" value=""/> | |
5704 </section> | |
5705 <section name="id"> | |
5706 <param name="remove_clashes" value="false"/> | |
5707 <param name="keep_best_score_id" value="false"/> | |
5708 <param name="sequences_whitelist" value=""/> | |
5709 <param name="sequence_comparison_method" value="substring"/> | |
5710 <param name="accessions_whitelist" value=""/> | |
5711 <param name="remove_annotated_features" value="false"/> | |
5712 <param name="remove_unannotated_features" value="false"/> | |
5713 <param name="remove_unassigned_ids" value="false"/> | |
5714 <param name="rt" value="0.1"/> | |
5715 <param name="mz" value="0.001"/> | |
5716 <param name="blacklist_imperfect" value="false"/> | |
5717 </section> | |
5718 <section name="algorithm"> | |
5719 <section name="SignalToNoise"> | |
5720 <param name="max_intensity" value="-1"/> | |
5721 <param name="auto_max_stdev_factor" value="3.0"/> | |
5722 <param name="auto_max_percentile" value="95"/> | |
5723 <param name="auto_mode" value="0"/> | |
5724 <param name="win_len" value="200.0"/> | |
5725 <param name="bin_count" value="30"/> | |
5726 <param name="min_required_elements" value="10"/> | |
5727 <param name="noise_for_empty_window" value="1e+20"/> | |
5728 <param name="write_log_messages" value="true"/> | |
5729 </section> | |
5730 </section> | |
5731 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5732 <output name="ctd_out" ftype="xml"> | |
5733 <assert_contents> | |
5734 <is_valid_xml/> | |
5735 </assert_contents> | |
5736 </output> | |
5737 </test> | |
5738 <test expect_num_outputs="2"> | |
5739 <conditional name="adv_opts_cond"> | |
5740 <param name="adv_opts_selector" value="advanced"/> | |
5741 <param name="force" value="false"/> | |
5742 <param name="test" value="true"/> | |
5743 </conditional> | |
5744 <param name="in" value="FileFilter_5_input.featureXML"/> | |
5745 <output name="out" file="FileFilter_5_out.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
5746 <param name="out_type" value="featureXML"/> | |
5747 <param name="rt" value=":1000"/> | |
5748 <param name="mz" value=":480"/> | |
5749 <param name="int" value=":79000"/> | |
5750 <param name="sort" value="false"/> | |
5751 <section name="peak_options"> | |
5752 <param name="sn" value="0.0"/> | |
5753 <param name="rm_pc_charge" value=""/> | |
5754 <param name="pc_mz_range" value=":"/> | |
5755 <param name="pc_mz_list" value=""/> | |
5756 <param name="level" value="1 2 3"/> | |
5757 <param name="sort_peaks" value="false"/> | |
5758 <param name="no_chromatograms" value="false"/> | |
5759 <param name="remove_chromatograms" value="false"/> | |
5760 <param name="remove_empty" value="false"/> | |
5761 <param name="mz_precision" value="64"/> | |
5762 <param name="int_precision" value="32"/> | |
5763 <param name="indexed_file" value="true"/> | |
5764 <param name="zlib_compression" value="false"/> | |
5765 <section name="numpress"> | |
5766 <param name="masstime" value="none"/> | |
5767 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5768 <param name="intensity" value="none"/> | |
5769 <param name="float_da" value="none"/> | |
5770 </section> | |
5771 </section> | |
5772 <section name="spectra"> | |
5773 <param name="remove_zoom" value="false"/> | |
5774 <param name="remove_mode" value=""/> | |
5775 <param name="remove_activation" value=""/> | |
5776 <param name="remove_collision_energy" value=":"/> | |
5777 <param name="remove_isolation_window_width" value=":"/> | |
5778 <param name="select_zoom" value="false"/> | |
5779 <param name="select_mode" value=""/> | |
5780 <param name="select_activation" value=""/> | |
5781 <param name="select_collision_energy" value=":"/> | |
5782 <param name="select_isolation_window_width" value=":"/> | |
5783 <param name="select_polarity" value=""/> | |
5784 <section name="blackorwhitelist"> | |
5785 <param name="similarity_threshold" value="-1.0"/> | |
5786 <param name="rt" value="0.01"/> | |
5787 <param name="mz" value="0.01"/> | |
5788 <param name="use_ppm_tolerance" value="false"/> | |
5789 <param name="blacklist" value="true"/> | |
5790 </section> | |
5791 </section> | |
5792 <section name="feature"> | |
5793 <param name="q" value=":0.6"/> | |
5794 </section> | |
5795 <section name="consensus"> | |
5796 <param name="map" value=""/> | |
5797 <param name="map_and" value="false"/> | |
5798 <section name="blackorwhitelist"> | |
5799 <param name="blacklist" value="true"/> | |
5800 <param name="maps" value=""/> | |
5801 <param name="rt" value="60.0"/> | |
5802 <param name="mz" value="0.01"/> | |
5803 <param name="use_ppm_tolerance" value="false"/> | |
5804 </section> | |
5805 </section> | |
5806 <section name="f_and_c"> | |
5807 <param name="charge" value=":3"/> | |
5808 <param name="size" value=":"/> | |
5809 <param name="remove_meta" value=""/> | |
5810 </section> | |
5811 <section name="id"> | |
5812 <param name="remove_clashes" value="false"/> | |
5813 <param name="keep_best_score_id" value="false"/> | |
5814 <param name="sequences_whitelist" value=""/> | |
5815 <param name="sequence_comparison_method" value="substring"/> | |
5816 <param name="accessions_whitelist" value=""/> | |
5817 <param name="remove_annotated_features" value="false"/> | |
5818 <param name="remove_unannotated_features" value="false"/> | |
5819 <param name="remove_unassigned_ids" value="false"/> | |
5820 <param name="rt" value="0.1"/> | |
5821 <param name="mz" value="0.001"/> | |
5822 <param name="blacklist_imperfect" value="false"/> | |
5823 </section> | |
5824 <section name="algorithm"> | |
5825 <section name="SignalToNoise"> | |
5826 <param name="max_intensity" value="-1"/> | |
5827 <param name="auto_max_stdev_factor" value="3.0"/> | |
5828 <param name="auto_max_percentile" value="95"/> | |
5829 <param name="auto_mode" value="0"/> | |
5830 <param name="win_len" value="200.0"/> | |
5831 <param name="bin_count" value="30"/> | |
5832 <param name="min_required_elements" value="10"/> | |
5833 <param name="noise_for_empty_window" value="1e+20"/> | |
5834 <param name="write_log_messages" value="true"/> | |
5835 </section> | |
5836 </section> | |
5837 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5838 <output name="ctd_out" ftype="xml"> | |
5839 <assert_contents> | |
5840 <is_valid_xml/> | |
5841 </assert_contents> | |
5842 </output> | |
5843 </test> | |
5844 <test expect_num_outputs="2"> | |
5845 <conditional name="adv_opts_cond"> | |
5846 <param name="adv_opts_selector" value="advanced"/> | |
5847 <param name="force" value="false"/> | |
5848 <param name="test" value="true"/> | |
5849 </conditional> | |
5850 <param name="in" value="FileFilter_5_input.featureXML"/> | |
5851 <output name="out" file="FileFilter_6_out.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
5852 <param name="out_type" value="featureXML"/> | |
5853 <param name="rt" value="1000:"/> | |
5854 <param name="mz" value="440:"/> | |
5855 <param name="int" value="70000:"/> | |
5856 <param name="sort" value="false"/> | |
5857 <section name="peak_options"> | |
5858 <param name="sn" value="0.0"/> | |
5859 <param name="rm_pc_charge" value=""/> | |
5860 <param name="pc_mz_range" value=":"/> | |
5861 <param name="pc_mz_list" value=""/> | |
5862 <param name="level" value="1 2 3"/> | |
5863 <param name="sort_peaks" value="false"/> | |
5864 <param name="no_chromatograms" value="false"/> | |
5865 <param name="remove_chromatograms" value="false"/> | |
5866 <param name="remove_empty" value="false"/> | |
5867 <param name="mz_precision" value="64"/> | |
5868 <param name="int_precision" value="32"/> | |
5869 <param name="indexed_file" value="true"/> | |
5870 <param name="zlib_compression" value="false"/> | |
5871 <section name="numpress"> | |
5872 <param name="masstime" value="none"/> | |
5873 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5874 <param name="intensity" value="none"/> | |
5875 <param name="float_da" value="none"/> | |
5876 </section> | |
5877 </section> | |
5878 <section name="spectra"> | |
5879 <param name="remove_zoom" value="false"/> | |
5880 <param name="remove_mode" value=""/> | |
5881 <param name="remove_activation" value=""/> | |
5882 <param name="remove_collision_energy" value=":"/> | |
5883 <param name="remove_isolation_window_width" value=":"/> | |
5884 <param name="select_zoom" value="false"/> | |
5885 <param name="select_mode" value=""/> | |
5886 <param name="select_activation" value=""/> | |
5887 <param name="select_collision_energy" value=":"/> | |
5888 <param name="select_isolation_window_width" value=":"/> | |
5889 <param name="select_polarity" value=""/> | |
5890 <section name="blackorwhitelist"> | |
5891 <param name="similarity_threshold" value="-1.0"/> | |
5892 <param name="rt" value="0.01"/> | |
5893 <param name="mz" value="0.01"/> | |
5894 <param name="use_ppm_tolerance" value="false"/> | |
5895 <param name="blacklist" value="true"/> | |
5896 </section> | |
5897 </section> | |
5898 <section name="feature"> | |
5899 <param name="q" value="0.51:"/> | |
5900 </section> | |
5901 <section name="consensus"> | |
5902 <param name="map" value=""/> | |
5903 <param name="map_and" value="false"/> | |
5904 <section name="blackorwhitelist"> | |
5905 <param name="blacklist" value="true"/> | |
5906 <param name="maps" value=""/> | |
5907 <param name="rt" value="60.0"/> | |
5908 <param name="mz" value="0.01"/> | |
5909 <param name="use_ppm_tolerance" value="false"/> | |
5910 </section> | |
5911 </section> | |
5912 <section name="f_and_c"> | |
5913 <param name="charge" value="3:"/> | |
5914 <param name="size" value=":"/> | |
5915 <param name="remove_meta" value=""/> | |
5916 </section> | |
5917 <section name="id"> | |
5918 <param name="remove_clashes" value="false"/> | |
5919 <param name="keep_best_score_id" value="false"/> | |
5920 <param name="sequences_whitelist" value=""/> | |
5921 <param name="sequence_comparison_method" value="substring"/> | |
5922 <param name="accessions_whitelist" value=""/> | |
5923 <param name="remove_annotated_features" value="false"/> | |
5924 <param name="remove_unannotated_features" value="false"/> | |
5925 <param name="remove_unassigned_ids" value="false"/> | |
5926 <param name="rt" value="0.1"/> | |
5927 <param name="mz" value="0.001"/> | |
5928 <param name="blacklist_imperfect" value="false"/> | |
5929 </section> | |
5930 <section name="algorithm"> | |
5931 <section name="SignalToNoise"> | |
5932 <param name="max_intensity" value="-1"/> | |
5933 <param name="auto_max_stdev_factor" value="3.0"/> | |
5934 <param name="auto_max_percentile" value="95"/> | |
5935 <param name="auto_mode" value="0"/> | |
5936 <param name="win_len" value="200.0"/> | |
5937 <param name="bin_count" value="30"/> | |
5938 <param name="min_required_elements" value="10"/> | |
5939 <param name="noise_for_empty_window" value="1e+20"/> | |
5940 <param name="write_log_messages" value="true"/> | |
5941 </section> | |
5942 </section> | |
5943 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5944 <output name="ctd_out" ftype="xml"> | |
5945 <assert_contents> | |
5946 <is_valid_xml/> | |
5947 </assert_contents> | |
5948 </output> | |
5949 </test> | |
5950 <test expect_num_outputs="2"> | |
5951 <conditional name="adv_opts_cond"> | |
5952 <param name="adv_opts_selector" value="advanced"/> | |
5953 <param name="force" value="false"/> | |
5954 <param name="test" value="true"/> | |
5955 </conditional> | |
5956 <param name="in" value="FileFilter_7_input.mzML"/> | |
5957 <output name="out" file="FileFilter_7_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5958 <param name="out_type" value="mzML"/> | |
5959 <param name="rt" value=":"/> | |
5960 <param name="mz" value=":"/> | |
5961 <param name="int" value="7000:"/> | |
5962 <param name="sort" value="false"/> | |
5963 <section name="peak_options"> | |
5964 <param name="sn" value="0.0"/> | |
5965 <param name="rm_pc_charge" value=""/> | |
5966 <param name="pc_mz_range" value=":"/> | |
5967 <param name="pc_mz_list" value=""/> | |
5968 <param name="level" value="1 2 3"/> | |
5969 <param name="sort_peaks" value="false"/> | |
5970 <param name="no_chromatograms" value="false"/> | |
5971 <param name="remove_chromatograms" value="false"/> | |
5972 <param name="remove_empty" value="false"/> | |
5973 <param name="mz_precision" value="64"/> | |
5974 <param name="int_precision" value="32"/> | |
5975 <param name="indexed_file" value="true"/> | |
5976 <param name="zlib_compression" value="false"/> | |
5977 <section name="numpress"> | |
5978 <param name="masstime" value="none"/> | |
5979 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5980 <param name="intensity" value="none"/> | |
5981 <param name="float_da" value="none"/> | |
5982 </section> | |
5983 </section> | |
5984 <section name="spectra"> | |
5985 <param name="remove_zoom" value="false"/> | |
5986 <param name="remove_mode" value=""/> | |
5987 <param name="remove_activation" value=""/> | |
5988 <param name="remove_collision_energy" value=":"/> | |
5989 <param name="remove_isolation_window_width" value=":"/> | |
5990 <param name="select_zoom" value="false"/> | |
5991 <param name="select_mode" value=""/> | |
5992 <param name="select_activation" value=""/> | |
5993 <param name="select_collision_energy" value=":"/> | |
5994 <param name="select_isolation_window_width" value=":"/> | |
5995 <param name="select_polarity" value=""/> | |
5996 <section name="blackorwhitelist"> | |
5997 <param name="similarity_threshold" value="-1.0"/> | |
5998 <param name="rt" value="0.01"/> | |
5999 <param name="mz" value="0.01"/> | |
6000 <param name="use_ppm_tolerance" value="false"/> | |
6001 <param name="blacklist" value="true"/> | |
6002 </section> | |
6003 </section> | |
6004 <section name="feature"> | |
6005 <param name="q" value=":"/> | |
6006 </section> | |
6007 <section name="consensus"> | |
6008 <param name="map" value=""/> | |
6009 <param name="map_and" value="false"/> | |
6010 <section name="blackorwhitelist"> | |
6011 <param name="blacklist" value="true"/> | |
6012 <param name="maps" value=""/> | |
6013 <param name="rt" value="60.0"/> | |
6014 <param name="mz" value="0.01"/> | |
6015 <param name="use_ppm_tolerance" value="false"/> | |
6016 </section> | |
6017 </section> | |
6018 <section name="f_and_c"> | |
6019 <param name="charge" value=":"/> | |
6020 <param name="size" value=":"/> | |
6021 <param name="remove_meta" value=""/> | |
6022 </section> | |
6023 <section name="id"> | |
6024 <param name="remove_clashes" value="false"/> | |
6025 <param name="keep_best_score_id" value="false"/> | |
6026 <param name="sequences_whitelist" value=""/> | |
6027 <param name="sequence_comparison_method" value="substring"/> | |
6028 <param name="accessions_whitelist" value=""/> | |
6029 <param name="remove_annotated_features" value="false"/> | |
6030 <param name="remove_unannotated_features" value="false"/> | |
6031 <param name="remove_unassigned_ids" value="false"/> | |
6032 <param name="rt" value="0.1"/> | |
6033 <param name="mz" value="0.001"/> | |
6034 <param name="blacklist_imperfect" value="false"/> | |
6035 </section> | |
6036 <section name="algorithm"> | |
6037 <section name="SignalToNoise"> | |
6038 <param name="max_intensity" value="-1"/> | |
6039 <param name="auto_max_stdev_factor" value="3.0"/> | |
6040 <param name="auto_max_percentile" value="95"/> | |
6041 <param name="auto_mode" value="0"/> | |
6042 <param name="win_len" value="200.0"/> | |
6043 <param name="bin_count" value="30"/> | |
6044 <param name="min_required_elements" value="10"/> | |
6045 <param name="noise_for_empty_window" value="1e+20"/> | |
6046 <param name="write_log_messages" value="true"/> | |
6047 </section> | |
6048 </section> | |
6049 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6050 <output name="ctd_out" ftype="xml"> | |
6051 <assert_contents> | |
6052 <is_valid_xml/> | |
6053 </assert_contents> | |
6054 </output> | |
6055 </test> | |
6056 <test expect_num_outputs="2"> | |
6057 <conditional name="adv_opts_cond"> | |
6058 <param name="adv_opts_selector" value="advanced"/> | |
6059 <param name="force" value="false"/> | |
6060 <param name="test" value="true"/> | |
6061 </conditional> | |
6062 <param name="in" value="FileFilter_8_input.consensusXML"/> | |
6063 <output name="out" file="FileFilter_8_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
6064 <param name="out_type" value="consensusXML"/> | |
6065 <param name="rt" value="600:1400"/> | |
6066 <param name="mz" value="700:2300"/> | |
6067 <param name="int" value="1100:6000"/> | |
6068 <param name="sort" value="false"/> | |
6069 <section name="peak_options"> | |
6070 <param name="sn" value="0.0"/> | |
6071 <param name="rm_pc_charge" value=""/> | |
6072 <param name="pc_mz_range" value=":"/> | |
6073 <param name="pc_mz_list" value=""/> | |
6074 <param name="level" value="1 2 3"/> | |
6075 <param name="sort_peaks" value="false"/> | |
6076 <param name="no_chromatograms" value="false"/> | |
6077 <param name="remove_chromatograms" value="false"/> | |
6078 <param name="remove_empty" value="false"/> | |
6079 <param name="mz_precision" value="64"/> | |
6080 <param name="int_precision" value="32"/> | |
6081 <param name="indexed_file" value="true"/> | |
6082 <param name="zlib_compression" value="false"/> | |
6083 <section name="numpress"> | |
6084 <param name="masstime" value="none"/> | |
6085 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6086 <param name="intensity" value="none"/> | |
6087 <param name="float_da" value="none"/> | |
6088 </section> | |
6089 </section> | |
6090 <section name="spectra"> | |
6091 <param name="remove_zoom" value="false"/> | |
6092 <param name="remove_mode" value=""/> | |
6093 <param name="remove_activation" value=""/> | |
6094 <param name="remove_collision_energy" value=":"/> | |
6095 <param name="remove_isolation_window_width" value=":"/> | |
6096 <param name="select_zoom" value="false"/> | |
6097 <param name="select_mode" value=""/> | |
6098 <param name="select_activation" value=""/> | |
6099 <param name="select_collision_energy" value=":"/> | |
6100 <param name="select_isolation_window_width" value=":"/> | |
6101 <param name="select_polarity" value=""/> | |
6102 <section name="blackorwhitelist"> | |
6103 <param name="similarity_threshold" value="-1.0"/> | |
6104 <param name="rt" value="0.01"/> | |
6105 <param name="mz" value="0.01"/> | |
6106 <param name="use_ppm_tolerance" value="false"/> | |
6107 <param name="blacklist" value="true"/> | |
6108 </section> | |
6109 </section> | |
6110 <section name="feature"> | |
6111 <param name="q" value=":"/> | |
6112 </section> | |
6113 <section name="consensus"> | |
6114 <param name="map" value=""/> | |
6115 <param name="map_and" value="false"/> | |
6116 <section name="blackorwhitelist"> | |
6117 <param name="blacklist" value="true"/> | |
6118 <param name="maps" value=""/> | |
6119 <param name="rt" value="60.0"/> | |
6120 <param name="mz" value="0.01"/> | |
6121 <param name="use_ppm_tolerance" value="false"/> | |
6122 </section> | |
6123 </section> | |
6124 <section name="f_and_c"> | |
6125 <param name="charge" value=":"/> | |
6126 <param name="size" value=":"/> | |
6127 <param name="remove_meta" value=""/> | |
6128 </section> | |
6129 <section name="id"> | |
6130 <param name="remove_clashes" value="false"/> | |
6131 <param name="keep_best_score_id" value="false"/> | |
6132 <param name="sequences_whitelist" value=""/> | |
6133 <param name="sequence_comparison_method" value="substring"/> | |
6134 <param name="accessions_whitelist" value=""/> | |
6135 <param name="remove_annotated_features" value="false"/> | |
6136 <param name="remove_unannotated_features" value="false"/> | |
6137 <param name="remove_unassigned_ids" value="false"/> | |
6138 <param name="rt" value="0.1"/> | |
6139 <param name="mz" value="0.001"/> | |
6140 <param name="blacklist_imperfect" value="false"/> | |
6141 </section> | |
6142 <section name="algorithm"> | |
6143 <section name="SignalToNoise"> | |
6144 <param name="max_intensity" value="-1"/> | |
6145 <param name="auto_max_stdev_factor" value="3.0"/> | |
6146 <param name="auto_max_percentile" value="95"/> | |
6147 <param name="auto_mode" value="0"/> | |
6148 <param name="win_len" value="200.0"/> | |
6149 <param name="bin_count" value="30"/> | |
6150 <param name="min_required_elements" value="10"/> | |
6151 <param name="noise_for_empty_window" value="1e+20"/> | |
6152 <param name="write_log_messages" value="true"/> | |
6153 </section> | |
6154 </section> | |
6155 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6156 <output name="ctd_out" ftype="xml"> | |
6157 <assert_contents> | |
6158 <is_valid_xml/> | |
6159 </assert_contents> | |
6160 </output> | |
6161 </test> | |
6162 <test expect_num_outputs="2"> | |
6163 <conditional name="adv_opts_cond"> | |
6164 <param name="adv_opts_selector" value="advanced"/> | |
6165 <param name="force" value="false"/> | |
6166 <param name="test" value="true"/> | |
6167 </conditional> | |
6168 <param name="in" value="FileFilter_9_input.mzML"/> | |
6169 <output name="out" file="FileFilter_9_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
6170 <param name="out_type" value="mzML"/> | |
6171 <param name="rt" value=":"/> | |
6172 <param name="mz" value=":"/> | |
6173 <param name="int" value=":"/> | |
6174 <param name="sort" value="false"/> | |
6175 <section name="peak_options"> | |
6176 <param name="sn" value="0.0"/> | |
6177 <param name="rm_pc_charge" value=""/> | |
6178 <param name="pc_mz_range" value=":"/> | |
6179 <param name="pc_mz_list" value=""/> | |
6180 <param name="level" value="1 2 3"/> | |
6181 <param name="sort_peaks" value="false"/> | |
6182 <param name="no_chromatograms" value="false"/> | |
6183 <param name="remove_chromatograms" value="false"/> | |
6184 <param name="remove_empty" value="false"/> | |
6185 <param name="mz_precision" value="64"/> | |
6186 <param name="int_precision" value="32"/> | |
6187 <param name="indexed_file" value="true"/> | |
6188 <param name="zlib_compression" value="false"/> | |
6189 <section name="numpress"> | |
6190 <param name="masstime" value="none"/> | |
6191 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6192 <param name="intensity" value="none"/> | |
6193 <param name="float_da" value="none"/> | |
6194 </section> | |
6195 </section> | |
6196 <section name="spectra"> | |
6197 <param name="remove_zoom" value="false"/> | |
6198 <param name="remove_mode" value="SelectedIonMonitoring"/> | |
6199 <param name="remove_activation" value=""/> | |
6200 <param name="remove_collision_energy" value=":"/> | |
6201 <param name="remove_isolation_window_width" value=":"/> | |
6202 <param name="select_zoom" value="false"/> | |
6203 <param name="select_mode" value=""/> | |
6204 <param name="select_activation" value=""/> | |
6205 <param name="select_collision_energy" value=":"/> | |
6206 <param name="select_isolation_window_width" value=":"/> | |
6207 <param name="select_polarity" value=""/> | |
6208 <section name="blackorwhitelist"> | |
6209 <param name="similarity_threshold" value="-1.0"/> | |
6210 <param name="rt" value="0.01"/> | |
6211 <param name="mz" value="0.01"/> | |
6212 <param name="use_ppm_tolerance" value="false"/> | |
6213 <param name="blacklist" value="true"/> | |
6214 </section> | |
6215 </section> | |
6216 <section name="feature"> | |
6217 <param name="q" value=":"/> | |
6218 </section> | |
6219 <section name="consensus"> | |
6220 <param name="map" value=""/> | |
6221 <param name="map_and" value="false"/> | |
6222 <section name="blackorwhitelist"> | |
6223 <param name="blacklist" value="true"/> | |
6224 <param name="maps" value=""/> | |
6225 <param name="rt" value="60.0"/> | |
6226 <param name="mz" value="0.01"/> | |
6227 <param name="use_ppm_tolerance" value="false"/> | |
6228 </section> | |
6229 </section> | |
6230 <section name="f_and_c"> | |
6231 <param name="charge" value=":"/> | |
6232 <param name="size" value=":"/> | |
6233 <param name="remove_meta" value=""/> | |
6234 </section> | |
6235 <section name="id"> | |
6236 <param name="remove_clashes" value="false"/> | |
6237 <param name="keep_best_score_id" value="false"/> | |
6238 <param name="sequences_whitelist" value=""/> | |
6239 <param name="sequence_comparison_method" value="substring"/> | |
6240 <param name="accessions_whitelist" value=""/> | |
6241 <param name="remove_annotated_features" value="false"/> | |
6242 <param name="remove_unannotated_features" value="false"/> | |
6243 <param name="remove_unassigned_ids" value="false"/> | |
6244 <param name="rt" value="0.1"/> | |
6245 <param name="mz" value="0.001"/> | |
6246 <param name="blacklist_imperfect" value="false"/> | |
6247 </section> | |
6248 <section name="algorithm"> | |
6249 <section name="SignalToNoise"> | |
6250 <param name="max_intensity" value="-1"/> | |
6251 <param name="auto_max_stdev_factor" value="3.0"/> | |
6252 <param name="auto_max_percentile" value="95"/> | |
6253 <param name="auto_mode" value="0"/> | |
6254 <param name="win_len" value="200.0"/> | |
6255 <param name="bin_count" value="30"/> | |
6256 <param name="min_required_elements" value="10"/> | |
6257 <param name="noise_for_empty_window" value="1e+20"/> | |
6258 <param name="write_log_messages" value="true"/> | |
6259 </section> | |
6260 </section> | |
6261 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6262 <output name="ctd_out" ftype="xml"> | |
6263 <assert_contents> | |
6264 <is_valid_xml/> | |
6265 </assert_contents> | |
6266 </output> | |
6267 </test> | |
6268 <test expect_num_outputs="2"> | |
6269 <conditional name="adv_opts_cond"> | |
6270 <param name="adv_opts_selector" value="advanced"/> | |
6271 <param name="force" value="false"/> | |
6272 <param name="test" value="true"/> | |
6273 </conditional> | |
6274 <param name="in" value="FileFilter_10_input.mzML"/> | |
6275 <output name="out" file="FileFilter_10_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
6276 <param name="out_type" value="mzML"/> | |
6277 <param name="rt" value=":"/> | |
6278 <param name="mz" value=":"/> | |
6279 <param name="int" value=":"/> | |
6280 <param name="sort" value="false"/> | |
6281 <section name="peak_options"> | |
6282 <param name="sn" value="0.0"/> | |
6283 <param name="rm_pc_charge" value=""/> | |
6284 <param name="pc_mz_range" value=":"/> | |
6285 <param name="pc_mz_list" value=""/> | |
6286 <param name="level" value="1 2 3"/> | |
6287 <param name="sort_peaks" value="false"/> | |
6288 <param name="no_chromatograms" value="false"/> | |
6289 <param name="remove_chromatograms" value="false"/> | |
6290 <param name="remove_empty" value="false"/> | |
6291 <param name="mz_precision" value="64"/> | |
6292 <param name="int_precision" value="32"/> | |
6293 <param name="indexed_file" value="true"/> | |
6294 <param name="zlib_compression" value="false"/> | |
6295 <section name="numpress"> | |
6296 <param name="masstime" value="none"/> | |
6297 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6298 <param name="intensity" value="none"/> | |
6299 <param name="float_da" value="none"/> | |
6300 </section> | |
6301 </section> | |
6302 <section name="spectra"> | |
6303 <param name="remove_zoom" value="false"/> | |
6304 <param name="remove_mode" value=""/> | |
6305 <param name="remove_activation" value="Collision-induced dissociation"/> | |
6306 <param name="remove_collision_energy" value=":"/> | |
6307 <param name="remove_isolation_window_width" value=":"/> | |
6308 <param name="select_zoom" value="false"/> | |
6309 <param name="select_mode" value=""/> | |
6310 <param name="select_activation" value=""/> | |
6311 <param name="select_collision_energy" value=":"/> | |
6312 <param name="select_isolation_window_width" value=":"/> | |
6313 <param name="select_polarity" value=""/> | |
6314 <section name="blackorwhitelist"> | |
6315 <param name="similarity_threshold" value="-1.0"/> | |
6316 <param name="rt" value="0.01"/> | |
6317 <param name="mz" value="0.01"/> | |
6318 <param name="use_ppm_tolerance" value="false"/> | |
6319 <param name="blacklist" value="true"/> | |
6320 </section> | |
6321 </section> | |
6322 <section name="feature"> | |
6323 <param name="q" value=":"/> | |
6324 </section> | |
6325 <section name="consensus"> | |
6326 <param name="map" value=""/> | |
6327 <param name="map_and" value="false"/> | |
6328 <section name="blackorwhitelist"> | |
6329 <param name="blacklist" value="true"/> | |
6330 <param name="maps" value=""/> | |
6331 <param name="rt" value="60.0"/> | |
6332 <param name="mz" value="0.01"/> | |
6333 <param name="use_ppm_tolerance" value="false"/> | |
6334 </section> | |
6335 </section> | |
6336 <section name="f_and_c"> | |
6337 <param name="charge" value=":"/> | |
6338 <param name="size" value=":"/> | |
6339 <param name="remove_meta" value=""/> | |
6340 </section> | |
6341 <section name="id"> | |
6342 <param name="remove_clashes" value="false"/> | |
6343 <param name="keep_best_score_id" value="false"/> | |
6344 <param name="sequences_whitelist" value=""/> | |
6345 <param name="sequence_comparison_method" value="substring"/> | |
6346 <param name="accessions_whitelist" value=""/> | |
6347 <param name="remove_annotated_features" value="false"/> | |
6348 <param name="remove_unannotated_features" value="false"/> | |
6349 <param name="remove_unassigned_ids" value="false"/> | |
6350 <param name="rt" value="0.1"/> | |
6351 <param name="mz" value="0.001"/> | |
6352 <param name="blacklist_imperfect" value="false"/> | |
6353 </section> | |
6354 <section name="algorithm"> | |
6355 <section name="SignalToNoise"> | |
6356 <param name="max_intensity" value="-1"/> | |
6357 <param name="auto_max_stdev_factor" value="3.0"/> | |
6358 <param name="auto_max_percentile" value="95"/> | |
6359 <param name="auto_mode" value="0"/> | |
6360 <param name="win_len" value="200.0"/> | |
6361 <param name="bin_count" value="30"/> | |
6362 <param name="min_required_elements" value="10"/> | |
6363 <param name="noise_for_empty_window" value="1e+20"/> | |
6364 <param name="write_log_messages" value="true"/> | |
6365 </section> | |
6366 </section> | |
6367 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6368 <output name="ctd_out" ftype="xml"> | |
6369 <assert_contents> | |
6370 <is_valid_xml/> | |
6371 </assert_contents> | |
6372 </output> | |
6373 </test> | |
6374 <test expect_num_outputs="2"> | |
6375 <conditional name="adv_opts_cond"> | |
6376 <param name="adv_opts_selector" value="advanced"/> | |
6377 <param name="force" value="false"/> | |
6378 <param name="test" value="true"/> | |
6379 </conditional> | |
6380 <param name="in" value="FileFilter_11_input.mzML"/> | |
6381 <output name="out" file="FileFilter_11_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
6382 <param name="out_type" value="mzML"/> | |
6383 <param name="rt" value=":"/> | |
6384 <param name="mz" value=":"/> | |
6385 <param name="int" value=":"/> | |
6386 <param name="sort" value="false"/> | |
6387 <section name="peak_options"> | |
6388 <param name="sn" value="0.0"/> | |
6389 <param name="rm_pc_charge" value=""/> | |
6390 <param name="pc_mz_range" value=":"/> | |
6391 <param name="pc_mz_list" value=""/> | |
6392 <param name="level" value="1 2 3"/> | |
6393 <param name="sort_peaks" value="false"/> | |
6394 <param name="no_chromatograms" value="false"/> | |
6395 <param name="remove_chromatograms" value="false"/> | |
6396 <param name="remove_empty" value="false"/> | |
6397 <param name="mz_precision" value="64"/> | |
6398 <param name="int_precision" value="32"/> | |
6399 <param name="indexed_file" value="true"/> | |
6400 <param name="zlib_compression" value="false"/> | |
6401 <section name="numpress"> | |
6402 <param name="masstime" value="none"/> | |
6403 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6404 <param name="intensity" value="none"/> | |
6405 <param name="float_da" value="none"/> | |
6406 </section> | |
6407 </section> | |
6408 <section name="spectra"> | |
6409 <param name="remove_zoom" value="false"/> | |
6410 <param name="remove_mode" value=""/> | |
6411 <param name="remove_activation" value="Plasma desorption"/> | |
6412 <param name="remove_collision_energy" value=":"/> | |
6413 <param name="remove_isolation_window_width" value=":"/> | |
6414 <param name="select_zoom" value="false"/> | |
6415 <param name="select_mode" value=""/> | |
6416 <param name="select_activation" value=""/> | |
6417 <param name="select_collision_energy" value=":"/> | |
6418 <param name="select_isolation_window_width" value=":"/> | |
6419 <param name="select_polarity" value=""/> | |
6420 <section name="blackorwhitelist"> | |
6421 <param name="similarity_threshold" value="-1.0"/> | |
6422 <param name="rt" value="0.01"/> | |
6423 <param name="mz" value="0.01"/> | |
6424 <param name="use_ppm_tolerance" value="false"/> | |
6425 <param name="blacklist" value="true"/> | |
6426 </section> | |
6427 </section> | |
6428 <section name="feature"> | |
6429 <param name="q" value=":"/> | |
6430 </section> | |
6431 <section name="consensus"> | |
6432 <param name="map" value=""/> | |
6433 <param name="map_and" value="false"/> | |
6434 <section name="blackorwhitelist"> | |
6435 <param name="blacklist" value="true"/> | |
6436 <param name="maps" value=""/> | |
6437 <param name="rt" value="60.0"/> | |
6438 <param name="mz" value="0.01"/> | |
6439 <param name="use_ppm_tolerance" value="false"/> | |
6440 </section> | |
6441 </section> | |
6442 <section name="f_and_c"> | |
6443 <param name="charge" value=":"/> | |
6444 <param name="size" value=":"/> | |
6445 <param name="remove_meta" value=""/> | |
6446 </section> | |
6447 <section name="id"> | |
6448 <param name="remove_clashes" value="false"/> | |
6449 <param name="keep_best_score_id" value="false"/> | |
6450 <param name="sequences_whitelist" value=""/> | |
6451 <param name="sequence_comparison_method" value="substring"/> | |
6452 <param name="accessions_whitelist" value=""/> | |
6453 <param name="remove_annotated_features" value="false"/> | |
6454 <param name="remove_unannotated_features" value="false"/> | |
6455 <param name="remove_unassigned_ids" value="false"/> | |
6456 <param name="rt" value="0.1"/> | |
6457 <param name="mz" value="0.001"/> | |
6458 <param name="blacklist_imperfect" value="false"/> | |
6459 </section> | |
6460 <section name="algorithm"> | |
6461 <section name="SignalToNoise"> | |
6462 <param name="max_intensity" value="-1"/> | |
6463 <param name="auto_max_stdev_factor" value="3.0"/> | |
6464 <param name="auto_max_percentile" value="95"/> | |
6465 <param name="auto_mode" value="0"/> | |
6466 <param name="win_len" value="200.0"/> | |
6467 <param name="bin_count" value="30"/> | |
6468 <param name="min_required_elements" value="10"/> | |
6469 <param name="noise_for_empty_window" value="1e+20"/> | |
6470 <param name="write_log_messages" value="true"/> | |
6471 </section> | |
6472 </section> | |
6473 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6474 <output name="ctd_out" ftype="xml"> | |
6475 <assert_contents> | |
6476 <is_valid_xml/> | |
6477 </assert_contents> | |
6478 </output> | |
6479 </test> | |
6480 <test expect_num_outputs="2"> | |
6481 <conditional name="adv_opts_cond"> | |
6482 <param name="adv_opts_selector" value="advanced"/> | |
6483 <param name="force" value="false"/> | |
6484 <param name="test" value="true"/> | |
6485 </conditional> | |
6486 <param name="in" value="FileFilter_12_input.mzML"/> | |
6487 <output name="out" file="FileFilter_12_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
6488 <param name="out_type" value="mzML"/> | |
6489 <param name="rt" value=":"/> | |
6490 <param name="mz" value=":"/> | |
6491 <param name="int" value=":"/> | |
6492 <param name="sort" value="false"/> | |
6493 <section name="peak_options"> | |
6494 <param name="sn" value="0.0"/> | |
6495 <param name="rm_pc_charge" value=""/> | |
6496 <param name="pc_mz_range" value=":"/> | |
6497 <param name="pc_mz_list" value=""/> | |
6498 <param name="level" value="1 2 3"/> | |
6499 <param name="sort_peaks" value="false"/> | |
6500 <param name="no_chromatograms" value="false"/> | |
6501 <param name="remove_chromatograms" value="true"/> | |
6502 <param name="remove_empty" value="false"/> | |
6503 <param name="mz_precision" value="64"/> | |
6504 <param name="int_precision" value="32"/> | |
6505 <param name="indexed_file" value="true"/> | |
6506 <param name="zlib_compression" value="false"/> | |
6507 <section name="numpress"> | |
6508 <param name="masstime" value="none"/> | |
6509 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6510 <param name="intensity" value="none"/> | |
6511 <param name="float_da" value="none"/> | |
6512 </section> | |
6513 </section> | |
6514 <section name="spectra"> | |
6515 <param name="remove_zoom" value="false"/> | |
6516 <param name="remove_mode" value=""/> | |
6517 <param name="remove_activation" value=""/> | |
6518 <param name="remove_collision_energy" value=":"/> | |
6519 <param name="remove_isolation_window_width" value=":"/> | |
6520 <param name="select_zoom" value="false"/> | |
6521 <param name="select_mode" value=""/> | |
6522 <param name="select_activation" value=""/> | |
6523 <param name="select_collision_energy" value=":"/> | |
6524 <param name="select_isolation_window_width" value=":"/> | |
6525 <param name="select_polarity" value=""/> | |
6526 <section name="blackorwhitelist"> | |
6527 <param name="similarity_threshold" value="-1.0"/> | |
6528 <param name="rt" value="0.01"/> | |
6529 <param name="mz" value="0.01"/> | |
6530 <param name="use_ppm_tolerance" value="false"/> | |
6531 <param name="blacklist" value="true"/> | |
6532 </section> | |
6533 </section> | |
6534 <section name="feature"> | |
6535 <param name="q" value=":"/> | |
6536 </section> | |
6537 <section name="consensus"> | |
6538 <param name="map" value=""/> | |
6539 <param name="map_and" value="false"/> | |
6540 <section name="blackorwhitelist"> | |
6541 <param name="blacklist" value="true"/> | |
6542 <param name="maps" value=""/> | |
6543 <param name="rt" value="60.0"/> | |
6544 <param name="mz" value="0.01"/> | |
6545 <param name="use_ppm_tolerance" value="false"/> | |
6546 </section> | |
6547 </section> | |
6548 <section name="f_and_c"> | |
6549 <param name="charge" value=":"/> | |
6550 <param name="size" value=":"/> | |
6551 <param name="remove_meta" value=""/> | |
6552 </section> | |
6553 <section name="id"> | |
6554 <param name="remove_clashes" value="false"/> | |
6555 <param name="keep_best_score_id" value="false"/> | |
6556 <param name="sequences_whitelist" value=""/> | |
6557 <param name="sequence_comparison_method" value="substring"/> | |
6558 <param name="accessions_whitelist" value=""/> | |
6559 <param name="remove_annotated_features" value="false"/> | |
6560 <param name="remove_unannotated_features" value="false"/> | |
6561 <param name="remove_unassigned_ids" value="false"/> | |
6562 <param name="rt" value="0.1"/> | |
6563 <param name="mz" value="0.001"/> | |
6564 <param name="blacklist_imperfect" value="false"/> | |
6565 </section> | |
6566 <section name="algorithm"> | |
6567 <section name="SignalToNoise"> | |
6568 <param name="max_intensity" value="-1"/> | |
6569 <param name="auto_max_stdev_factor" value="3.0"/> | |
6570 <param name="auto_max_percentile" value="95"/> | |
6571 <param name="auto_mode" value="0"/> | |
6572 <param name="win_len" value="200.0"/> | |
6573 <param name="bin_count" value="30"/> | |
6574 <param name="min_required_elements" value="10"/> | |
6575 <param name="noise_for_empty_window" value="1e+20"/> | |
6576 <param name="write_log_messages" value="true"/> | |
6577 </section> | |
6578 </section> | |
6579 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6580 <output name="ctd_out" ftype="xml"> | |
6581 <assert_contents> | |
6582 <is_valid_xml/> | |
6583 </assert_contents> | |
6584 </output> | |
6585 </test> | |
6586 <test expect_num_outputs="2"> | |
6587 <conditional name="adv_opts_cond"> | |
6588 <param name="adv_opts_selector" value="advanced"/> | |
6589 <param name="force" value="false"/> | |
6590 <param name="test" value="true"/> | |
6591 </conditional> | |
6592 <param name="in" value="FileFilter_13_input.consensusXML"/> | |
6593 <output name="out" file="FileFilter_13_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
6594 <param name="out_type" value="featureXML"/> | |
6595 <param name="rt" value=":"/> | |
6596 <param name="mz" value=":"/> | |
6597 <param name="int" value=":"/> | |
6598 <param name="sort" value="false"/> | |
6599 <section name="peak_options"> | |
6600 <param name="sn" value="0.0"/> | |
6601 <param name="rm_pc_charge" value=""/> | |
6602 <param name="pc_mz_range" value=":"/> | |
6603 <param name="pc_mz_list" value=""/> | |
6604 <param name="level" value="1 2 3"/> | |
6605 <param name="sort_peaks" value="false"/> | |
6606 <param name="no_chromatograms" value="false"/> | |
6607 <param name="remove_chromatograms" value="false"/> | |
6608 <param name="remove_empty" value="false"/> | |
6609 <param name="mz_precision" value="64"/> | |
6610 <param name="int_precision" value="32"/> | |
6611 <param name="indexed_file" value="true"/> | |
6612 <param name="zlib_compression" value="false"/> | |
6613 <section name="numpress"> | |
6614 <param name="masstime" value="none"/> | |
6615 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6616 <param name="intensity" value="none"/> | |
6617 <param name="float_da" value="none"/> | |
6618 </section> | |
6619 </section> | |
6620 <section name="spectra"> | |
6621 <param name="remove_zoom" value="false"/> | |
6622 <param name="remove_mode" value=""/> | |
6623 <param name="remove_activation" value=""/> | |
6624 <param name="remove_collision_energy" value=":"/> | |
6625 <param name="remove_isolation_window_width" value=":"/> | |
6626 <param name="select_zoom" value="false"/> | |
6627 <param name="select_mode" value=""/> | |
6628 <param name="select_activation" value=""/> | |
6629 <param name="select_collision_energy" value=":"/> | |
6630 <param name="select_isolation_window_width" value=":"/> | |
6631 <param name="select_polarity" value=""/> | |
6632 <section name="blackorwhitelist"> | |
6633 <param name="similarity_threshold" value="-1.0"/> | |
6634 <param name="rt" value="0.01"/> | |
6635 <param name="mz" value="0.01"/> | |
6636 <param name="use_ppm_tolerance" value="false"/> | |
6637 <param name="blacklist" value="true"/> | |
6638 </section> | |
6639 </section> | |
6640 <section name="feature"> | |
6641 <param name="q" value=":"/> | |
6642 </section> | |
6643 <section name="consensus"> | |
6644 <param name="map" value="2"/> | |
6645 <param name="map_and" value="false"/> | |
6646 <section name="blackorwhitelist"> | |
6647 <param name="blacklist" value="true"/> | |
6648 <param name="maps" value=""/> | |
6649 <param name="rt" value="60.0"/> | |
6650 <param name="mz" value="0.01"/> | |
6651 <param name="use_ppm_tolerance" value="false"/> | |
6652 </section> | |
6653 </section> | |
6654 <section name="f_and_c"> | |
6655 <param name="charge" value=":"/> | |
6656 <param name="size" value=":"/> | |
6657 <param name="remove_meta" value=""/> | |
6658 </section> | |
6659 <section name="id"> | |
6660 <param name="remove_clashes" value="false"/> | |
6661 <param name="keep_best_score_id" value="false"/> | |
6662 <param name="sequences_whitelist" value=""/> | |
6663 <param name="sequence_comparison_method" value="substring"/> | |
6664 <param name="accessions_whitelist" value=""/> | |
6665 <param name="remove_annotated_features" value="false"/> | |
6666 <param name="remove_unannotated_features" value="false"/> | |
6667 <param name="remove_unassigned_ids" value="false"/> | |
6668 <param name="rt" value="0.1"/> | |
6669 <param name="mz" value="0.001"/> | |
6670 <param name="blacklist_imperfect" value="false"/> | |
6671 </section> | |
6672 <section name="algorithm"> | |
6673 <section name="SignalToNoise"> | |
6674 <param name="max_intensity" value="-1"/> | |
6675 <param name="auto_max_stdev_factor" value="3.0"/> | |
6676 <param name="auto_max_percentile" value="95"/> | |
6677 <param name="auto_mode" value="0"/> | |
6678 <param name="win_len" value="200.0"/> | |
6679 <param name="bin_count" value="30"/> | |
6680 <param name="min_required_elements" value="10"/> | |
6681 <param name="noise_for_empty_window" value="1e+20"/> | |
6682 <param name="write_log_messages" value="true"/> | |
6683 </section> | |
6684 </section> | |
6685 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6686 <output name="ctd_out" ftype="xml"> | |
6687 <assert_contents> | |
6688 <is_valid_xml/> | |
6689 </assert_contents> | |
6690 </output> | |
6691 </test> | |
6692 <test expect_num_outputs="2"> | |
6693 <conditional name="adv_opts_cond"> | |
6694 <param name="adv_opts_selector" value="advanced"/> | |
6695 <param name="force" value="false"/> | |
6696 <param name="test" value="true"/> | |
6697 </conditional> | |
6698 <param name="in" value="FileFilter_14_input.consensusXML"/> | |
6699 <output name="out" file="FileFilter_14_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
6700 <param name="out_type" value="consensusXML"/> | |
6701 <param name="rt" value=":"/> | |
6702 <param name="mz" value=":"/> | |
6703 <param name="int" value=":"/> | |
6704 <param name="sort" value="false"/> | |
6705 <section name="peak_options"> | |
6706 <param name="sn" value="0.0"/> | |
6707 <param name="rm_pc_charge" value=""/> | |
6708 <param name="pc_mz_range" value=":"/> | |
6709 <param name="pc_mz_list" value=""/> | |
6710 <param name="level" value="1 2 3"/> | |
6711 <param name="sort_peaks" value="false"/> | |
6712 <param name="no_chromatograms" value="false"/> | |
6713 <param name="remove_chromatograms" value="false"/> | |
6714 <param name="remove_empty" value="false"/> | |
6715 <param name="mz_precision" value="64"/> | |
6716 <param name="int_precision" value="32"/> | |
6717 <param name="indexed_file" value="true"/> | |
6718 <param name="zlib_compression" value="false"/> | |
6719 <section name="numpress"> | |
6720 <param name="masstime" value="none"/> | |
6721 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6722 <param name="intensity" value="none"/> | |
6723 <param name="float_da" value="none"/> | |
6724 </section> | |
6725 </section> | |
6726 <section name="spectra"> | |
6727 <param name="remove_zoom" value="false"/> | |
6728 <param name="remove_mode" value=""/> | |
6729 <param name="remove_activation" value=""/> | |
6730 <param name="remove_collision_energy" value=":"/> | |
6731 <param name="remove_isolation_window_width" value=":"/> | |
6732 <param name="select_zoom" value="false"/> | |
6733 <param name="select_mode" value=""/> | |
6734 <param name="select_activation" value=""/> | |
6735 <param name="select_collision_energy" value=":"/> | |
6736 <param name="select_isolation_window_width" value=":"/> | |
6737 <param name="select_polarity" value=""/> | |
6738 <section name="blackorwhitelist"> | |
6739 <param name="similarity_threshold" value="-1.0"/> | |
6740 <param name="rt" value="0.01"/> | |
6741 <param name="mz" value="0.01"/> | |
6742 <param name="use_ppm_tolerance" value="false"/> | |
6743 <param name="blacklist" value="true"/> | |
6744 </section> | |
6745 </section> | |
6746 <section name="feature"> | |
6747 <param name="q" value=":"/> | |
6748 </section> | |
6749 <section name="consensus"> | |
6750 <param name="map" value="0 2"/> | |
6751 <param name="map_and" value="false"/> | |
6752 <section name="blackorwhitelist"> | |
6753 <param name="blacklist" value="true"/> | |
6754 <param name="maps" value=""/> | |
6755 <param name="rt" value="60.0"/> | |
6756 <param name="mz" value="0.01"/> | |
6757 <param name="use_ppm_tolerance" value="false"/> | |
6758 </section> | |
6759 </section> | |
6760 <section name="f_and_c"> | |
6761 <param name="charge" value=":"/> | |
6762 <param name="size" value=":"/> | |
6763 <param name="remove_meta" value=""/> | |
6764 </section> | |
6765 <section name="id"> | |
6766 <param name="remove_clashes" value="false"/> | |
6767 <param name="keep_best_score_id" value="false"/> | |
6768 <param name="sequences_whitelist" value=""/> | |
6769 <param name="sequence_comparison_method" value="substring"/> | |
6770 <param name="accessions_whitelist" value=""/> | |
6771 <param name="remove_annotated_features" value="false"/> | |
6772 <param name="remove_unannotated_features" value="false"/> | |
6773 <param name="remove_unassigned_ids" value="false"/> | |
6774 <param name="rt" value="0.1"/> | |
6775 <param name="mz" value="0.001"/> | |
6776 <param name="blacklist_imperfect" value="false"/> | |
6777 </section> | |
6778 <section name="algorithm"> | |
6779 <section name="SignalToNoise"> | |
6780 <param name="max_intensity" value="-1"/> | |
6781 <param name="auto_max_stdev_factor" value="3.0"/> | |
6782 <param name="auto_max_percentile" value="95"/> | |
6783 <param name="auto_mode" value="0"/> | |
6784 <param name="win_len" value="200.0"/> | |
6785 <param name="bin_count" value="30"/> | |
6786 <param name="min_required_elements" value="10"/> | |
6787 <param name="noise_for_empty_window" value="1e+20"/> | |
6788 <param name="write_log_messages" value="true"/> | |
6789 </section> | |
6790 </section> | |
6791 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6792 <output name="ctd_out" ftype="xml"> | |
6793 <assert_contents> | |
6794 <is_valid_xml/> | |
6795 </assert_contents> | |
6796 </output> | |
6797 </test> | |
6798 <test expect_num_outputs="2"> | |
6799 <conditional name="adv_opts_cond"> | |
6800 <param name="adv_opts_selector" value="advanced"/> | |
6801 <param name="force" value="false"/> | |
6802 <param name="test" value="true"/> | |
6803 </conditional> | |
6804 <param name="in" value="FileFilter_15_input.featureXML"/> | |
6805 <output name="out" file="FileFilter_15_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
6806 <param name="out_type" value="featurexml"/> | |
6807 <param name="rt" value=":"/> | |
6808 <param name="mz" value=":"/> | |
6809 <param name="int" value=":"/> | |
6810 <param name="sort" value="false"/> | |
6811 <section name="peak_options"> | |
6812 <param name="sn" value="0.0"/> | |
6813 <param name="rm_pc_charge" value=""/> | |
6814 <param name="pc_mz_range" value=":"/> | |
6815 <param name="pc_mz_list" value=""/> | |
6816 <param name="level" value="1 2 3"/> | |
6817 <param name="sort_peaks" value="false"/> | |
6818 <param name="no_chromatograms" value="false"/> | |
6819 <param name="remove_chromatograms" value="false"/> | |
6820 <param name="remove_empty" value="false"/> | |
6821 <param name="mz_precision" value="64"/> | |
6822 <param name="int_precision" value="32"/> | |
6823 <param name="indexed_file" value="true"/> | |
6824 <param name="zlib_compression" value="false"/> | |
6825 <section name="numpress"> | |
6826 <param name="masstime" value="none"/> | |
6827 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6828 <param name="intensity" value="none"/> | |
6829 <param name="float_da" value="none"/> | |
6830 </section> | |
6831 </section> | |
6832 <section name="spectra"> | |
6833 <param name="remove_zoom" value="false"/> | |
6834 <param name="remove_mode" value=""/> | |
6835 <param name="remove_activation" value=""/> | |
6836 <param name="remove_collision_energy" value=":"/> | |
6837 <param name="remove_isolation_window_width" value=":"/> | |
6838 <param name="select_zoom" value="false"/> | |
6839 <param name="select_mode" value=""/> | |
6840 <param name="select_activation" value=""/> | |
6841 <param name="select_collision_energy" value=":"/> | |
6842 <param name="select_isolation_window_width" value=":"/> | |
6843 <param name="select_polarity" value=""/> | |
6844 <section name="blackorwhitelist"> | |
6845 <param name="similarity_threshold" value="-1.0"/> | |
6846 <param name="rt" value="0.01"/> | |
6847 <param name="mz" value="0.01"/> | |
6848 <param name="use_ppm_tolerance" value="false"/> | |
6849 <param name="blacklist" value="true"/> | |
6850 </section> | |
6851 </section> | |
6852 <section name="feature"> | |
6853 <param name="q" value=":"/> | |
6854 </section> | |
6855 <section name="consensus"> | |
6856 <param name="map" value=""/> | |
6857 <param name="map_and" value="false"/> | |
6858 <section name="blackorwhitelist"> | |
6859 <param name="blacklist" value="true"/> | |
6860 <param name="maps" value=""/> | |
6861 <param name="rt" value="60.0"/> | |
6862 <param name="mz" value="0.01"/> | |
6863 <param name="use_ppm_tolerance" value="false"/> | |
6864 </section> | |
6865 </section> | |
6866 <section name="f_and_c"> | |
6867 <param name="charge" value=":"/> | |
6868 <param name="size" value=":"/> | |
6869 <param name="remove_meta" value=""/> | |
6870 </section> | |
6871 <section name="id"> | |
6872 <param name="remove_clashes" value="false"/> | |
6873 <param name="keep_best_score_id" value="false"/> | |
6874 <param name="sequences_whitelist" value=""Oxidation""/> | |
6875 <param name="sequence_comparison_method" value="substring"/> | |
6876 <param name="accessions_whitelist" value=""/> | |
6877 <param name="remove_annotated_features" value="false"/> | |
6878 <param name="remove_unannotated_features" value="false"/> | |
6879 <param name="remove_unassigned_ids" value="true"/> | |
6880 <param name="rt" value="0.1"/> | |
6881 <param name="mz" value="0.001"/> | |
6882 <param name="blacklist_imperfect" value="false"/> | |
6883 </section> | |
6884 <section name="algorithm"> | |
6885 <section name="SignalToNoise"> | |
6886 <param name="max_intensity" value="-1"/> | |
6887 <param name="auto_max_stdev_factor" value="3.0"/> | |
6888 <param name="auto_max_percentile" value="95"/> | |
6889 <param name="auto_mode" value="0"/> | |
6890 <param name="win_len" value="200.0"/> | |
6891 <param name="bin_count" value="30"/> | |
6892 <param name="min_required_elements" value="10"/> | |
6893 <param name="noise_for_empty_window" value="1e+20"/> | |
6894 <param name="write_log_messages" value="true"/> | |
6895 </section> | |
6896 </section> | |
6897 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6898 <output name="ctd_out" ftype="xml"> | |
6899 <assert_contents> | |
6900 <is_valid_xml/> | |
6901 </assert_contents> | |
6902 </output> | |
6903 </test> | |
6904 <test expect_num_outputs="2"> | |
6905 <conditional name="adv_opts_cond"> | |
6906 <param name="adv_opts_selector" value="advanced"/> | |
6907 <param name="force" value="false"/> | |
6908 <param name="test" value="true"/> | |
6909 </conditional> | |
6910 <param name="in" value="FileFilter_15_input.featureXML"/> | |
6911 <output name="out" file="FileFilter_16_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
6912 <param name="out_type" value="featurexml"/> | |
6913 <param name="rt" value="3000:4000"/> | |
6914 <param name="mz" value="400:600"/> | |
6915 <param name="int" value=":"/> | |
6916 <param name="sort" value="false"/> | |
6917 <section name="peak_options"> | |
6918 <param name="sn" value="0.0"/> | |
6919 <param name="rm_pc_charge" value=""/> | |
6920 <param name="pc_mz_range" value=":"/> | |
6921 <param name="pc_mz_list" value=""/> | |
6922 <param name="level" value="1 2 3"/> | |
6923 <param name="sort_peaks" value="false"/> | |
6924 <param name="no_chromatograms" value="false"/> | |
6925 <param name="remove_chromatograms" value="false"/> | |
6926 <param name="remove_empty" value="false"/> | |
6927 <param name="mz_precision" value="64"/> | |
6928 <param name="int_precision" value="32"/> | |
6929 <param name="indexed_file" value="true"/> | |
6930 <param name="zlib_compression" value="false"/> | |
6931 <section name="numpress"> | |
6932 <param name="masstime" value="none"/> | |
6933 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6934 <param name="intensity" value="none"/> | |
6935 <param name="float_da" value="none"/> | |
6936 </section> | |
6937 </section> | |
6938 <section name="spectra"> | |
6939 <param name="remove_zoom" value="false"/> | |
6940 <param name="remove_mode" value=""/> | |
6941 <param name="remove_activation" value=""/> | |
6942 <param name="remove_collision_energy" value=":"/> | |
6943 <param name="remove_isolation_window_width" value=":"/> | |
6944 <param name="select_zoom" value="false"/> | |
6945 <param name="select_mode" value=""/> | |
6946 <param name="select_activation" value=""/> | |
6947 <param name="select_collision_energy" value=":"/> | |
6948 <param name="select_isolation_window_width" value=":"/> | |
6949 <param name="select_polarity" value=""/> | |
6950 <section name="blackorwhitelist"> | |
6951 <param name="similarity_threshold" value="-1.0"/> | |
6952 <param name="rt" value="0.01"/> | |
6953 <param name="mz" value="0.01"/> | |
6954 <param name="use_ppm_tolerance" value="false"/> | |
6955 <param name="blacklist" value="true"/> | |
6956 </section> | |
6957 </section> | |
6958 <section name="feature"> | |
6959 <param name="q" value=":"/> | |
6960 </section> | |
6961 <section name="consensus"> | |
6962 <param name="map" value=""/> | |
6963 <param name="map_and" value="false"/> | |
6964 <section name="blackorwhitelist"> | |
6965 <param name="blacklist" value="true"/> | |
6966 <param name="maps" value=""/> | |
6967 <param name="rt" value="60.0"/> | |
6968 <param name="mz" value="0.01"/> | |
6969 <param name="use_ppm_tolerance" value="false"/> | |
6970 </section> | |
6971 </section> | |
6972 <section name="f_and_c"> | |
6973 <param name="charge" value=":"/> | |
6974 <param name="size" value=":"/> | |
6975 <param name="remove_meta" value=""/> | |
6976 </section> | |
6977 <section name="id"> | |
6978 <param name="remove_clashes" value="false"/> | |
6979 <param name="keep_best_score_id" value="false"/> | |
6980 <param name="sequences_whitelist" value=""Oxidation""/> | |
6981 <param name="sequence_comparison_method" value="substring"/> | |
6982 <param name="accessions_whitelist" value=""/> | |
6983 <param name="remove_annotated_features" value="false"/> | |
6984 <param name="remove_unannotated_features" value="false"/> | |
6985 <param name="remove_unassigned_ids" value="true"/> | |
6986 <param name="rt" value="0.1"/> | |
6987 <param name="mz" value="0.001"/> | |
6988 <param name="blacklist_imperfect" value="false"/> | |
6989 </section> | |
6990 <section name="algorithm"> | |
6991 <section name="SignalToNoise"> | |
6992 <param name="max_intensity" value="-1"/> | |
6993 <param name="auto_max_stdev_factor" value="3.0"/> | |
6994 <param name="auto_max_percentile" value="95"/> | |
6995 <param name="auto_mode" value="0"/> | |
6996 <param name="win_len" value="200.0"/> | |
6997 <param name="bin_count" value="30"/> | |
6998 <param name="min_required_elements" value="10"/> | |
6999 <param name="noise_for_empty_window" value="1e+20"/> | |
7000 <param name="write_log_messages" value="true"/> | |
7001 </section> | |
7002 </section> | |
7003 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7004 <output name="ctd_out" ftype="xml"> | |
7005 <assert_contents> | |
7006 <is_valid_xml/> | |
7007 </assert_contents> | |
7008 </output> | |
7009 </test> | |
7010 <test expect_num_outputs="2"> | |
7011 <conditional name="adv_opts_cond"> | |
7012 <param name="adv_opts_selector" value="advanced"/> | |
7013 <param name="force" value="false"/> | |
7014 <param name="test" value="true"/> | |
7015 </conditional> | |
7016 <param name="in" value="FileFilter_15_input.featureXML"/> | |
7017 <output name="out" file="FileFilter_17_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
7018 <param name="out_type" value="featurexml"/> | |
7019 <param name="rt" value="3000:4000"/> | |
7020 <param name="mz" value="400:600"/> | |
7021 <param name="int" value=":"/> | |
7022 <param name="sort" value="false"/> | |
7023 <section name="peak_options"> | |
7024 <param name="sn" value="0.0"/> | |
7025 <param name="rm_pc_charge" value=""/> | |
7026 <param name="pc_mz_range" value=":"/> | |
7027 <param name="pc_mz_list" value=""/> | |
7028 <param name="level" value="1 2 3"/> | |
7029 <param name="sort_peaks" value="false"/> | |
7030 <param name="no_chromatograms" value="false"/> | |
7031 <param name="remove_chromatograms" value="false"/> | |
7032 <param name="remove_empty" value="false"/> | |
7033 <param name="mz_precision" value="64"/> | |
7034 <param name="int_precision" value="32"/> | |
7035 <param name="indexed_file" value="true"/> | |
7036 <param name="zlib_compression" value="false"/> | |
7037 <section name="numpress"> | |
7038 <param name="masstime" value="none"/> | |
7039 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7040 <param name="intensity" value="none"/> | |
7041 <param name="float_da" value="none"/> | |
7042 </section> | |
7043 </section> | |
7044 <section name="spectra"> | |
7045 <param name="remove_zoom" value="false"/> | |
7046 <param name="remove_mode" value=""/> | |
7047 <param name="remove_activation" value=""/> | |
7048 <param name="remove_collision_energy" value=":"/> | |
7049 <param name="remove_isolation_window_width" value=":"/> | |
7050 <param name="select_zoom" value="false"/> | |
7051 <param name="select_mode" value=""/> | |
7052 <param name="select_activation" value=""/> | |
7053 <param name="select_collision_energy" value=":"/> | |
7054 <param name="select_isolation_window_width" value=":"/> | |
7055 <param name="select_polarity" value=""/> | |
7056 <section name="blackorwhitelist"> | |
7057 <param name="similarity_threshold" value="-1.0"/> | |
7058 <param name="rt" value="0.01"/> | |
7059 <param name="mz" value="0.01"/> | |
7060 <param name="use_ppm_tolerance" value="false"/> | |
7061 <param name="blacklist" value="true"/> | |
7062 </section> | |
7063 </section> | |
7064 <section name="feature"> | |
7065 <param name="q" value=":"/> | |
7066 </section> | |
7067 <section name="consensus"> | |
7068 <param name="map" value=""/> | |
7069 <param name="map_and" value="false"/> | |
7070 <section name="blackorwhitelist"> | |
7071 <param name="blacklist" value="true"/> | |
7072 <param name="maps" value=""/> | |
7073 <param name="rt" value="60.0"/> | |
7074 <param name="mz" value="0.01"/> | |
7075 <param name="use_ppm_tolerance" value="false"/> | |
7076 </section> | |
7077 </section> | |
7078 <section name="f_and_c"> | |
7079 <param name="charge" value=":"/> | |
7080 <param name="size" value=":"/> | |
7081 <param name="remove_meta" value=""/> | |
7082 </section> | |
7083 <section name="id"> | |
7084 <param name="remove_clashes" value="false"/> | |
7085 <param name="keep_best_score_id" value="false"/> | |
7086 <param name="sequences_whitelist" value=""/> | |
7087 <param name="sequence_comparison_method" value="substring"/> | |
7088 <param name="accessions_whitelist" value=""/> | |
7089 <param name="remove_annotated_features" value="true"/> | |
7090 <param name="remove_unannotated_features" value="false"/> | |
7091 <param name="remove_unassigned_ids" value="false"/> | |
7092 <param name="rt" value="0.1"/> | |
7093 <param name="mz" value="0.001"/> | |
7094 <param name="blacklist_imperfect" value="false"/> | |
7095 </section> | |
7096 <section name="algorithm"> | |
7097 <section name="SignalToNoise"> | |
7098 <param name="max_intensity" value="-1"/> | |
7099 <param name="auto_max_stdev_factor" value="3.0"/> | |
7100 <param name="auto_max_percentile" value="95"/> | |
7101 <param name="auto_mode" value="0"/> | |
7102 <param name="win_len" value="200.0"/> | |
7103 <param name="bin_count" value="30"/> | |
7104 <param name="min_required_elements" value="10"/> | |
7105 <param name="noise_for_empty_window" value="1e+20"/> | |
7106 <param name="write_log_messages" value="true"/> | |
7107 </section> | |
7108 </section> | |
7109 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7110 <output name="ctd_out" ftype="xml"> | |
7111 <assert_contents> | |
7112 <is_valid_xml/> | |
7113 </assert_contents> | |
7114 </output> | |
7115 </test> | |
7116 <test expect_num_outputs="2"> | |
7117 <conditional name="adv_opts_cond"> | |
7118 <param name="adv_opts_selector" value="advanced"/> | |
7119 <param name="force" value="false"/> | |
7120 <param name="test" value="true"/> | |
7121 </conditional> | |
7122 <param name="in" value="FileFilter_18_input.consensusXML"/> | |
7123 <output name="out" file="FileFilter_18_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
7124 <param name="out_type" value="consensusxml"/> | |
7125 <param name="rt" value=":"/> | |
7126 <param name="mz" value=":"/> | |
7127 <param name="int" value=":"/> | |
7128 <param name="sort" value="false"/> | |
7129 <section name="peak_options"> | |
7130 <param name="sn" value="0.0"/> | |
7131 <param name="rm_pc_charge" value=""/> | |
7132 <param name="pc_mz_range" value=":"/> | |
7133 <param name="pc_mz_list" value=""/> | |
7134 <param name="level" value="1 2 3"/> | |
7135 <param name="sort_peaks" value="false"/> | |
7136 <param name="no_chromatograms" value="false"/> | |
7137 <param name="remove_chromatograms" value="false"/> | |
7138 <param name="remove_empty" value="false"/> | |
7139 <param name="mz_precision" value="64"/> | |
7140 <param name="int_precision" value="32"/> | |
7141 <param name="indexed_file" value="true"/> | |
7142 <param name="zlib_compression" value="false"/> | |
7143 <section name="numpress"> | |
7144 <param name="masstime" value="none"/> | |
7145 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7146 <param name="intensity" value="none"/> | |
7147 <param name="float_da" value="none"/> | |
7148 </section> | |
7149 </section> | |
7150 <section name="spectra"> | |
7151 <param name="remove_zoom" value="false"/> | |
7152 <param name="remove_mode" value=""/> | |
7153 <param name="remove_activation" value=""/> | |
7154 <param name="remove_collision_energy" value=":"/> | |
7155 <param name="remove_isolation_window_width" value=":"/> | |
7156 <param name="select_zoom" value="false"/> | |
7157 <param name="select_mode" value=""/> | |
7158 <param name="select_activation" value=""/> | |
7159 <param name="select_collision_energy" value=":"/> | |
7160 <param name="select_isolation_window_width" value=":"/> | |
7161 <param name="select_polarity" value=""/> | |
7162 <section name="blackorwhitelist"> | |
7163 <param name="similarity_threshold" value="-1.0"/> | |
7164 <param name="rt" value="0.01"/> | |
7165 <param name="mz" value="0.01"/> | |
7166 <param name="use_ppm_tolerance" value="false"/> | |
7167 <param name="blacklist" value="true"/> | |
7168 </section> | |
7169 </section> | |
7170 <section name="feature"> | |
7171 <param name="q" value=":"/> | |
7172 </section> | |
7173 <section name="consensus"> | |
7174 <param name="map" value=""/> | |
7175 <param name="map_and" value="false"/> | |
7176 <section name="blackorwhitelist"> | |
7177 <param name="blacklist" value="true"/> | |
7178 <param name="maps" value=""/> | |
7179 <param name="rt" value="60.0"/> | |
7180 <param name="mz" value="0.01"/> | |
7181 <param name="use_ppm_tolerance" value="false"/> | |
7182 </section> | |
7183 </section> | |
7184 <section name="f_and_c"> | |
7185 <param name="charge" value=":"/> | |
7186 <param name="size" value=":"/> | |
7187 <param name="remove_meta" value=""/> | |
7188 </section> | |
7189 <section name="id"> | |
7190 <param name="remove_clashes" value="false"/> | |
7191 <param name="keep_best_score_id" value="false"/> | |
7192 <param name="sequences_whitelist" value=""Oxidation""/> | |
7193 <param name="sequence_comparison_method" value="substring"/> | |
7194 <param name="accessions_whitelist" value=""/> | |
7195 <param name="remove_annotated_features" value="false"/> | |
7196 <param name="remove_unannotated_features" value="false"/> | |
7197 <param name="remove_unassigned_ids" value="true"/> | |
7198 <param name="rt" value="0.1"/> | |
7199 <param name="mz" value="0.001"/> | |
7200 <param name="blacklist_imperfect" value="false"/> | |
7201 </section> | |
7202 <section name="algorithm"> | |
7203 <section name="SignalToNoise"> | |
7204 <param name="max_intensity" value="-1"/> | |
7205 <param name="auto_max_stdev_factor" value="3.0"/> | |
7206 <param name="auto_max_percentile" value="95"/> | |
7207 <param name="auto_mode" value="0"/> | |
7208 <param name="win_len" value="200.0"/> | |
7209 <param name="bin_count" value="30"/> | |
7210 <param name="min_required_elements" value="10"/> | |
7211 <param name="noise_for_empty_window" value="1e+20"/> | |
7212 <param name="write_log_messages" value="true"/> | |
7213 </section> | |
7214 </section> | |
7215 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7216 <output name="ctd_out" ftype="xml"> | |
7217 <assert_contents> | |
7218 <is_valid_xml/> | |
7219 </assert_contents> | |
7220 </output> | |
7221 </test> | |
7222 <test expect_num_outputs="2"> | |
7223 <conditional name="adv_opts_cond"> | |
7224 <param name="adv_opts_selector" value="advanced"/> | |
7225 <param name="force" value="false"/> | |
7226 <param name="test" value="true"/> | |
7227 </conditional> | |
7228 <param name="in" value="FileFilter_18_input.consensusXML"/> | |
7229 <output name="out" file="FileFilter_19_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
7230 <param name="out_type" value="consensusxml"/> | |
7231 <param name="rt" value="3000:4000"/> | |
7232 <param name="mz" value="400:600"/> | |
7233 <param name="int" value=":"/> | |
7234 <param name="sort" value="false"/> | |
7235 <section name="peak_options"> | |
7236 <param name="sn" value="0.0"/> | |
7237 <param name="rm_pc_charge" value=""/> | |
7238 <param name="pc_mz_range" value=":"/> | |
7239 <param name="pc_mz_list" value=""/> | |
7240 <param name="level" value="1 2 3"/> | |
7241 <param name="sort_peaks" value="false"/> | |
7242 <param name="no_chromatograms" value="false"/> | |
7243 <param name="remove_chromatograms" value="false"/> | |
7244 <param name="remove_empty" value="false"/> | |
7245 <param name="mz_precision" value="64"/> | |
7246 <param name="int_precision" value="32"/> | |
7247 <param name="indexed_file" value="true"/> | |
7248 <param name="zlib_compression" value="false"/> | |
7249 <section name="numpress"> | |
7250 <param name="masstime" value="none"/> | |
7251 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7252 <param name="intensity" value="none"/> | |
7253 <param name="float_da" value="none"/> | |
7254 </section> | |
7255 </section> | |
7256 <section name="spectra"> | |
7257 <param name="remove_zoom" value="false"/> | |
7258 <param name="remove_mode" value=""/> | |
7259 <param name="remove_activation" value=""/> | |
7260 <param name="remove_collision_energy" value=":"/> | |
7261 <param name="remove_isolation_window_width" value=":"/> | |
7262 <param name="select_zoom" value="false"/> | |
7263 <param name="select_mode" value=""/> | |
7264 <param name="select_activation" value=""/> | |
7265 <param name="select_collision_energy" value=":"/> | |
7266 <param name="select_isolation_window_width" value=":"/> | |
7267 <param name="select_polarity" value=""/> | |
7268 <section name="blackorwhitelist"> | |
7269 <param name="similarity_threshold" value="-1.0"/> | |
7270 <param name="rt" value="0.01"/> | |
7271 <param name="mz" value="0.01"/> | |
7272 <param name="use_ppm_tolerance" value="false"/> | |
7273 <param name="blacklist" value="true"/> | |
7274 </section> | |
7275 </section> | |
7276 <section name="feature"> | |
7277 <param name="q" value=":"/> | |
7278 </section> | |
7279 <section name="consensus"> | |
7280 <param name="map" value=""/> | |
7281 <param name="map_and" value="false"/> | |
7282 <section name="blackorwhitelist"> | |
7283 <param name="blacklist" value="true"/> | |
7284 <param name="maps" value=""/> | |
7285 <param name="rt" value="60.0"/> | |
7286 <param name="mz" value="0.01"/> | |
7287 <param name="use_ppm_tolerance" value="false"/> | |
7288 </section> | |
7289 </section> | |
7290 <section name="f_and_c"> | |
7291 <param name="charge" value=":"/> | |
7292 <param name="size" value=":"/> | |
7293 <param name="remove_meta" value=""/> | |
7294 </section> | |
7295 <section name="id"> | |
7296 <param name="remove_clashes" value="false"/> | |
7297 <param name="keep_best_score_id" value="false"/> | |
7298 <param name="sequences_whitelist" value=""/> | |
7299 <param name="sequence_comparison_method" value="substring"/> | |
7300 <param name="accessions_whitelist" value=""/> | |
7301 <param name="remove_annotated_features" value="false"/> | |
7302 <param name="remove_unannotated_features" value="true"/> | |
7303 <param name="remove_unassigned_ids" value="false"/> | |
7304 <param name="rt" value="0.1"/> | |
7305 <param name="mz" value="0.001"/> | |
7306 <param name="blacklist_imperfect" value="false"/> | |
7307 </section> | |
7308 <section name="algorithm"> | |
7309 <section name="SignalToNoise"> | |
7310 <param name="max_intensity" value="-1"/> | |
7311 <param name="auto_max_stdev_factor" value="3.0"/> | |
7312 <param name="auto_max_percentile" value="95"/> | |
7313 <param name="auto_mode" value="0"/> | |
7314 <param name="win_len" value="200.0"/> | |
7315 <param name="bin_count" value="30"/> | |
7316 <param name="min_required_elements" value="10"/> | |
7317 <param name="noise_for_empty_window" value="1e+20"/> | |
7318 <param name="write_log_messages" value="true"/> | |
7319 </section> | |
7320 </section> | |
7321 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7322 <output name="ctd_out" ftype="xml"> | |
7323 <assert_contents> | |
7324 <is_valid_xml/> | |
7325 </assert_contents> | |
7326 </output> | |
7327 </test> | |
7328 <test expect_num_outputs="2"> | |
7329 <conditional name="adv_opts_cond"> | |
7330 <param name="adv_opts_selector" value="advanced"/> | |
7331 <param name="force" value="false"/> | |
7332 <param name="test" value="true"/> | |
7333 </conditional> | |
7334 <param name="in" value="FileFilter_15_input.featureXML"/> | |
7335 <output name="out" file="FileFilter_20_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
7336 <param name="out_type" value="featurexml"/> | |
7337 <param name="rt" value=":"/> | |
7338 <param name="mz" value=":"/> | |
7339 <param name="int" value=":"/> | |
7340 <param name="sort" value="false"/> | |
7341 <section name="peak_options"> | |
7342 <param name="sn" value="0.0"/> | |
7343 <param name="rm_pc_charge" value=""/> | |
7344 <param name="pc_mz_range" value=":"/> | |
7345 <param name="pc_mz_list" value=""/> | |
7346 <param name="level" value="1 2 3"/> | |
7347 <param name="sort_peaks" value="false"/> | |
7348 <param name="no_chromatograms" value="false"/> | |
7349 <param name="remove_chromatograms" value="false"/> | |
7350 <param name="remove_empty" value="false"/> | |
7351 <param name="mz_precision" value="64"/> | |
7352 <param name="int_precision" value="32"/> | |
7353 <param name="indexed_file" value="true"/> | |
7354 <param name="zlib_compression" value="false"/> | |
7355 <section name="numpress"> | |
7356 <param name="masstime" value="none"/> | |
7357 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7358 <param name="intensity" value="none"/> | |
7359 <param name="float_da" value="none"/> | |
7360 </section> | |
7361 </section> | |
7362 <section name="spectra"> | |
7363 <param name="remove_zoom" value="false"/> | |
7364 <param name="remove_mode" value=""/> | |
7365 <param name="remove_activation" value=""/> | |
7366 <param name="remove_collision_energy" value=":"/> | |
7367 <param name="remove_isolation_window_width" value=":"/> | |
7368 <param name="select_zoom" value="false"/> | |
7369 <param name="select_mode" value=""/> | |
7370 <param name="select_activation" value=""/> | |
7371 <param name="select_collision_energy" value=":"/> | |
7372 <param name="select_isolation_window_width" value=":"/> | |
7373 <param name="select_polarity" value=""/> | |
7374 <section name="blackorwhitelist"> | |
7375 <param name="similarity_threshold" value="-1.0"/> | |
7376 <param name="rt" value="0.01"/> | |
7377 <param name="mz" value="0.01"/> | |
7378 <param name="use_ppm_tolerance" value="false"/> | |
7379 <param name="blacklist" value="true"/> | |
7380 </section> | |
7381 </section> | |
7382 <section name="feature"> | |
7383 <param name="q" value=":"/> | |
7384 </section> | |
7385 <section name="consensus"> | |
7386 <param name="map" value=""/> | |
7387 <param name="map_and" value="false"/> | |
7388 <section name="blackorwhitelist"> | |
7389 <param name="blacklist" value="true"/> | |
7390 <param name="maps" value=""/> | |
7391 <param name="rt" value="60.0"/> | |
7392 <param name="mz" value="0.01"/> | |
7393 <param name="use_ppm_tolerance" value="false"/> | |
7394 </section> | |
7395 </section> | |
7396 <section name="f_and_c"> | |
7397 <param name="charge" value=":"/> | |
7398 <param name="size" value=":"/> | |
7399 <param name="remove_meta" value=""/> | |
7400 </section> | |
7401 <section name="id"> | |
7402 <param name="remove_clashes" value="false"/> | |
7403 <param name="keep_best_score_id" value="false"/> | |
7404 <param name="sequences_whitelist" value=""/> | |
7405 <param name="sequence_comparison_method" value="substring"/> | |
7406 <param name="accessions_whitelist" value=""YDL217C""/> | |
7407 <param name="remove_annotated_features" value="false"/> | |
7408 <param name="remove_unannotated_features" value="false"/> | |
7409 <param name="remove_unassigned_ids" value="true"/> | |
7410 <param name="rt" value="0.1"/> | |
7411 <param name="mz" value="0.001"/> | |
7412 <param name="blacklist_imperfect" value="false"/> | |
7413 </section> | |
7414 <section name="algorithm"> | |
7415 <section name="SignalToNoise"> | |
7416 <param name="max_intensity" value="-1"/> | |
7417 <param name="auto_max_stdev_factor" value="3.0"/> | |
7418 <param name="auto_max_percentile" value="95"/> | |
7419 <param name="auto_mode" value="0"/> | |
7420 <param name="win_len" value="200.0"/> | |
7421 <param name="bin_count" value="30"/> | |
7422 <param name="min_required_elements" value="10"/> | |
7423 <param name="noise_for_empty_window" value="1e+20"/> | |
7424 <param name="write_log_messages" value="true"/> | |
7425 </section> | |
7426 </section> | |
7427 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7428 <output name="ctd_out" ftype="xml"> | |
7429 <assert_contents> | |
7430 <is_valid_xml/> | |
7431 </assert_contents> | |
7432 </output> | |
7433 </test> | |
7434 <test expect_num_outputs="2"> | |
7435 <conditional name="adv_opts_cond"> | |
7436 <param name="adv_opts_selector" value="advanced"/> | |
7437 <param name="force" value="false"/> | |
7438 <param name="test" value="true"/> | |
7439 </conditional> | |
7440 <param name="in" value="FileFilter_15_input.featureXML"/> | |
7441 <output name="out" file="FileFilter_21_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
7442 <param name="out_type" value="featurexml"/> | |
7443 <param name="rt" value=":"/> | |
7444 <param name="mz" value=":"/> | |
7445 <param name="int" value=":"/> | |
7446 <param name="sort" value="false"/> | |
7447 <section name="peak_options"> | |
7448 <param name="sn" value="0.0"/> | |
7449 <param name="rm_pc_charge" value=""/> | |
7450 <param name="pc_mz_range" value=":"/> | |
7451 <param name="pc_mz_list" value=""/> | |
7452 <param name="level" value="1 2 3"/> | |
7453 <param name="sort_peaks" value="false"/> | |
7454 <param name="no_chromatograms" value="false"/> | |
7455 <param name="remove_chromatograms" value="false"/> | |
7456 <param name="remove_empty" value="false"/> | |
7457 <param name="mz_precision" value="64"/> | |
7458 <param name="int_precision" value="32"/> | |
7459 <param name="indexed_file" value="true"/> | |
7460 <param name="zlib_compression" value="false"/> | |
7461 <section name="numpress"> | |
7462 <param name="masstime" value="none"/> | |
7463 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7464 <param name="intensity" value="none"/> | |
7465 <param name="float_da" value="none"/> | |
7466 </section> | |
7467 </section> | |
7468 <section name="spectra"> | |
7469 <param name="remove_zoom" value="false"/> | |
7470 <param name="remove_mode" value=""/> | |
7471 <param name="remove_activation" value=""/> | |
7472 <param name="remove_collision_energy" value=":"/> | |
7473 <param name="remove_isolation_window_width" value=":"/> | |
7474 <param name="select_zoom" value="false"/> | |
7475 <param name="select_mode" value=""/> | |
7476 <param name="select_activation" value=""/> | |
7477 <param name="select_collision_energy" value=":"/> | |
7478 <param name="select_isolation_window_width" value=":"/> | |
7479 <param name="select_polarity" value=""/> | |
7480 <section name="blackorwhitelist"> | |
7481 <param name="similarity_threshold" value="-1.0"/> | |
7482 <param name="rt" value="0.01"/> | |
7483 <param name="mz" value="0.01"/> | |
7484 <param name="use_ppm_tolerance" value="false"/> | |
7485 <param name="blacklist" value="true"/> | |
7486 </section> | |
7487 </section> | |
7488 <section name="feature"> | |
7489 <param name="q" value=":"/> | |
7490 </section> | |
7491 <section name="consensus"> | |
7492 <param name="map" value=""/> | |
7493 <param name="map_and" value="false"/> | |
7494 <section name="blackorwhitelist"> | |
7495 <param name="blacklist" value="true"/> | |
7496 <param name="maps" value=""/> | |
7497 <param name="rt" value="60.0"/> | |
7498 <param name="mz" value="0.01"/> | |
7499 <param name="use_ppm_tolerance" value="false"/> | |
7500 </section> | |
7501 </section> | |
7502 <section name="f_and_c"> | |
7503 <param name="charge" value=":"/> | |
7504 <param name="size" value=":"/> | |
7505 <param name="remove_meta" value=""/> | |
7506 </section> | |
7507 <section name="id"> | |
7508 <param name="remove_clashes" value="false"/> | |
7509 <param name="keep_best_score_id" value="true"/> | |
7510 <param name="sequences_whitelist" value=""/> | |
7511 <param name="sequence_comparison_method" value="substring"/> | |
7512 <param name="accessions_whitelist" value=""/> | |
7513 <param name="remove_annotated_features" value="false"/> | |
7514 <param name="remove_unannotated_features" value="true"/> | |
7515 <param name="remove_unassigned_ids" value="true"/> | |
7516 <param name="rt" value="0.1"/> | |
7517 <param name="mz" value="0.001"/> | |
7518 <param name="blacklist_imperfect" value="false"/> | |
7519 </section> | |
7520 <section name="algorithm"> | |
7521 <section name="SignalToNoise"> | |
7522 <param name="max_intensity" value="-1"/> | |
7523 <param name="auto_max_stdev_factor" value="3.0"/> | |
7524 <param name="auto_max_percentile" value="95"/> | |
7525 <param name="auto_mode" value="0"/> | |
7526 <param name="win_len" value="200.0"/> | |
7527 <param name="bin_count" value="30"/> | |
7528 <param name="min_required_elements" value="10"/> | |
7529 <param name="noise_for_empty_window" value="1e+20"/> | |
7530 <param name="write_log_messages" value="true"/> | |
7531 </section> | |
7532 </section> | |
7533 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7534 <output name="ctd_out" ftype="xml"> | |
7535 <assert_contents> | |
7536 <is_valid_xml/> | |
7537 </assert_contents> | |
7538 </output> | |
7539 </test> | |
7540 <test expect_num_outputs="2"> | |
7541 <conditional name="adv_opts_cond"> | |
7542 <param name="adv_opts_selector" value="advanced"/> | |
7543 <param name="force" value="false"/> | |
7544 <param name="test" value="true"/> | |
7545 </conditional> | |
7546 <param name="in" value="FileFilter_22_input.consensusXML"/> | |
7547 <output name="out" file="FileFilter_22_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
7548 <param name="out_type" value="consensusxml"/> | |
7549 <param name="rt" value=":"/> | |
7550 <param name="mz" value=":"/> | |
7551 <param name="int" value=":"/> | |
7552 <param name="sort" value="false"/> | |
7553 <section name="peak_options"> | |
7554 <param name="sn" value="0.0"/> | |
7555 <param name="rm_pc_charge" value=""/> | |
7556 <param name="pc_mz_range" value=":"/> | |
7557 <param name="pc_mz_list" value=""/> | |
7558 <param name="level" value="1 2 3"/> | |
7559 <param name="sort_peaks" value="false"/> | |
7560 <param name="no_chromatograms" value="false"/> | |
7561 <param name="remove_chromatograms" value="false"/> | |
7562 <param name="remove_empty" value="false"/> | |
7563 <param name="mz_precision" value="64"/> | |
7564 <param name="int_precision" value="32"/> | |
7565 <param name="indexed_file" value="true"/> | |
7566 <param name="zlib_compression" value="false"/> | |
7567 <section name="numpress"> | |
7568 <param name="masstime" value="none"/> | |
7569 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7570 <param name="intensity" value="none"/> | |
7571 <param name="float_da" value="none"/> | |
7572 </section> | |
7573 </section> | |
7574 <section name="spectra"> | |
7575 <param name="remove_zoom" value="false"/> | |
7576 <param name="remove_mode" value=""/> | |
7577 <param name="remove_activation" value=""/> | |
7578 <param name="remove_collision_energy" value=":"/> | |
7579 <param name="remove_isolation_window_width" value=":"/> | |
7580 <param name="select_zoom" value="false"/> | |
7581 <param name="select_mode" value=""/> | |
7582 <param name="select_activation" value=""/> | |
7583 <param name="select_collision_energy" value=":"/> | |
7584 <param name="select_isolation_window_width" value=":"/> | |
7585 <param name="select_polarity" value=""/> | |
7586 <section name="blackorwhitelist"> | |
7587 <param name="similarity_threshold" value="-1.0"/> | |
7588 <param name="rt" value="0.01"/> | |
7589 <param name="mz" value="0.01"/> | |
7590 <param name="use_ppm_tolerance" value="false"/> | |
7591 <param name="blacklist" value="true"/> | |
7592 </section> | |
7593 </section> | |
7594 <section name="feature"> | |
7595 <param name="q" value=":"/> | |
7596 </section> | |
7597 <section name="consensus"> | |
7598 <param name="map" value=""/> | |
7599 <param name="map_and" value="false"/> | |
7600 <section name="blackorwhitelist"> | |
7601 <param name="blacklist" value="true"/> | |
7602 <param name="maps" value=""/> | |
7603 <param name="rt" value="60.0"/> | |
7604 <param name="mz" value="0.01"/> | |
7605 <param name="use_ppm_tolerance" value="false"/> | |
7606 </section> | |
7607 </section> | |
7608 <section name="f_and_c"> | |
7609 <param name="charge" value=":"/> | |
7610 <param name="size" value=":"/> | |
7611 <param name="remove_meta" value=""distinct_charges" "gt" "1,2""/> | |
7612 </section> | |
7613 <section name="id"> | |
7614 <param name="remove_clashes" value="false"/> | |
7615 <param name="keep_best_score_id" value="false"/> | |
7616 <param name="sequences_whitelist" value=""/> | |
7617 <param name="sequence_comparison_method" value="substring"/> | |
7618 <param name="accessions_whitelist" value=""/> | |
7619 <param name="remove_annotated_features" value="false"/> | |
7620 <param name="remove_unannotated_features" value="false"/> | |
7621 <param name="remove_unassigned_ids" value="false"/> | |
7622 <param name="rt" value="0.1"/> | |
7623 <param name="mz" value="0.001"/> | |
7624 <param name="blacklist_imperfect" value="false"/> | |
7625 </section> | |
7626 <section name="algorithm"> | |
7627 <section name="SignalToNoise"> | |
7628 <param name="max_intensity" value="-1"/> | |
7629 <param name="auto_max_stdev_factor" value="3.0"/> | |
7630 <param name="auto_max_percentile" value="95"/> | |
7631 <param name="auto_mode" value="0"/> | |
7632 <param name="win_len" value="200.0"/> | |
7633 <param name="bin_count" value="30"/> | |
7634 <param name="min_required_elements" value="10"/> | |
7635 <param name="noise_for_empty_window" value="1e+20"/> | |
7636 <param name="write_log_messages" value="true"/> | |
7637 </section> | |
7638 </section> | |
7639 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7640 <output name="ctd_out" ftype="xml"> | |
7641 <assert_contents> | |
7642 <is_valid_xml/> | |
7643 </assert_contents> | |
7644 </output> | |
7645 </test> | |
7646 <test expect_num_outputs="2"> | |
7647 <conditional name="adv_opts_cond"> | |
7648 <param name="adv_opts_selector" value="advanced"/> | |
7649 <param name="force" value="false"/> | |
7650 <param name="test" value="true"/> | |
7651 </conditional> | |
7652 <param name="in" value="FileFilter_22_input.consensusXML"/> | |
7653 <output name="out" file="FileFilter_22_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
7654 <param name="out_type" value="consensusxml"/> | |
7655 <param name="rt" value=":"/> | |
7656 <param name="mz" value=":"/> | |
7657 <param name="int" value=":"/> | |
7658 <param name="sort" value="false"/> | |
7659 <section name="peak_options"> | |
7660 <param name="sn" value="0.0"/> | |
7661 <param name="rm_pc_charge" value=""/> | |
7662 <param name="pc_mz_range" value=":"/> | |
7663 <param name="pc_mz_list" value=""/> | |
7664 <param name="level" value="1 2 3"/> | |
7665 <param name="sort_peaks" value="false"/> | |
7666 <param name="no_chromatograms" value="false"/> | |
7667 <param name="remove_chromatograms" value="false"/> | |
7668 <param name="remove_empty" value="false"/> | |
7669 <param name="mz_precision" value="64"/> | |
7670 <param name="int_precision" value="32"/> | |
7671 <param name="indexed_file" value="true"/> | |
7672 <param name="zlib_compression" value="false"/> | |
7673 <section name="numpress"> | |
7674 <param name="masstime" value="none"/> | |
7675 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7676 <param name="intensity" value="none"/> | |
7677 <param name="float_da" value="none"/> | |
7678 </section> | |
7679 </section> | |
7680 <section name="spectra"> | |
7681 <param name="remove_zoom" value="false"/> | |
7682 <param name="remove_mode" value=""/> | |
7683 <param name="remove_activation" value=""/> | |
7684 <param name="remove_collision_energy" value=":"/> | |
7685 <param name="remove_isolation_window_width" value=":"/> | |
7686 <param name="select_zoom" value="false"/> | |
7687 <param name="select_mode" value=""/> | |
7688 <param name="select_activation" value=""/> | |
7689 <param name="select_collision_energy" value=":"/> | |
7690 <param name="select_isolation_window_width" value=":"/> | |
7691 <param name="select_polarity" value=""/> | |
7692 <section name="blackorwhitelist"> | |
7693 <param name="similarity_threshold" value="-1.0"/> | |
7694 <param name="rt" value="0.01"/> | |
7695 <param name="mz" value="0.01"/> | |
7696 <param name="use_ppm_tolerance" value="false"/> | |
7697 <param name="blacklist" value="true"/> | |
7698 </section> | |
7699 </section> | |
7700 <section name="feature"> | |
7701 <param name="q" value=":"/> | |
7702 </section> | |
7703 <section name="consensus"> | |
7704 <param name="map" value=""/> | |
7705 <param name="map_and" value="false"/> | |
7706 <section name="blackorwhitelist"> | |
7707 <param name="blacklist" value="true"/> | |
7708 <param name="maps" value=""/> | |
7709 <param name="rt" value="60.0"/> | |
7710 <param name="mz" value="0.01"/> | |
7711 <param name="use_ppm_tolerance" value="false"/> | |
7712 </section> | |
7713 </section> | |
7714 <section name="f_and_c"> | |
7715 <param name="charge" value=":"/> | |
7716 <param name="size" value=":"/> | |
7717 <param name="remove_meta" value=""distinct_charges_size" "gt" "2""/> | |
7718 </section> | |
7719 <section name="id"> | |
7720 <param name="remove_clashes" value="false"/> | |
7721 <param name="keep_best_score_id" value="false"/> | |
7722 <param name="sequences_whitelist" value=""/> | |
7723 <param name="sequence_comparison_method" value="substring"/> | |
7724 <param name="accessions_whitelist" value=""/> | |
7725 <param name="remove_annotated_features" value="false"/> | |
7726 <param name="remove_unannotated_features" value="false"/> | |
7727 <param name="remove_unassigned_ids" value="false"/> | |
7728 <param name="rt" value="0.1"/> | |
7729 <param name="mz" value="0.001"/> | |
7730 <param name="blacklist_imperfect" value="false"/> | |
7731 </section> | |
7732 <section name="algorithm"> | |
7733 <section name="SignalToNoise"> | |
7734 <param name="max_intensity" value="-1"/> | |
7735 <param name="auto_max_stdev_factor" value="3.0"/> | |
7736 <param name="auto_max_percentile" value="95"/> | |
7737 <param name="auto_mode" value="0"/> | |
7738 <param name="win_len" value="200.0"/> | |
7739 <param name="bin_count" value="30"/> | |
7740 <param name="min_required_elements" value="10"/> | |
7741 <param name="noise_for_empty_window" value="1e+20"/> | |
7742 <param name="write_log_messages" value="true"/> | |
7743 </section> | |
7744 </section> | |
7745 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7746 <output name="ctd_out" ftype="xml"> | |
7747 <assert_contents> | |
7748 <is_valid_xml/> | |
7749 </assert_contents> | |
7750 </output> | |
7751 </test> | |
7752 <test expect_num_outputs="2"> | |
7753 <conditional name="adv_opts_cond"> | |
7754 <param name="adv_opts_selector" value="advanced"/> | |
7755 <param name="force" value="false"/> | |
7756 <param name="test" value="true"/> | |
7757 </conditional> | |
7758 <param name="in" value="FileFilter_22_input.consensusXML"/> | |
7759 <output name="out" file="FileFilter_24_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
7760 <param name="out_type" value="consensusxml"/> | |
7761 <param name="rt" value=":"/> | |
7762 <param name="mz" value=":"/> | |
7763 <param name="int" value=":"/> | |
7764 <param name="sort" value="false"/> | |
7765 <section name="peak_options"> | |
7766 <param name="sn" value="0.0"/> | |
7767 <param name="rm_pc_charge" value=""/> | |
7768 <param name="pc_mz_range" value=":"/> | |
7769 <param name="pc_mz_list" value=""/> | |
7770 <param name="level" value="1 2 3"/> | |
7771 <param name="sort_peaks" value="false"/> | |
7772 <param name="no_chromatograms" value="false"/> | |
7773 <param name="remove_chromatograms" value="false"/> | |
7774 <param name="remove_empty" value="false"/> | |
7775 <param name="mz_precision" value="64"/> | |
7776 <param name="int_precision" value="32"/> | |
7777 <param name="indexed_file" value="true"/> | |
7778 <param name="zlib_compression" value="false"/> | |
7779 <section name="numpress"> | |
7780 <param name="masstime" value="none"/> | |
7781 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7782 <param name="intensity" value="none"/> | |
7783 <param name="float_da" value="none"/> | |
7784 </section> | |
7785 </section> | |
7786 <section name="spectra"> | |
7787 <param name="remove_zoom" value="false"/> | |
7788 <param name="remove_mode" value=""/> | |
7789 <param name="remove_activation" value=""/> | |
7790 <param name="remove_collision_energy" value=":"/> | |
7791 <param name="remove_isolation_window_width" value=":"/> | |
7792 <param name="select_zoom" value="false"/> | |
7793 <param name="select_mode" value=""/> | |
7794 <param name="select_activation" value=""/> | |
7795 <param name="select_collision_energy" value=":"/> | |
7796 <param name="select_isolation_window_width" value=":"/> | |
7797 <param name="select_polarity" value=""/> | |
7798 <section name="blackorwhitelist"> | |
7799 <param name="similarity_threshold" value="-1.0"/> | |
7800 <param name="rt" value="0.01"/> | |
7801 <param name="mz" value="0.01"/> | |
7802 <param name="use_ppm_tolerance" value="false"/> | |
7803 <param name="blacklist" value="true"/> | |
7804 </section> | |
7805 </section> | |
7806 <section name="feature"> | |
7807 <param name="q" value=":"/> | |
7808 </section> | |
7809 <section name="consensus"> | |
7810 <param name="map" value=""/> | |
7811 <param name="map_and" value="false"/> | |
7812 <section name="blackorwhitelist"> | |
7813 <param name="blacklist" value="true"/> | |
7814 <param name="maps" value=""/> | |
7815 <param name="rt" value="60.0"/> | |
7816 <param name="mz" value="0.01"/> | |
7817 <param name="use_ppm_tolerance" value="false"/> | |
7818 </section> | |
7819 </section> | |
7820 <section name="f_and_c"> | |
7821 <param name="charge" value=":"/> | |
7822 <param name="size" value=":"/> | |
7823 <param name="remove_meta" value=""DOESNOTEXIST" "lt" "whatever""/> | |
7824 </section> | |
7825 <section name="id"> | |
7826 <param name="remove_clashes" value="false"/> | |
7827 <param name="keep_best_score_id" value="false"/> | |
7828 <param name="sequences_whitelist" value=""/> | |
7829 <param name="sequence_comparison_method" value="substring"/> | |
7830 <param name="accessions_whitelist" value=""/> | |
7831 <param name="remove_annotated_features" value="false"/> | |
7832 <param name="remove_unannotated_features" value="false"/> | |
7833 <param name="remove_unassigned_ids" value="false"/> | |
7834 <param name="rt" value="0.1"/> | |
7835 <param name="mz" value="0.001"/> | |
7836 <param name="blacklist_imperfect" value="false"/> | |
7837 </section> | |
7838 <section name="algorithm"> | |
7839 <section name="SignalToNoise"> | |
7840 <param name="max_intensity" value="-1"/> | |
7841 <param name="auto_max_stdev_factor" value="3.0"/> | |
7842 <param name="auto_max_percentile" value="95"/> | |
7843 <param name="auto_mode" value="0"/> | |
7844 <param name="win_len" value="200.0"/> | |
7845 <param name="bin_count" value="30"/> | |
7846 <param name="min_required_elements" value="10"/> | |
7847 <param name="noise_for_empty_window" value="1e+20"/> | |
7848 <param name="write_log_messages" value="true"/> | |
7849 </section> | |
7850 </section> | |
7851 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7852 <output name="ctd_out" ftype="xml"> | |
7853 <assert_contents> | |
7854 <is_valid_xml/> | |
7855 </assert_contents> | |
7856 </output> | |
7857 </test> | |
7858 <test expect_num_outputs="2"> | |
7859 <conditional name="adv_opts_cond"> | |
7860 <param name="adv_opts_selector" value="advanced"/> | |
7861 <param name="force" value="false"/> | |
7862 <param name="test" value="true"/> | |
7863 </conditional> | |
7864 <param name="in" value="FileFilter_25_input.mzML.gz"/> | |
7865 <output name="out" file="FileFilter_25_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
7866 <param name="out_type" value="mzml"/> | |
7867 <param name="rt" value=":"/> | |
7868 <param name="mz" value=":"/> | |
7869 <param name="int" value=":"/> | |
7870 <param name="sort" value="false"/> | |
7871 <section name="peak_options"> | |
7872 <param name="sn" value="0.0"/> | |
7873 <param name="rm_pc_charge" value=""/> | |
7874 <param name="pc_mz_range" value=":"/> | |
7875 <param name="pc_mz_list" value=""/> | |
7876 <param name="level" value="1 2 3"/> | |
7877 <param name="sort_peaks" value="false"/> | |
7878 <param name="no_chromatograms" value="false"/> | |
7879 <param name="remove_chromatograms" value="false"/> | |
7880 <param name="remove_empty" value="false"/> | |
7881 <param name="mz_precision" value="64"/> | |
7882 <param name="int_precision" value="32"/> | |
7883 <param name="indexed_file" value="true"/> | |
7884 <param name="zlib_compression" value="false"/> | |
7885 <section name="numpress"> | |
7886 <param name="masstime" value="none"/> | |
7887 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7888 <param name="intensity" value="none"/> | |
7889 <param name="float_da" value="none"/> | |
7890 </section> | |
7891 </section> | |
7892 <section name="spectra"> | |
7893 <param name="remove_zoom" value="false"/> | |
7894 <param name="remove_mode" value=""/> | |
7895 <param name="remove_activation" value=""/> | |
7896 <param name="remove_collision_energy" value=":"/> | |
7897 <param name="remove_isolation_window_width" value=":"/> | |
7898 <param name="select_zoom" value="false"/> | |
7899 <param name="select_mode" value=""/> | |
7900 <param name="select_activation" value=""/> | |
7901 <param name="select_collision_energy" value=":"/> | |
7902 <param name="select_isolation_window_width" value=":"/> | |
7903 <param name="select_polarity" value=""/> | |
7904 <section name="blackorwhitelist"> | |
7905 <param name="similarity_threshold" value="-1.0"/> | |
7906 <param name="rt" value="0.01"/> | |
7907 <param name="mz" value="0.01"/> | |
7908 <param name="use_ppm_tolerance" value="false"/> | |
7909 <param name="blacklist" value="true"/> | |
7910 </section> | |
7911 </section> | |
7912 <section name="feature"> | |
7913 <param name="q" value=":"/> | |
7914 </section> | |
7915 <section name="consensus"> | |
7916 <param name="map" value=""/> | |
7917 <param name="map_and" value="false"/> | |
7918 <section name="blackorwhitelist"> | |
7919 <param name="blacklist" value="true"/> | |
7920 <param name="maps" value=""/> | |
7921 <param name="rt" value="60.0"/> | |
7922 <param name="mz" value="0.01"/> | |
7923 <param name="use_ppm_tolerance" value="false"/> | |
7924 </section> | |
7925 </section> | |
7926 <section name="f_and_c"> | |
7927 <param name="charge" value=":"/> | |
7928 <param name="size" value=":"/> | |
7929 <param name="remove_meta" value=""/> | |
7930 </section> | |
7931 <section name="id"> | |
7932 <param name="remove_clashes" value="false"/> | |
7933 <param name="keep_best_score_id" value="false"/> | |
7934 <param name="sequences_whitelist" value=""/> | |
7935 <param name="sequence_comparison_method" value="substring"/> | |
7936 <param name="accessions_whitelist" value=""/> | |
7937 <param name="remove_annotated_features" value="false"/> | |
7938 <param name="remove_unannotated_features" value="false"/> | |
7939 <param name="remove_unassigned_ids" value="false"/> | |
7940 <param name="blacklist" value="FileFilter_25_input.idXML"/> | |
7941 <param name="rt" value="1.0"/> | |
7942 <param name="mz" value="0.05"/> | |
7943 <param name="blacklist_imperfect" value="true"/> | |
7944 </section> | |
7945 <section name="algorithm"> | |
7946 <section name="SignalToNoise"> | |
7947 <param name="max_intensity" value="-1"/> | |
7948 <param name="auto_max_stdev_factor" value="3.0"/> | |
7949 <param name="auto_max_percentile" value="95"/> | |
7950 <param name="auto_mode" value="0"/> | |
7951 <param name="win_len" value="200.0"/> | |
7952 <param name="bin_count" value="30"/> | |
7953 <param name="min_required_elements" value="10"/> | |
7954 <param name="noise_for_empty_window" value="1e+20"/> | |
7955 <param name="write_log_messages" value="true"/> | |
7956 </section> | |
7957 </section> | |
7958 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7959 <output name="ctd_out" ftype="xml"> | |
7960 <assert_contents> | |
7961 <is_valid_xml/> | |
7962 </assert_contents> | |
7963 </output> | |
7964 </test> | |
7965 <test expect_num_outputs="2"> | |
7966 <conditional name="adv_opts_cond"> | |
7967 <param name="adv_opts_selector" value="advanced"/> | |
7968 <param name="force" value="false"/> | |
7969 <param name="test" value="true"/> | |
7970 </conditional> | |
7971 <param name="in" value="FileFilter_25_input.mzML.gz"/> | |
7972 <output name="out" file="FileFilter_25_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
7973 <param name="out_type" value="mzml"/> | |
7974 <param name="rt" value=":"/> | |
7975 <param name="mz" value=":"/> | |
7976 <param name="int" value=":"/> | |
7977 <param name="sort" value="false"/> | |
7978 <section name="peak_options"> | |
7979 <param name="sn" value="0.0"/> | |
7980 <param name="rm_pc_charge" value=""/> | |
7981 <param name="pc_mz_range" value=":"/> | |
7982 <param name="pc_mz_list" value=""/> | |
7983 <param name="level" value="1 2 3"/> | |
7984 <param name="sort_peaks" value="false"/> | |
7985 <param name="no_chromatograms" value="false"/> | |
7986 <param name="remove_chromatograms" value="false"/> | |
7987 <param name="remove_empty" value="false"/> | |
7988 <param name="mz_precision" value="64"/> | |
7989 <param name="int_precision" value="32"/> | |
7990 <param name="indexed_file" value="true"/> | |
7991 <param name="zlib_compression" value="false"/> | |
7992 <section name="numpress"> | |
7993 <param name="masstime" value="none"/> | |
7994 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7995 <param name="intensity" value="none"/> | |
7996 <param name="float_da" value="none"/> | |
7997 </section> | |
7998 </section> | |
7999 <section name="spectra"> | |
8000 <param name="remove_zoom" value="false"/> | |
8001 <param name="remove_mode" value=""/> | |
8002 <param name="remove_activation" value=""/> | |
8003 <param name="remove_collision_energy" value=":"/> | |
8004 <param name="remove_isolation_window_width" value=":"/> | |
8005 <param name="select_zoom" value="false"/> | |
8006 <param name="select_mode" value=""/> | |
8007 <param name="select_activation" value=""/> | |
8008 <param name="select_collision_energy" value=":"/> | |
8009 <param name="select_isolation_window_width" value=":"/> | |
8010 <param name="select_polarity" value=""/> | |
8011 <section name="blackorwhitelist"> | |
8012 <param name="similarity_threshold" value="-1.0"/> | |
8013 <param name="rt" value="0.01"/> | |
8014 <param name="mz" value="0.01"/> | |
8015 <param name="use_ppm_tolerance" value="false"/> | |
8016 <param name="blacklist" value="true"/> | |
8017 </section> | |
8018 </section> | |
8019 <section name="feature"> | |
8020 <param name="q" value=":"/> | |
8021 </section> | |
8022 <section name="consensus"> | |
8023 <param name="map" value=""/> | |
8024 <param name="map_and" value="false"/> | |
8025 <section name="blackorwhitelist"> | |
8026 <param name="blacklist" value="true"/> | |
8027 <param name="maps" value=""/> | |
8028 <param name="rt" value="60.0"/> | |
8029 <param name="mz" value="0.01"/> | |
8030 <param name="use_ppm_tolerance" value="false"/> | |
8031 </section> | |
8032 </section> | |
8033 <section name="f_and_c"> | |
8034 <param name="charge" value=":"/> | |
8035 <param name="size" value=":"/> | |
8036 <param name="remove_meta" value=""/> | |
8037 </section> | |
8038 <section name="id"> | |
8039 <param name="remove_clashes" value="false"/> | |
8040 <param name="keep_best_score_id" value="false"/> | |
8041 <param name="sequences_whitelist" value=""/> | |
8042 <param name="sequence_comparison_method" value="substring"/> | |
8043 <param name="accessions_whitelist" value=""/> | |
8044 <param name="remove_annotated_features" value="false"/> | |
8045 <param name="remove_unannotated_features" value="false"/> | |
8046 <param name="remove_unassigned_ids" value="false"/> | |
8047 <param name="blacklist" value="FileFilter_25_input.idXML"/> | |
8048 <param name="rt" value="0.1"/> | |
8049 <param name="mz" value="0.001"/> | |
8050 <param name="blacklist_imperfect" value="true"/> | |
8051 </section> | |
8052 <section name="algorithm"> | |
8053 <section name="SignalToNoise"> | |
8054 <param name="max_intensity" value="-1"/> | |
8055 <param name="auto_max_stdev_factor" value="3.0"/> | |
8056 <param name="auto_max_percentile" value="95"/> | |
8057 <param name="auto_mode" value="0"/> | |
8058 <param name="win_len" value="200.0"/> | |
8059 <param name="bin_count" value="30"/> | |
8060 <param name="min_required_elements" value="10"/> | |
8061 <param name="noise_for_empty_window" value="1e+20"/> | |
8062 <param name="write_log_messages" value="true"/> | |
8063 </section> | |
8064 </section> | |
8065 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8066 <output name="ctd_out" ftype="xml"> | |
8067 <assert_contents> | |
8068 <is_valid_xml/> | |
8069 </assert_contents> | |
8070 </output> | |
8071 </test> | |
8072 <test expect_num_outputs="2"> | |
8073 <conditional name="adv_opts_cond"> | |
8074 <param name="adv_opts_selector" value="advanced"/> | |
8075 <param name="force" value="false"/> | |
8076 <param name="test" value="true"/> | |
8077 </conditional> | |
8078 <param name="in" value="FileFilter_28_input.mzML.gz"/> | |
8079 <output name="out" file="FileFilter_28_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8080 <param name="out_type" value="mzml"/> | |
8081 <param name="rt" value=":"/> | |
8082 <param name="mz" value=":"/> | |
8083 <param name="int" value=":"/> | |
8084 <param name="sort" value="false"/> | |
8085 <section name="peak_options"> | |
8086 <param name="sn" value="0.0"/> | |
8087 <param name="rm_pc_charge" value=""/> | |
8088 <param name="pc_mz_range" value="832:836"/> | |
8089 <param name="pc_mz_list" value=""/> | |
8090 <param name="level" value="2"/> | |
8091 <param name="sort_peaks" value="false"/> | |
8092 <param name="no_chromatograms" value="false"/> | |
8093 <param name="remove_chromatograms" value="false"/> | |
8094 <param name="remove_empty" value="false"/> | |
8095 <param name="mz_precision" value="64"/> | |
8096 <param name="int_precision" value="32"/> | |
8097 <param name="indexed_file" value="true"/> | |
8098 <param name="zlib_compression" value="false"/> | |
8099 <section name="numpress"> | |
8100 <param name="masstime" value="none"/> | |
8101 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8102 <param name="intensity" value="none"/> | |
8103 <param name="float_da" value="none"/> | |
8104 </section> | |
8105 </section> | |
8106 <section name="spectra"> | |
8107 <param name="remove_zoom" value="false"/> | |
8108 <param name="remove_mode" value=""/> | |
8109 <param name="remove_activation" value=""/> | |
8110 <param name="remove_collision_energy" value=":"/> | |
8111 <param name="remove_isolation_window_width" value=":"/> | |
8112 <param name="select_zoom" value="false"/> | |
8113 <param name="select_mode" value=""/> | |
8114 <param name="select_activation" value=""/> | |
8115 <param name="select_collision_energy" value=":"/> | |
8116 <param name="select_isolation_window_width" value=":"/> | |
8117 <param name="select_polarity" value=""/> | |
8118 <section name="blackorwhitelist"> | |
8119 <param name="similarity_threshold" value="-1.0"/> | |
8120 <param name="rt" value="0.01"/> | |
8121 <param name="mz" value="0.01"/> | |
8122 <param name="use_ppm_tolerance" value="false"/> | |
8123 <param name="blacklist" value="true"/> | |
8124 </section> | |
8125 </section> | |
8126 <section name="feature"> | |
8127 <param name="q" value=":"/> | |
8128 </section> | |
8129 <section name="consensus"> | |
8130 <param name="map" value=""/> | |
8131 <param name="map_and" value="false"/> | |
8132 <section name="blackorwhitelist"> | |
8133 <param name="blacklist" value="true"/> | |
8134 <param name="maps" value=""/> | |
8135 <param name="rt" value="60.0"/> | |
8136 <param name="mz" value="0.01"/> | |
8137 <param name="use_ppm_tolerance" value="false"/> | |
8138 </section> | |
8139 </section> | |
8140 <section name="f_and_c"> | |
8141 <param name="charge" value=":"/> | |
8142 <param name="size" value=":"/> | |
8143 <param name="remove_meta" value=""/> | |
8144 </section> | |
8145 <section name="id"> | |
8146 <param name="remove_clashes" value="false"/> | |
8147 <param name="keep_best_score_id" value="false"/> | |
8148 <param name="sequences_whitelist" value=""/> | |
8149 <param name="sequence_comparison_method" value="substring"/> | |
8150 <param name="accessions_whitelist" value=""/> | |
8151 <param name="remove_annotated_features" value="false"/> | |
8152 <param name="remove_unannotated_features" value="false"/> | |
8153 <param name="remove_unassigned_ids" value="false"/> | |
8154 <param name="rt" value="0.1"/> | |
8155 <param name="mz" value="0.001"/> | |
8156 <param name="blacklist_imperfect" value="false"/> | |
8157 </section> | |
8158 <section name="algorithm"> | |
8159 <section name="SignalToNoise"> | |
8160 <param name="max_intensity" value="-1"/> | |
8161 <param name="auto_max_stdev_factor" value="3.0"/> | |
8162 <param name="auto_max_percentile" value="95"/> | |
8163 <param name="auto_mode" value="0"/> | |
8164 <param name="win_len" value="200.0"/> | |
8165 <param name="bin_count" value="30"/> | |
8166 <param name="min_required_elements" value="10"/> | |
8167 <param name="noise_for_empty_window" value="1e+20"/> | |
8168 <param name="write_log_messages" value="true"/> | |
8169 </section> | |
8170 </section> | |
8171 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8172 <output name="ctd_out" ftype="xml"> | |
8173 <assert_contents> | |
8174 <is_valid_xml/> | |
8175 </assert_contents> | |
8176 </output> | |
8177 </test> | |
8178 <test expect_num_outputs="2"> | |
8179 <conditional name="adv_opts_cond"> | |
8180 <param name="adv_opts_selector" value="advanced"/> | |
8181 <param name="force" value="false"/> | |
8182 <param name="test" value="true"/> | |
8183 </conditional> | |
8184 <param name="in" value="FileFilter_28_input.mzML.gz"/> | |
8185 <output name="out" file="FileFilter_29_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8186 <param name="out_type" value="mzml"/> | |
8187 <param name="rt" value=":"/> | |
8188 <param name="mz" value=":"/> | |
8189 <param name="int" value=":"/> | |
8190 <param name="sort" value="false"/> | |
8191 <section name="peak_options"> | |
8192 <param name="sn" value="0.0"/> | |
8193 <param name="rm_pc_charge" value=""/> | |
8194 <param name="pc_mz_range" value="832:836"/> | |
8195 <param name="pc_mz_list" value=""/> | |
8196 <param name="level" value="1 2"/> | |
8197 <param name="sort_peaks" value="false"/> | |
8198 <param name="no_chromatograms" value="false"/> | |
8199 <param name="remove_chromatograms" value="false"/> | |
8200 <param name="remove_empty" value="false"/> | |
8201 <param name="mz_precision" value="64"/> | |
8202 <param name="int_precision" value="32"/> | |
8203 <param name="indexed_file" value="true"/> | |
8204 <param name="zlib_compression" value="false"/> | |
8205 <section name="numpress"> | |
8206 <param name="masstime" value="none"/> | |
8207 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8208 <param name="intensity" value="none"/> | |
8209 <param name="float_da" value="none"/> | |
8210 </section> | |
8211 </section> | |
8212 <section name="spectra"> | |
8213 <param name="remove_zoom" value="false"/> | |
8214 <param name="remove_mode" value=""/> | |
8215 <param name="remove_activation" value=""/> | |
8216 <param name="remove_collision_energy" value=":"/> | |
8217 <param name="remove_isolation_window_width" value=":"/> | |
8218 <param name="select_zoom" value="false"/> | |
8219 <param name="select_mode" value=""/> | |
8220 <param name="select_activation" value=""/> | |
8221 <param name="select_collision_energy" value=":"/> | |
8222 <param name="select_isolation_window_width" value=":"/> | |
8223 <param name="select_polarity" value=""/> | |
8224 <section name="blackorwhitelist"> | |
8225 <param name="similarity_threshold" value="-1.0"/> | |
8226 <param name="rt" value="0.01"/> | |
8227 <param name="mz" value="0.01"/> | |
8228 <param name="use_ppm_tolerance" value="false"/> | |
8229 <param name="blacklist" value="true"/> | |
8230 </section> | |
8231 </section> | |
8232 <section name="feature"> | |
8233 <param name="q" value=":"/> | |
8234 </section> | |
8235 <section name="consensus"> | |
8236 <param name="map" value=""/> | |
8237 <param name="map_and" value="false"/> | |
8238 <section name="blackorwhitelist"> | |
8239 <param name="blacklist" value="true"/> | |
8240 <param name="maps" value=""/> | |
8241 <param name="rt" value="60.0"/> | |
8242 <param name="mz" value="0.01"/> | |
8243 <param name="use_ppm_tolerance" value="false"/> | |
8244 </section> | |
8245 </section> | |
8246 <section name="f_and_c"> | |
8247 <param name="charge" value=":"/> | |
8248 <param name="size" value=":"/> | |
8249 <param name="remove_meta" value=""/> | |
8250 </section> | |
8251 <section name="id"> | |
8252 <param name="remove_clashes" value="false"/> | |
8253 <param name="keep_best_score_id" value="false"/> | |
8254 <param name="sequences_whitelist" value=""/> | |
8255 <param name="sequence_comparison_method" value="substring"/> | |
8256 <param name="accessions_whitelist" value=""/> | |
8257 <param name="remove_annotated_features" value="false"/> | |
8258 <param name="remove_unannotated_features" value="false"/> | |
8259 <param name="remove_unassigned_ids" value="false"/> | |
8260 <param name="rt" value="0.1"/> | |
8261 <param name="mz" value="0.001"/> | |
8262 <param name="blacklist_imperfect" value="false"/> | |
8263 </section> | |
8264 <section name="algorithm"> | |
8265 <section name="SignalToNoise"> | |
8266 <param name="max_intensity" value="-1"/> | |
8267 <param name="auto_max_stdev_factor" value="3.0"/> | |
8268 <param name="auto_max_percentile" value="95"/> | |
8269 <param name="auto_mode" value="0"/> | |
8270 <param name="win_len" value="200.0"/> | |
8271 <param name="bin_count" value="30"/> | |
8272 <param name="min_required_elements" value="10"/> | |
8273 <param name="noise_for_empty_window" value="1e+20"/> | |
8274 <param name="write_log_messages" value="true"/> | |
8275 </section> | |
8276 </section> | |
8277 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8278 <output name="ctd_out" ftype="xml"> | |
8279 <assert_contents> | |
8280 <is_valid_xml/> | |
8281 </assert_contents> | |
8282 </output> | |
8283 </test> | |
8284 <test expect_num_outputs="2"> | |
8285 <conditional name="adv_opts_cond"> | |
8286 <param name="adv_opts_selector" value="advanced"/> | |
8287 <param name="force" value="false"/> | |
8288 <param name="test" value="true"/> | |
8289 </conditional> | |
8290 <param name="in" value="FileFilter_28_input.mzML.gz"/> | |
8291 <output name="out" file="FileFilter_30_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8292 <param name="out_type" value="mzml"/> | |
8293 <param name="rt" value=":"/> | |
8294 <param name="mz" value=":"/> | |
8295 <param name="int" value=":"/> | |
8296 <param name="sort" value="false"/> | |
8297 <section name="peak_options"> | |
8298 <param name="sn" value="0.0"/> | |
8299 <param name="rm_pc_charge" value=""/> | |
8300 <param name="pc_mz_range" value="832:836"/> | |
8301 <param name="pc_mz_list" value=""/> | |
8302 <param name="level" value="1 2"/> | |
8303 <param name="sort_peaks" value="false"/> | |
8304 <param name="no_chromatograms" value="false"/> | |
8305 <param name="remove_chromatograms" value="false"/> | |
8306 <param name="remove_empty" value="false"/> | |
8307 <param name="mz_precision" value="64"/> | |
8308 <param name="int_precision" value="32"/> | |
8309 <param name="indexed_file" value="true"/> | |
8310 <param name="zlib_compression" value="false"/> | |
8311 <section name="numpress"> | |
8312 <param name="masstime" value="none"/> | |
8313 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8314 <param name="intensity" value="none"/> | |
8315 <param name="float_da" value="none"/> | |
8316 </section> | |
8317 </section> | |
8318 <section name="spectra"> | |
8319 <param name="remove_zoom" value="false"/> | |
8320 <param name="remove_mode" value=""/> | |
8321 <param name="remove_activation" value=""/> | |
8322 <param name="remove_collision_energy" value=":"/> | |
8323 <param name="remove_isolation_window_width" value=":"/> | |
8324 <param name="select_zoom" value="false"/> | |
8325 <param name="select_mode" value=""/> | |
8326 <param name="select_activation" value=""/> | |
8327 <param name="select_collision_energy" value=":"/> | |
8328 <param name="select_isolation_window_width" value=":"/> | |
8329 <param name="select_polarity" value=""/> | |
8330 <section name="blackorwhitelist"> | |
8331 <param name="similarity_threshold" value="-1.0"/> | |
8332 <param name="rt" value="0.01"/> | |
8333 <param name="mz" value="0.01"/> | |
8334 <param name="use_ppm_tolerance" value="false"/> | |
8335 <param name="blacklist" value="true"/> | |
8336 </section> | |
8337 </section> | |
8338 <section name="feature"> | |
8339 <param name="q" value=":"/> | |
8340 </section> | |
8341 <section name="consensus"> | |
8342 <param name="map" value=""/> | |
8343 <param name="map_and" value="false"/> | |
8344 <section name="blackorwhitelist"> | |
8345 <param name="blacklist" value="true"/> | |
8346 <param name="maps" value=""/> | |
8347 <param name="rt" value="60.0"/> | |
8348 <param name="mz" value="0.01"/> | |
8349 <param name="use_ppm_tolerance" value="false"/> | |
8350 </section> | |
8351 </section> | |
8352 <section name="f_and_c"> | |
8353 <param name="charge" value=":"/> | |
8354 <param name="size" value=":"/> | |
8355 <param name="remove_meta" value=""/> | |
8356 </section> | |
8357 <section name="id"> | |
8358 <param name="remove_clashes" value="false"/> | |
8359 <param name="keep_best_score_id" value="false"/> | |
8360 <param name="sequences_whitelist" value=""/> | |
8361 <param name="sequence_comparison_method" value="substring"/> | |
8362 <param name="accessions_whitelist" value=""/> | |
8363 <param name="remove_annotated_features" value="false"/> | |
8364 <param name="remove_unannotated_features" value="false"/> | |
8365 <param name="remove_unassigned_ids" value="false"/> | |
8366 <param name="rt" value="0.1"/> | |
8367 <param name="mz" value="0.001"/> | |
8368 <param name="blacklist_imperfect" value="false"/> | |
8369 </section> | |
8370 <section name="algorithm"> | |
8371 <section name="SignalToNoise"> | |
8372 <param name="max_intensity" value="-1"/> | |
8373 <param name="auto_max_stdev_factor" value="3.0"/> | |
8374 <param name="auto_max_percentile" value="95"/> | |
8375 <param name="auto_mode" value="0"/> | |
8376 <param name="win_len" value="200.0"/> | |
8377 <param name="bin_count" value="30"/> | |
8378 <param name="min_required_elements" value="10"/> | |
8379 <param name="noise_for_empty_window" value="1e+20"/> | |
8380 <param name="write_log_messages" value="true"/> | |
8381 </section> | |
8382 </section> | |
8383 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8384 <output name="ctd_out" ftype="xml"> | |
8385 <assert_contents> | |
8386 <is_valid_xml/> | |
8387 </assert_contents> | |
8388 </output> | |
8389 </test> | |
8390 <test expect_num_outputs="2"> | |
8391 <conditional name="adv_opts_cond"> | |
8392 <param name="adv_opts_selector" value="advanced"/> | |
8393 <param name="force" value="false"/> | |
8394 <param name="test" value="true"/> | |
8395 </conditional> | |
8396 <param name="in" value="FileFilter_31_34_input.mzML"/> | |
8397 <output name="out" file="FileFilter_31_remove_collision_energy.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8398 <param name="out_type" value="mzml"/> | |
8399 <param name="rt" value=":"/> | |
8400 <param name="mz" value=":"/> | |
8401 <param name="int" value=":"/> | |
8402 <param name="sort" value="false"/> | |
8403 <section name="peak_options"> | |
8404 <param name="sn" value="0.0"/> | |
8405 <param name="rm_pc_charge" value=""/> | |
8406 <param name="pc_mz_range" value=":"/> | |
8407 <param name="pc_mz_list" value=""/> | |
8408 <param name="level" value="1 2 3"/> | |
8409 <param name="sort_peaks" value="false"/> | |
8410 <param name="no_chromatograms" value="false"/> | |
8411 <param name="remove_chromatograms" value="false"/> | |
8412 <param name="remove_empty" value="false"/> | |
8413 <param name="mz_precision" value="64"/> | |
8414 <param name="int_precision" value="32"/> | |
8415 <param name="indexed_file" value="true"/> | |
8416 <param name="zlib_compression" value="false"/> | |
8417 <section name="numpress"> | |
8418 <param name="masstime" value="none"/> | |
8419 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8420 <param name="intensity" value="none"/> | |
8421 <param name="float_da" value="none"/> | |
8422 </section> | |
8423 </section> | |
8424 <section name="spectra"> | |
8425 <param name="remove_zoom" value="false"/> | |
8426 <param name="remove_mode" value=""/> | |
8427 <param name="remove_activation" value=""/> | |
8428 <param name="remove_collision_energy" value=":"/> | |
8429 <param name="remove_isolation_window_width" value=":2"/> | |
8430 <param name="select_zoom" value="false"/> | |
8431 <param name="select_mode" value=""/> | |
8432 <param name="select_activation" value=""/> | |
8433 <param name="select_collision_energy" value=":"/> | |
8434 <param name="select_isolation_window_width" value=":"/> | |
8435 <param name="select_polarity" value=""/> | |
8436 <section name="blackorwhitelist"> | |
8437 <param name="similarity_threshold" value="-1.0"/> | |
8438 <param name="rt" value="0.01"/> | |
8439 <param name="mz" value="0.01"/> | |
8440 <param name="use_ppm_tolerance" value="false"/> | |
8441 <param name="blacklist" value="true"/> | |
8442 </section> | |
8443 </section> | |
8444 <section name="feature"> | |
8445 <param name="q" value=":"/> | |
8446 </section> | |
8447 <section name="consensus"> | |
8448 <param name="map" value=""/> | |
8449 <param name="map_and" value="false"/> | |
8450 <section name="blackorwhitelist"> | |
8451 <param name="blacklist" value="true"/> | |
8452 <param name="maps" value=""/> | |
8453 <param name="rt" value="60.0"/> | |
8454 <param name="mz" value="0.01"/> | |
8455 <param name="use_ppm_tolerance" value="false"/> | |
8456 </section> | |
8457 </section> | |
8458 <section name="f_and_c"> | |
8459 <param name="charge" value=":"/> | |
8460 <param name="size" value=":"/> | |
8461 <param name="remove_meta" value=""/> | |
8462 </section> | |
8463 <section name="id"> | |
8464 <param name="remove_clashes" value="false"/> | |
8465 <param name="keep_best_score_id" value="false"/> | |
8466 <param name="sequences_whitelist" value=""/> | |
8467 <param name="sequence_comparison_method" value="substring"/> | |
8468 <param name="accessions_whitelist" value=""/> | |
8469 <param name="remove_annotated_features" value="false"/> | |
8470 <param name="remove_unannotated_features" value="false"/> | |
8471 <param name="remove_unassigned_ids" value="false"/> | |
8472 <param name="rt" value="0.1"/> | |
8473 <param name="mz" value="0.001"/> | |
8474 <param name="blacklist_imperfect" value="false"/> | |
8475 </section> | |
8476 <section name="algorithm"> | |
8477 <section name="SignalToNoise"> | |
8478 <param name="max_intensity" value="-1"/> | |
8479 <param name="auto_max_stdev_factor" value="3.0"/> | |
8480 <param name="auto_max_percentile" value="95"/> | |
8481 <param name="auto_mode" value="0"/> | |
8482 <param name="win_len" value="200.0"/> | |
8483 <param name="bin_count" value="30"/> | |
8484 <param name="min_required_elements" value="10"/> | |
8485 <param name="noise_for_empty_window" value="1e+20"/> | |
8486 <param name="write_log_messages" value="true"/> | |
8487 </section> | |
8488 </section> | |
8489 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8490 <output name="ctd_out" ftype="xml"> | |
8491 <assert_contents> | |
8492 <is_valid_xml/> | |
8493 </assert_contents> | |
8494 </output> | |
8495 </test> | |
8496 <test expect_num_outputs="2"> | |
8497 <conditional name="adv_opts_cond"> | |
8498 <param name="adv_opts_selector" value="advanced"/> | |
8499 <param name="force" value="false"/> | |
8500 <param name="test" value="true"/> | |
8501 </conditional> | |
8502 <param name="in" value="FileFilter_31_34_input.mzML"/> | |
8503 <output name="out" file="FileFilter_32_select_collision_energy.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8504 <param name="out_type" value="mzml"/> | |
8505 <param name="rt" value=":"/> | |
8506 <param name="mz" value=":"/> | |
8507 <param name="int" value=":"/> | |
8508 <param name="sort" value="false"/> | |
8509 <section name="peak_options"> | |
8510 <param name="sn" value="0.0"/> | |
8511 <param name="rm_pc_charge" value=""/> | |
8512 <param name="pc_mz_range" value=":"/> | |
8513 <param name="pc_mz_list" value=""/> | |
8514 <param name="level" value="1 2 3"/> | |
8515 <param name="sort_peaks" value="false"/> | |
8516 <param name="no_chromatograms" value="false"/> | |
8517 <param name="remove_chromatograms" value="false"/> | |
8518 <param name="remove_empty" value="false"/> | |
8519 <param name="mz_precision" value="64"/> | |
8520 <param name="int_precision" value="32"/> | |
8521 <param name="indexed_file" value="true"/> | |
8522 <param name="zlib_compression" value="false"/> | |
8523 <section name="numpress"> | |
8524 <param name="masstime" value="none"/> | |
8525 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8526 <param name="intensity" value="none"/> | |
8527 <param name="float_da" value="none"/> | |
8528 </section> | |
8529 </section> | |
8530 <section name="spectra"> | |
8531 <param name="remove_zoom" value="false"/> | |
8532 <param name="remove_mode" value=""/> | |
8533 <param name="remove_activation" value=""/> | |
8534 <param name="remove_collision_energy" value=":"/> | |
8535 <param name="remove_isolation_window_width" value=":"/> | |
8536 <param name="select_zoom" value="false"/> | |
8537 <param name="select_mode" value=""/> | |
8538 <param name="select_activation" value=""/> | |
8539 <param name="select_collision_energy" value=":"/> | |
8540 <param name="select_isolation_window_width" value=":2"/> | |
8541 <param name="select_polarity" value=""/> | |
8542 <section name="blackorwhitelist"> | |
8543 <param name="similarity_threshold" value="-1.0"/> | |
8544 <param name="rt" value="0.01"/> | |
8545 <param name="mz" value="0.01"/> | |
8546 <param name="use_ppm_tolerance" value="false"/> | |
8547 <param name="blacklist" value="true"/> | |
8548 </section> | |
8549 </section> | |
8550 <section name="feature"> | |
8551 <param name="q" value=":"/> | |
8552 </section> | |
8553 <section name="consensus"> | |
8554 <param name="map" value=""/> | |
8555 <param name="map_and" value="false"/> | |
8556 <section name="blackorwhitelist"> | |
8557 <param name="blacklist" value="true"/> | |
8558 <param name="maps" value=""/> | |
8559 <param name="rt" value="60.0"/> | |
8560 <param name="mz" value="0.01"/> | |
8561 <param name="use_ppm_tolerance" value="false"/> | |
8562 </section> | |
8563 </section> | |
8564 <section name="f_and_c"> | |
8565 <param name="charge" value=":"/> | |
8566 <param name="size" value=":"/> | |
8567 <param name="remove_meta" value=""/> | |
8568 </section> | |
8569 <section name="id"> | |
8570 <param name="remove_clashes" value="false"/> | |
8571 <param name="keep_best_score_id" value="false"/> | |
8572 <param name="sequences_whitelist" value=""/> | |
8573 <param name="sequence_comparison_method" value="substring"/> | |
8574 <param name="accessions_whitelist" value=""/> | |
8575 <param name="remove_annotated_features" value="false"/> | |
8576 <param name="remove_unannotated_features" value="false"/> | |
8577 <param name="remove_unassigned_ids" value="false"/> | |
8578 <param name="rt" value="0.1"/> | |
8579 <param name="mz" value="0.001"/> | |
8580 <param name="blacklist_imperfect" value="false"/> | |
8581 </section> | |
8582 <section name="algorithm"> | |
8583 <section name="SignalToNoise"> | |
8584 <param name="max_intensity" value="-1"/> | |
8585 <param name="auto_max_stdev_factor" value="3.0"/> | |
8586 <param name="auto_max_percentile" value="95"/> | |
8587 <param name="auto_mode" value="0"/> | |
8588 <param name="win_len" value="200.0"/> | |
8589 <param name="bin_count" value="30"/> | |
8590 <param name="min_required_elements" value="10"/> | |
8591 <param name="noise_for_empty_window" value="1e+20"/> | |
8592 <param name="write_log_messages" value="true"/> | |
8593 </section> | |
8594 </section> | |
8595 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8596 <output name="ctd_out" ftype="xml"> | |
8597 <assert_contents> | |
8598 <is_valid_xml/> | |
8599 </assert_contents> | |
8600 </output> | |
8601 </test> | |
8602 <test expect_num_outputs="2"> | |
8603 <conditional name="adv_opts_cond"> | |
8604 <param name="adv_opts_selector" value="advanced"/> | |
8605 <param name="force" value="false"/> | |
8606 <param name="test" value="true"/> | |
8607 </conditional> | |
8608 <param name="in" value="FileFilter_31_34_input.mzML"/> | |
8609 <output name="out" file="FileFilter_33_remove_isolation_window.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8610 <param name="out_type" value="mzml"/> | |
8611 <param name="rt" value=":"/> | |
8612 <param name="mz" value=":"/> | |
8613 <param name="int" value=":"/> | |
8614 <param name="sort" value="false"/> | |
8615 <section name="peak_options"> | |
8616 <param name="sn" value="0.0"/> | |
8617 <param name="rm_pc_charge" value=""/> | |
8618 <param name="pc_mz_range" value=":"/> | |
8619 <param name="pc_mz_list" value=""/> | |
8620 <param name="level" value="1 2 3"/> | |
8621 <param name="sort_peaks" value="false"/> | |
8622 <param name="no_chromatograms" value="false"/> | |
8623 <param name="remove_chromatograms" value="false"/> | |
8624 <param name="remove_empty" value="false"/> | |
8625 <param name="mz_precision" value="64"/> | |
8626 <param name="int_precision" value="32"/> | |
8627 <param name="indexed_file" value="true"/> | |
8628 <param name="zlib_compression" value="false"/> | |
8629 <section name="numpress"> | |
8630 <param name="masstime" value="none"/> | |
8631 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8632 <param name="intensity" value="none"/> | |
8633 <param name="float_da" value="none"/> | |
8634 </section> | |
8635 </section> | |
8636 <section name="spectra"> | |
8637 <param name="remove_zoom" value="false"/> | |
8638 <param name="remove_mode" value=""/> | |
8639 <param name="remove_activation" value=""/> | |
8640 <param name="remove_collision_energy" value=":35"/> | |
8641 <param name="remove_isolation_window_width" value=":"/> | |
8642 <param name="select_zoom" value="false"/> | |
8643 <param name="select_mode" value=""/> | |
8644 <param name="select_activation" value=""/> | |
8645 <param name="select_collision_energy" value=":"/> | |
8646 <param name="select_isolation_window_width" value=":"/> | |
8647 <param name="select_polarity" value=""/> | |
8648 <section name="blackorwhitelist"> | |
8649 <param name="similarity_threshold" value="-1.0"/> | |
8650 <param name="rt" value="0.01"/> | |
8651 <param name="mz" value="0.01"/> | |
8652 <param name="use_ppm_tolerance" value="false"/> | |
8653 <param name="blacklist" value="true"/> | |
8654 </section> | |
8655 </section> | |
8656 <section name="feature"> | |
8657 <param name="q" value=":"/> | |
8658 </section> | |
8659 <section name="consensus"> | |
8660 <param name="map" value=""/> | |
8661 <param name="map_and" value="false"/> | |
8662 <section name="blackorwhitelist"> | |
8663 <param name="blacklist" value="true"/> | |
8664 <param name="maps" value=""/> | |
8665 <param name="rt" value="60.0"/> | |
8666 <param name="mz" value="0.01"/> | |
8667 <param name="use_ppm_tolerance" value="false"/> | |
8668 </section> | |
8669 </section> | |
8670 <section name="f_and_c"> | |
8671 <param name="charge" value=":"/> | |
8672 <param name="size" value=":"/> | |
8673 <param name="remove_meta" value=""/> | |
8674 </section> | |
8675 <section name="id"> | |
8676 <param name="remove_clashes" value="false"/> | |
8677 <param name="keep_best_score_id" value="false"/> | |
8678 <param name="sequences_whitelist" value=""/> | |
8679 <param name="sequence_comparison_method" value="substring"/> | |
8680 <param name="accessions_whitelist" value=""/> | |
8681 <param name="remove_annotated_features" value="false"/> | |
8682 <param name="remove_unannotated_features" value="false"/> | |
8683 <param name="remove_unassigned_ids" value="false"/> | |
8684 <param name="rt" value="0.1"/> | |
8685 <param name="mz" value="0.001"/> | |
8686 <param name="blacklist_imperfect" value="false"/> | |
8687 </section> | |
8688 <section name="algorithm"> | |
8689 <section name="SignalToNoise"> | |
8690 <param name="max_intensity" value="-1"/> | |
8691 <param name="auto_max_stdev_factor" value="3.0"/> | |
8692 <param name="auto_max_percentile" value="95"/> | |
8693 <param name="auto_mode" value="0"/> | |
8694 <param name="win_len" value="200.0"/> | |
8695 <param name="bin_count" value="30"/> | |
8696 <param name="min_required_elements" value="10"/> | |
8697 <param name="noise_for_empty_window" value="1e+20"/> | |
8698 <param name="write_log_messages" value="true"/> | |
8699 </section> | |
8700 </section> | |
8701 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8702 <output name="ctd_out" ftype="xml"> | |
8703 <assert_contents> | |
8704 <is_valid_xml/> | |
8705 </assert_contents> | |
8706 </output> | |
8707 </test> | |
8708 <test expect_num_outputs="2"> | |
8709 <conditional name="adv_opts_cond"> | |
8710 <param name="adv_opts_selector" value="advanced"/> | |
8711 <param name="force" value="false"/> | |
8712 <param name="test" value="true"/> | |
8713 </conditional> | |
8714 <param name="in" value="FileFilter_31_34_input.mzML"/> | |
8715 <output name="out" file="FileFilter_34_select_isolation_window.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8716 <param name="out_type" value="mzml"/> | |
8717 <param name="rt" value=":"/> | |
8718 <param name="mz" value=":"/> | |
8719 <param name="int" value=":"/> | |
8720 <param name="sort" value="false"/> | |
8721 <section name="peak_options"> | |
8722 <param name="sn" value="0.0"/> | |
8723 <param name="rm_pc_charge" value=""/> | |
8724 <param name="pc_mz_range" value=":"/> | |
8725 <param name="pc_mz_list" value=""/> | |
8726 <param name="level" value="1 2 3"/> | |
8727 <param name="sort_peaks" value="false"/> | |
8728 <param name="no_chromatograms" value="false"/> | |
8729 <param name="remove_chromatograms" value="false"/> | |
8730 <param name="remove_empty" value="false"/> | |
8731 <param name="mz_precision" value="64"/> | |
8732 <param name="int_precision" value="32"/> | |
8733 <param name="indexed_file" value="true"/> | |
8734 <param name="zlib_compression" value="false"/> | |
8735 <section name="numpress"> | |
8736 <param name="masstime" value="none"/> | |
8737 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8738 <param name="intensity" value="none"/> | |
8739 <param name="float_da" value="none"/> | |
8740 </section> | |
8741 </section> | |
8742 <section name="spectra"> | |
8743 <param name="remove_zoom" value="false"/> | |
8744 <param name="remove_mode" value=""/> | |
8745 <param name="remove_activation" value=""/> | |
8746 <param name="remove_collision_energy" value=":"/> | |
8747 <param name="remove_isolation_window_width" value=":"/> | |
8748 <param name="select_zoom" value="false"/> | |
8749 <param name="select_mode" value=""/> | |
8750 <param name="select_activation" value=""/> | |
8751 <param name="select_collision_energy" value=":35"/> | |
8752 <param name="select_isolation_window_width" value=":"/> | |
8753 <param name="select_polarity" value=""/> | |
8754 <section name="blackorwhitelist"> | |
8755 <param name="similarity_threshold" value="-1.0"/> | |
8756 <param name="rt" value="0.01"/> | |
8757 <param name="mz" value="0.01"/> | |
8758 <param name="use_ppm_tolerance" value="false"/> | |
8759 <param name="blacklist" value="true"/> | |
8760 </section> | |
8761 </section> | |
8762 <section name="feature"> | |
8763 <param name="q" value=":"/> | |
8764 </section> | |
8765 <section name="consensus"> | |
8766 <param name="map" value=""/> | |
8767 <param name="map_and" value="false"/> | |
8768 <section name="blackorwhitelist"> | |
8769 <param name="blacklist" value="true"/> | |
8770 <param name="maps" value=""/> | |
8771 <param name="rt" value="60.0"/> | |
8772 <param name="mz" value="0.01"/> | |
8773 <param name="use_ppm_tolerance" value="false"/> | |
8774 </section> | |
8775 </section> | |
8776 <section name="f_and_c"> | |
8777 <param name="charge" value=":"/> | |
8778 <param name="size" value=":"/> | |
8779 <param name="remove_meta" value=""/> | |
8780 </section> | |
8781 <section name="id"> | |
8782 <param name="remove_clashes" value="false"/> | |
8783 <param name="keep_best_score_id" value="false"/> | |
8784 <param name="sequences_whitelist" value=""/> | |
8785 <param name="sequence_comparison_method" value="substring"/> | |
8786 <param name="accessions_whitelist" value=""/> | |
8787 <param name="remove_annotated_features" value="false"/> | |
8788 <param name="remove_unannotated_features" value="false"/> | |
8789 <param name="remove_unassigned_ids" value="false"/> | |
8790 <param name="rt" value="0.1"/> | |
8791 <param name="mz" value="0.001"/> | |
8792 <param name="blacklist_imperfect" value="false"/> | |
8793 </section> | |
8794 <section name="algorithm"> | |
8795 <section name="SignalToNoise"> | |
8796 <param name="max_intensity" value="-1"/> | |
8797 <param name="auto_max_stdev_factor" value="3.0"/> | |
8798 <param name="auto_max_percentile" value="95"/> | |
8799 <param name="auto_mode" value="0"/> | |
8800 <param name="win_len" value="200.0"/> | |
8801 <param name="bin_count" value="30"/> | |
8802 <param name="min_required_elements" value="10"/> | |
8803 <param name="noise_for_empty_window" value="1e+20"/> | |
8804 <param name="write_log_messages" value="true"/> | |
8805 </section> | |
8806 </section> | |
8807 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8808 <output name="ctd_out" ftype="xml"> | |
8809 <assert_contents> | |
8810 <is_valid_xml/> | |
8811 </assert_contents> | |
8812 </output> | |
8813 </test> | |
8814 <test expect_num_outputs="2"> | |
8815 <conditional name="adv_opts_cond"> | |
8816 <param name="adv_opts_selector" value="advanced"/> | |
8817 <param name="force" value="false"/> | |
8818 <param name="test" value="true"/> | |
8819 </conditional> | |
8820 <param name="in" value="FileFilter_1_input.mzML"/> | |
8821 <output name="out" file="FileFilter_35_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8822 <param name="out_type" value="mzML"/> | |
8823 <param name="rt" value=":"/> | |
8824 <param name="mz" value=":"/> | |
8825 <param name="int" value=":"/> | |
8826 <param name="sort" value="false"/> | |
8827 <section name="peak_options"> | |
8828 <param name="sn" value="0.0"/> | |
8829 <param name="rm_pc_charge" value=""/> | |
8830 <param name="pc_mz_range" value=":"/> | |
8831 <param name="pc_mz_list" value=""/> | |
8832 <param name="level" value="1 2 3"/> | |
8833 <param name="sort_peaks" value="false"/> | |
8834 <param name="no_chromatograms" value="false"/> | |
8835 <param name="remove_chromatograms" value="false"/> | |
8836 <param name="remove_empty" value="false"/> | |
8837 <param name="mz_precision" value="64"/> | |
8838 <param name="int_precision" value="32"/> | |
8839 <param name="indexed_file" value="true"/> | |
8840 <param name="zlib_compression" value="false"/> | |
8841 <section name="numpress"> | |
8842 <param name="masstime" value="none"/> | |
8843 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8844 <param name="intensity" value="none"/> | |
8845 <param name="float_da" value="none"/> | |
8846 </section> | |
8847 </section> | |
8848 <section name="spectra"> | |
8849 <param name="remove_zoom" value="false"/> | |
8850 <param name="remove_mode" value=""/> | |
8851 <param name="remove_activation" value=""/> | |
8852 <param name="remove_collision_energy" value=":"/> | |
8853 <param name="remove_isolation_window_width" value=":"/> | |
8854 <param name="select_zoom" value="false"/> | |
8855 <param name="select_mode" value=""/> | |
8856 <param name="select_activation" value=""/> | |
8857 <param name="select_collision_energy" value=":"/> | |
8858 <param name="select_isolation_window_width" value=":"/> | |
8859 <param name="select_polarity" value=""/> | |
8860 <section name="blackorwhitelist"> | |
8861 <param name="similarity_threshold" value="-1.0"/> | |
8862 <param name="rt" value="0.01"/> | |
8863 <param name="mz" value="0.01"/> | |
8864 <param name="use_ppm_tolerance" value="false"/> | |
8865 <param name="blacklist" value="true"/> | |
8866 </section> | |
8867 </section> | |
8868 <section name="feature"> | |
8869 <param name="q" value=":"/> | |
8870 </section> | |
8871 <section name="consensus"> | |
8872 <param name="map" value=""/> | |
8873 <param name="map_and" value="false"/> | |
8874 <section name="blackorwhitelist"> | |
8875 <param name="blacklist" value="true"/> | |
8876 <param name="maps" value=""/> | |
8877 <param name="rt" value="60.0"/> | |
8878 <param name="mz" value="0.01"/> | |
8879 <param name="use_ppm_tolerance" value="false"/> | |
8880 </section> | |
8881 </section> | |
8882 <section name="f_and_c"> | |
8883 <param name="charge" value=":"/> | |
8884 <param name="size" value=":"/> | |
8885 <param name="remove_meta" value=""/> | |
8886 </section> | |
8887 <section name="id"> | |
8888 <param name="remove_clashes" value="false"/> | |
8889 <param name="keep_best_score_id" value="false"/> | |
8890 <param name="sequences_whitelist" value=""/> | |
8891 <param name="sequence_comparison_method" value="substring"/> | |
8892 <param name="accessions_whitelist" value=""/> | |
8893 <param name="remove_annotated_features" value="false"/> | |
8894 <param name="remove_unannotated_features" value="false"/> | |
8895 <param name="remove_unassigned_ids" value="false"/> | |
8896 <param name="rt" value="0.1"/> | |
8897 <param name="mz" value="0.001"/> | |
8898 <param name="blacklist_imperfect" value="false"/> | |
8899 </section> | |
8900 <section name="algorithm"> | |
8901 <section name="SignalToNoise"> | |
8902 <param name="max_intensity" value="-1"/> | |
8903 <param name="auto_max_stdev_factor" value="3.0"/> | |
8904 <param name="auto_max_percentile" value="95"/> | |
8905 <param name="auto_mode" value="0"/> | |
8906 <param name="win_len" value="200.0"/> | |
8907 <param name="bin_count" value="30"/> | |
8908 <param name="min_required_elements" value="10"/> | |
8909 <param name="noise_for_empty_window" value="1e+20"/> | |
8910 <param name="write_log_messages" value="true"/> | |
8911 </section> | |
8912 </section> | |
8913 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8914 <output name="ctd_out" ftype="xml"> | |
8915 <assert_contents> | |
8916 <is_valid_xml/> | |
8917 </assert_contents> | |
8918 </output> | |
8919 </test> | |
8920 <test expect_num_outputs="2"> | |
8921 <conditional name="adv_opts_cond"> | |
8922 <param name="adv_opts_selector" value="advanced"/> | |
8923 <param name="force" value="false"/> | |
8924 <param name="test" value="true"/> | |
8925 </conditional> | |
8926 <param name="in" value="FileFilter_1_input.mzML"/> | |
8927 <output name="out" file="FileFilter_36_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8928 <param name="out_type" value="mzML"/> | |
8929 <param name="rt" value=":"/> | |
8930 <param name="mz" value=":"/> | |
8931 <param name="int" value=":"/> | |
8932 <param name="sort" value="false"/> | |
8933 <section name="peak_options"> | |
8934 <param name="sn" value="0.0"/> | |
8935 <param name="rm_pc_charge" value=""/> | |
8936 <param name="pc_mz_range" value=":"/> | |
8937 <param name="pc_mz_list" value=""/> | |
8938 <param name="level" value="1 2 3"/> | |
8939 <param name="sort_peaks" value="false"/> | |
8940 <param name="no_chromatograms" value="false"/> | |
8941 <param name="remove_chromatograms" value="false"/> | |
8942 <param name="remove_empty" value="false"/> | |
8943 <param name="mz_precision" value="64"/> | |
8944 <param name="int_precision" value="32"/> | |
8945 <param name="indexed_file" value="false"/> | |
8946 <param name="zlib_compression" value="false"/> | |
8947 <section name="numpress"> | |
8948 <param name="masstime" value="none"/> | |
8949 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8950 <param name="intensity" value="none"/> | |
8951 <param name="float_da" value="none"/> | |
8952 </section> | |
8953 </section> | |
8954 <section name="spectra"> | |
8955 <param name="remove_zoom" value="false"/> | |
8956 <param name="remove_mode" value=""/> | |
8957 <param name="remove_activation" value=""/> | |
8958 <param name="remove_collision_energy" value=":"/> | |
8959 <param name="remove_isolation_window_width" value=":"/> | |
8960 <param name="select_zoom" value="false"/> | |
8961 <param name="select_mode" value=""/> | |
8962 <param name="select_activation" value=""/> | |
8963 <param name="select_collision_energy" value=":"/> | |
8964 <param name="select_isolation_window_width" value=":"/> | |
8965 <param name="select_polarity" value=""/> | |
8966 <section name="blackorwhitelist"> | |
8967 <param name="similarity_threshold" value="-1.0"/> | |
8968 <param name="rt" value="0.01"/> | |
8969 <param name="mz" value="0.01"/> | |
8970 <param name="use_ppm_tolerance" value="false"/> | |
8971 <param name="blacklist" value="true"/> | |
8972 </section> | |
8973 </section> | |
8974 <section name="feature"> | |
8975 <param name="q" value=":"/> | |
8976 </section> | |
8977 <section name="consensus"> | |
8978 <param name="map" value=""/> | |
8979 <param name="map_and" value="false"/> | |
8980 <section name="blackorwhitelist"> | |
8981 <param name="blacklist" value="true"/> | |
8982 <param name="maps" value=""/> | |
8983 <param name="rt" value="60.0"/> | |
8984 <param name="mz" value="0.01"/> | |
8985 <param name="use_ppm_tolerance" value="false"/> | |
8986 </section> | |
8987 </section> | |
8988 <section name="f_and_c"> | |
8989 <param name="charge" value=":"/> | |
8990 <param name="size" value=":"/> | |
8991 <param name="remove_meta" value=""/> | |
8992 </section> | |
8993 <section name="id"> | |
8994 <param name="remove_clashes" value="false"/> | |
8995 <param name="keep_best_score_id" value="false"/> | |
8996 <param name="sequences_whitelist" value=""/> | |
8997 <param name="sequence_comparison_method" value="substring"/> | |
8998 <param name="accessions_whitelist" value=""/> | |
8999 <param name="remove_annotated_features" value="false"/> | |
9000 <param name="remove_unannotated_features" value="false"/> | |
9001 <param name="remove_unassigned_ids" value="false"/> | |
9002 <param name="rt" value="0.1"/> | |
9003 <param name="mz" value="0.001"/> | |
9004 <param name="blacklist_imperfect" value="false"/> | |
9005 </section> | |
9006 <section name="algorithm"> | |
9007 <section name="SignalToNoise"> | |
9008 <param name="max_intensity" value="-1"/> | |
9009 <param name="auto_max_stdev_factor" value="3.0"/> | |
9010 <param name="auto_max_percentile" value="95"/> | |
9011 <param name="auto_mode" value="0"/> | |
9012 <param name="win_len" value="200.0"/> | |
9013 <param name="bin_count" value="30"/> | |
9014 <param name="min_required_elements" value="10"/> | |
9015 <param name="noise_for_empty_window" value="1e+20"/> | |
9016 <param name="write_log_messages" value="true"/> | |
9017 </section> | |
9018 </section> | |
9019 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9020 <output name="ctd_out" ftype="xml"> | |
9021 <assert_contents> | |
9022 <is_valid_xml/> | |
9023 </assert_contents> | |
9024 </output> | |
9025 </test> | |
9026 <test expect_num_outputs="2"> | |
9027 <conditional name="adv_opts_cond"> | |
9028 <param name="adv_opts_selector" value="advanced"/> | |
9029 <param name="force" value="false"/> | |
9030 <param name="test" value="true"/> | |
9031 </conditional> | |
9032 <param name="in" value="FileFilter_1_input.mzML"/> | |
9033 <output name="out" file="FileFilter_37_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9034 <param name="out_type" value="mzML"/> | |
9035 <param name="rt" value=":"/> | |
9036 <param name="mz" value=":"/> | |
9037 <param name="int" value=":"/> | |
9038 <param name="sort" value="false"/> | |
9039 <section name="peak_options"> | |
9040 <param name="sn" value="0.0"/> | |
9041 <param name="rm_pc_charge" value=""/> | |
9042 <param name="pc_mz_range" value=":"/> | |
9043 <param name="pc_mz_list" value=""/> | |
9044 <param name="level" value="1 2 3"/> | |
9045 <param name="sort_peaks" value="false"/> | |
9046 <param name="no_chromatograms" value="false"/> | |
9047 <param name="remove_chromatograms" value="false"/> | |
9048 <param name="remove_empty" value="false"/> | |
9049 <param name="mz_precision" value="64"/> | |
9050 <param name="int_precision" value="32"/> | |
9051 <param name="indexed_file" value="true"/> | |
9052 <param name="zlib_compression" value="false"/> | |
9053 <section name="numpress"> | |
9054 <param name="masstime" value="linear"/> | |
9055 <param name="lossy_mass_accuracy" value="0.0001"/> | |
9056 <param name="intensity" value="slof"/> | |
9057 <param name="float_da" value="none"/> | |
9058 </section> | |
9059 </section> | |
9060 <section name="spectra"> | |
9061 <param name="remove_zoom" value="false"/> | |
9062 <param name="remove_mode" value=""/> | |
9063 <param name="remove_activation" value=""/> | |
9064 <param name="remove_collision_energy" value=":"/> | |
9065 <param name="remove_isolation_window_width" value=":"/> | |
9066 <param name="select_zoom" value="false"/> | |
9067 <param name="select_mode" value=""/> | |
9068 <param name="select_activation" value=""/> | |
9069 <param name="select_collision_energy" value=":"/> | |
9070 <param name="select_isolation_window_width" value=":"/> | |
9071 <param name="select_polarity" value=""/> | |
9072 <section name="blackorwhitelist"> | |
9073 <param name="similarity_threshold" value="-1.0"/> | |
9074 <param name="rt" value="0.01"/> | |
9075 <param name="mz" value="0.01"/> | |
9076 <param name="use_ppm_tolerance" value="false"/> | |
9077 <param name="blacklist" value="true"/> | |
9078 </section> | |
9079 </section> | |
9080 <section name="feature"> | |
9081 <param name="q" value=":"/> | |
9082 </section> | |
9083 <section name="consensus"> | |
9084 <param name="map" value=""/> | |
9085 <param name="map_and" value="false"/> | |
9086 <section name="blackorwhitelist"> | |
9087 <param name="blacklist" value="true"/> | |
9088 <param name="maps" value=""/> | |
9089 <param name="rt" value="60.0"/> | |
9090 <param name="mz" value="0.01"/> | |
9091 <param name="use_ppm_tolerance" value="false"/> | |
9092 </section> | |
9093 </section> | |
9094 <section name="f_and_c"> | |
9095 <param name="charge" value=":"/> | |
9096 <param name="size" value=":"/> | |
9097 <param name="remove_meta" value=""/> | |
9098 </section> | |
9099 <section name="id"> | |
9100 <param name="remove_clashes" value="false"/> | |
9101 <param name="keep_best_score_id" value="false"/> | |
9102 <param name="sequences_whitelist" value=""/> | |
9103 <param name="sequence_comparison_method" value="substring"/> | |
9104 <param name="accessions_whitelist" value=""/> | |
9105 <param name="remove_annotated_features" value="false"/> | |
9106 <param name="remove_unannotated_features" value="false"/> | |
9107 <param name="remove_unassigned_ids" value="false"/> | |
9108 <param name="rt" value="0.1"/> | |
9109 <param name="mz" value="0.001"/> | |
9110 <param name="blacklist_imperfect" value="false"/> | |
9111 </section> | |
9112 <section name="algorithm"> | |
9113 <section name="SignalToNoise"> | |
9114 <param name="max_intensity" value="-1"/> | |
9115 <param name="auto_max_stdev_factor" value="3.0"/> | |
9116 <param name="auto_max_percentile" value="95"/> | |
9117 <param name="auto_mode" value="0"/> | |
9118 <param name="win_len" value="200.0"/> | |
9119 <param name="bin_count" value="30"/> | |
9120 <param name="min_required_elements" value="10"/> | |
9121 <param name="noise_for_empty_window" value="1e+20"/> | |
9122 <param name="write_log_messages" value="true"/> | |
9123 </section> | |
9124 </section> | |
9125 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9126 <output name="ctd_out" ftype="xml"> | |
9127 <assert_contents> | |
9128 <is_valid_xml/> | |
9129 </assert_contents> | |
9130 </output> | |
9131 </test> | |
9132 <test expect_num_outputs="2"> | |
9133 <conditional name="adv_opts_cond"> | |
9134 <param name="adv_opts_selector" value="advanced"/> | |
9135 <param name="force" value="false"/> | |
9136 <param name="test" value="true"/> | |
9137 </conditional> | |
9138 <param name="in" value="FileFilter_1_input.mzML"/> | |
9139 <output name="out" file="FileFilter_38_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9140 <param name="out_type" value="mzML"/> | |
9141 <param name="rt" value=":"/> | |
9142 <param name="mz" value=":"/> | |
9143 <param name="int" value=":"/> | |
9144 <param name="sort" value="false"/> | |
9145 <section name="peak_options"> | |
9146 <param name="sn" value="0.0"/> | |
9147 <param name="rm_pc_charge" value=""/> | |
9148 <param name="pc_mz_range" value=":"/> | |
9149 <param name="pc_mz_list" value=""/> | |
9150 <param name="level" value="1 2 3"/> | |
9151 <param name="sort_peaks" value="false"/> | |
9152 <param name="no_chromatograms" value="false"/> | |
9153 <param name="remove_chromatograms" value="false"/> | |
9154 <param name="remove_empty" value="false"/> | |
9155 <param name="mz_precision" value="64"/> | |
9156 <param name="int_precision" value="32"/> | |
9157 <param name="indexed_file" value="true"/> | |
9158 <param name="zlib_compression" value="false"/> | |
9159 <section name="numpress"> | |
9160 <param name="masstime" value="linear"/> | |
9161 <param name="lossy_mass_accuracy" value="0.0001"/> | |
9162 <param name="intensity" value="pic"/> | |
9163 <param name="float_da" value="none"/> | |
9164 </section> | |
9165 </section> | |
9166 <section name="spectra"> | |
9167 <param name="remove_zoom" value="false"/> | |
9168 <param name="remove_mode" value=""/> | |
9169 <param name="remove_activation" value=""/> | |
9170 <param name="remove_collision_energy" value=":"/> | |
9171 <param name="remove_isolation_window_width" value=":"/> | |
9172 <param name="select_zoom" value="false"/> | |
9173 <param name="select_mode" value=""/> | |
9174 <param name="select_activation" value=""/> | |
9175 <param name="select_collision_energy" value=":"/> | |
9176 <param name="select_isolation_window_width" value=":"/> | |
9177 <param name="select_polarity" value=""/> | |
9178 <section name="blackorwhitelist"> | |
9179 <param name="similarity_threshold" value="-1.0"/> | |
9180 <param name="rt" value="0.01"/> | |
9181 <param name="mz" value="0.01"/> | |
9182 <param name="use_ppm_tolerance" value="false"/> | |
9183 <param name="blacklist" value="true"/> | |
9184 </section> | |
9185 </section> | |
9186 <section name="feature"> | |
9187 <param name="q" value=":"/> | |
9188 </section> | |
9189 <section name="consensus"> | |
9190 <param name="map" value=""/> | |
9191 <param name="map_and" value="false"/> | |
9192 <section name="blackorwhitelist"> | |
9193 <param name="blacklist" value="true"/> | |
9194 <param name="maps" value=""/> | |
9195 <param name="rt" value="60.0"/> | |
9196 <param name="mz" value="0.01"/> | |
9197 <param name="use_ppm_tolerance" value="false"/> | |
9198 </section> | |
9199 </section> | |
9200 <section name="f_and_c"> | |
9201 <param name="charge" value=":"/> | |
9202 <param name="size" value=":"/> | |
9203 <param name="remove_meta" value=""/> | |
9204 </section> | |
9205 <section name="id"> | |
9206 <param name="remove_clashes" value="false"/> | |
9207 <param name="keep_best_score_id" value="false"/> | |
9208 <param name="sequences_whitelist" value=""/> | |
9209 <param name="sequence_comparison_method" value="substring"/> | |
9210 <param name="accessions_whitelist" value=""/> | |
9211 <param name="remove_annotated_features" value="false"/> | |
9212 <param name="remove_unannotated_features" value="false"/> | |
9213 <param name="remove_unassigned_ids" value="false"/> | |
9214 <param name="rt" value="0.1"/> | |
9215 <param name="mz" value="0.001"/> | |
9216 <param name="blacklist_imperfect" value="false"/> | |
9217 </section> | |
9218 <section name="algorithm"> | |
9219 <section name="SignalToNoise"> | |
9220 <param name="max_intensity" value="-1"/> | |
9221 <param name="auto_max_stdev_factor" value="3.0"/> | |
9222 <param name="auto_max_percentile" value="95"/> | |
9223 <param name="auto_mode" value="0"/> | |
9224 <param name="win_len" value="200.0"/> | |
9225 <param name="bin_count" value="30"/> | |
9226 <param name="min_required_elements" value="10"/> | |
9227 <param name="noise_for_empty_window" value="1e+20"/> | |
9228 <param name="write_log_messages" value="true"/> | |
9229 </section> | |
9230 </section> | |
9231 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9232 <output name="ctd_out" ftype="xml"> | |
9233 <assert_contents> | |
9234 <is_valid_xml/> | |
9235 </assert_contents> | |
9236 </output> | |
9237 </test> | |
9238 <test expect_num_outputs="2"> | |
9239 <conditional name="adv_opts_cond"> | |
9240 <param name="adv_opts_selector" value="advanced"/> | |
9241 <param name="force" value="false"/> | |
9242 <param name="test" value="true"/> | |
9243 </conditional> | |
9244 <param name="in" value="FileFilter_40_input.mzML"/> | |
9245 <output name="out" file="FileFilter_40_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9246 <param name="out_type" value="mzML"/> | |
9247 <param name="rt" value=":"/> | |
9248 <param name="mz" value=":"/> | |
9249 <param name="int" value=":"/> | |
9250 <param name="sort" value="false"/> | |
9251 <section name="peak_options"> | |
9252 <param name="sn" value="0.0"/> | |
9253 <param name="rm_pc_charge" value=""/> | |
9254 <param name="pc_mz_range" value=":"/> | |
9255 <param name="pc_mz_list" value=""/> | |
9256 <param name="level" value="1 2 3"/> | |
9257 <param name="sort_peaks" value="false"/> | |
9258 <param name="no_chromatograms" value="false"/> | |
9259 <param name="remove_chromatograms" value="false"/> | |
9260 <param name="remove_empty" value="false"/> | |
9261 <param name="mz_precision" value="64"/> | |
9262 <param name="int_precision" value="32"/> | |
9263 <param name="indexed_file" value="true"/> | |
9264 <param name="zlib_compression" value="false"/> | |
9265 <section name="numpress"> | |
9266 <param name="masstime" value="none"/> | |
9267 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9268 <param name="intensity" value="none"/> | |
9269 <param name="float_da" value="none"/> | |
9270 </section> | |
9271 </section> | |
9272 <section name="spectra"> | |
9273 <param name="remove_zoom" value="false"/> | |
9274 <param name="remove_mode" value=""/> | |
9275 <param name="remove_activation" value=""/> | |
9276 <param name="remove_collision_energy" value=":"/> | |
9277 <param name="remove_isolation_window_width" value=":"/> | |
9278 <param name="select_zoom" value="false"/> | |
9279 <param name="select_mode" value=""/> | |
9280 <param name="select_activation" value=""/> | |
9281 <param name="select_collision_energy" value=":"/> | |
9282 <param name="select_isolation_window_width" value=":"/> | |
9283 <param name="select_polarity" value="positive"/> | |
9284 <section name="blackorwhitelist"> | |
9285 <param name="similarity_threshold" value="-1.0"/> | |
9286 <param name="rt" value="0.01"/> | |
9287 <param name="mz" value="0.01"/> | |
9288 <param name="use_ppm_tolerance" value="false"/> | |
9289 <param name="blacklist" value="true"/> | |
9290 </section> | |
9291 </section> | |
9292 <section name="feature"> | |
9293 <param name="q" value=":"/> | |
9294 </section> | |
9295 <section name="consensus"> | |
9296 <param name="map" value=""/> | |
9297 <param name="map_and" value="false"/> | |
9298 <section name="blackorwhitelist"> | |
9299 <param name="blacklist" value="true"/> | |
9300 <param name="maps" value=""/> | |
9301 <param name="rt" value="60.0"/> | |
9302 <param name="mz" value="0.01"/> | |
9303 <param name="use_ppm_tolerance" value="false"/> | |
9304 </section> | |
9305 </section> | |
9306 <section name="f_and_c"> | |
9307 <param name="charge" value=":"/> | |
9308 <param name="size" value=":"/> | |
9309 <param name="remove_meta" value=""/> | |
9310 </section> | |
9311 <section name="id"> | |
9312 <param name="remove_clashes" value="false"/> | |
9313 <param name="keep_best_score_id" value="false"/> | |
9314 <param name="sequences_whitelist" value=""/> | |
9315 <param name="sequence_comparison_method" value="substring"/> | |
9316 <param name="accessions_whitelist" value=""/> | |
9317 <param name="remove_annotated_features" value="false"/> | |
9318 <param name="remove_unannotated_features" value="false"/> | |
9319 <param name="remove_unassigned_ids" value="false"/> | |
9320 <param name="rt" value="0.1"/> | |
9321 <param name="mz" value="0.001"/> | |
9322 <param name="blacklist_imperfect" value="false"/> | |
9323 </section> | |
9324 <section name="algorithm"> | |
9325 <section name="SignalToNoise"> | |
9326 <param name="max_intensity" value="-1"/> | |
9327 <param name="auto_max_stdev_factor" value="3.0"/> | |
9328 <param name="auto_max_percentile" value="95"/> | |
9329 <param name="auto_mode" value="0"/> | |
9330 <param name="win_len" value="200.0"/> | |
9331 <param name="bin_count" value="30"/> | |
9332 <param name="min_required_elements" value="10"/> | |
9333 <param name="noise_for_empty_window" value="1e+20"/> | |
9334 <param name="write_log_messages" value="true"/> | |
9335 </section> | |
9336 </section> | |
9337 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9338 <output name="ctd_out" ftype="xml"> | |
9339 <assert_contents> | |
9340 <is_valid_xml/> | |
9341 </assert_contents> | |
9342 </output> | |
9343 </test> | |
9344 <test expect_num_outputs="2"> | |
9345 <conditional name="adv_opts_cond"> | |
9346 <param name="adv_opts_selector" value="advanced"/> | |
9347 <param name="force" value="false"/> | |
9348 <param name="test" value="true"/> | |
9349 </conditional> | |
9350 <param name="in" value="FileFilter_40_input.mzML"/> | |
9351 <output name="out" file="FileFilter_41_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9352 <param name="out_type" value="mzML"/> | |
9353 <param name="rt" value=":"/> | |
9354 <param name="mz" value=":"/> | |
9355 <param name="int" value=":"/> | |
9356 <param name="sort" value="false"/> | |
9357 <section name="peak_options"> | |
9358 <param name="sn" value="0.0"/> | |
9359 <param name="rm_pc_charge" value=""/> | |
9360 <param name="pc_mz_range" value=":"/> | |
9361 <param name="pc_mz_list" value=""/> | |
9362 <param name="level" value="1 2 3"/> | |
9363 <param name="sort_peaks" value="false"/> | |
9364 <param name="no_chromatograms" value="false"/> | |
9365 <param name="remove_chromatograms" value="false"/> | |
9366 <param name="remove_empty" value="false"/> | |
9367 <param name="mz_precision" value="64"/> | |
9368 <param name="int_precision" value="32"/> | |
9369 <param name="indexed_file" value="true"/> | |
9370 <param name="zlib_compression" value="false"/> | |
9371 <section name="numpress"> | |
9372 <param name="masstime" value="none"/> | |
9373 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9374 <param name="intensity" value="none"/> | |
9375 <param name="float_da" value="none"/> | |
9376 </section> | |
9377 </section> | |
9378 <section name="spectra"> | |
9379 <param name="remove_zoom" value="false"/> | |
9380 <param name="remove_mode" value=""/> | |
9381 <param name="remove_activation" value=""/> | |
9382 <param name="remove_collision_energy" value=":"/> | |
9383 <param name="remove_isolation_window_width" value=":"/> | |
9384 <param name="select_zoom" value="false"/> | |
9385 <param name="select_mode" value=""/> | |
9386 <param name="select_activation" value=""/> | |
9387 <param name="select_collision_energy" value=":"/> | |
9388 <param name="select_isolation_window_width" value=":"/> | |
9389 <param name="select_polarity" value="negative"/> | |
9390 <section name="blackorwhitelist"> | |
9391 <param name="similarity_threshold" value="-1.0"/> | |
9392 <param name="rt" value="0.01"/> | |
9393 <param name="mz" value="0.01"/> | |
9394 <param name="use_ppm_tolerance" value="false"/> | |
9395 <param name="blacklist" value="true"/> | |
9396 </section> | |
9397 </section> | |
9398 <section name="feature"> | |
9399 <param name="q" value=":"/> | |
9400 </section> | |
9401 <section name="consensus"> | |
9402 <param name="map" value=""/> | |
9403 <param name="map_and" value="false"/> | |
9404 <section name="blackorwhitelist"> | |
9405 <param name="blacklist" value="true"/> | |
9406 <param name="maps" value=""/> | |
9407 <param name="rt" value="60.0"/> | |
9408 <param name="mz" value="0.01"/> | |
9409 <param name="use_ppm_tolerance" value="false"/> | |
9410 </section> | |
9411 </section> | |
9412 <section name="f_and_c"> | |
9413 <param name="charge" value=":"/> | |
9414 <param name="size" value=":"/> | |
9415 <param name="remove_meta" value=""/> | |
9416 </section> | |
9417 <section name="id"> | |
9418 <param name="remove_clashes" value="false"/> | |
9419 <param name="keep_best_score_id" value="false"/> | |
9420 <param name="sequences_whitelist" value=""/> | |
9421 <param name="sequence_comparison_method" value="substring"/> | |
9422 <param name="accessions_whitelist" value=""/> | |
9423 <param name="remove_annotated_features" value="false"/> | |
9424 <param name="remove_unannotated_features" value="false"/> | |
9425 <param name="remove_unassigned_ids" value="false"/> | |
9426 <param name="rt" value="0.1"/> | |
9427 <param name="mz" value="0.001"/> | |
9428 <param name="blacklist_imperfect" value="false"/> | |
9429 </section> | |
9430 <section name="algorithm"> | |
9431 <section name="SignalToNoise"> | |
9432 <param name="max_intensity" value="-1"/> | |
9433 <param name="auto_max_stdev_factor" value="3.0"/> | |
9434 <param name="auto_max_percentile" value="95"/> | |
9435 <param name="auto_mode" value="0"/> | |
9436 <param name="win_len" value="200.0"/> | |
9437 <param name="bin_count" value="30"/> | |
9438 <param name="min_required_elements" value="10"/> | |
9439 <param name="noise_for_empty_window" value="1e+20"/> | |
9440 <param name="write_log_messages" value="true"/> | |
9441 </section> | |
9442 </section> | |
9443 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9444 <output name="ctd_out" ftype="xml"> | |
9445 <assert_contents> | |
9446 <is_valid_xml/> | |
9447 </assert_contents> | |
9448 </output> | |
9449 </test> | |
9450 <test expect_num_outputs="2"> | |
9451 <conditional name="adv_opts_cond"> | |
9452 <param name="adv_opts_selector" value="advanced"/> | |
9453 <param name="force" value="false"/> | |
9454 <param name="test" value="true"/> | |
9455 </conditional> | |
9456 <param name="in" value="FileFilter_40_input.mzML"/> | |
9457 <output name="out" file="FileFilter_42_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9458 <param name="out_type" value="mzML"/> | |
9459 <param name="rt" value=":"/> | |
9460 <param name="mz" value=":"/> | |
9461 <param name="int" value=":"/> | |
9462 <param name="sort" value="false"/> | |
9463 <section name="peak_options"> | |
9464 <param name="sn" value="0.0"/> | |
9465 <param name="rm_pc_charge" value=""/> | |
9466 <param name="pc_mz_range" value=":"/> | |
9467 <param name="pc_mz_list" value=""/> | |
9468 <param name="level" value="1 2 3"/> | |
9469 <param name="sort_peaks" value="false"/> | |
9470 <param name="no_chromatograms" value="false"/> | |
9471 <param name="remove_chromatograms" value="false"/> | |
9472 <param name="remove_empty" value="false"/> | |
9473 <param name="mz_precision" value="64"/> | |
9474 <param name="int_precision" value="32"/> | |
9475 <param name="indexed_file" value="true"/> | |
9476 <param name="zlib_compression" value="false"/> | |
9477 <section name="numpress"> | |
9478 <param name="masstime" value="none"/> | |
9479 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9480 <param name="intensity" value="none"/> | |
9481 <param name="float_da" value="none"/> | |
9482 </section> | |
9483 </section> | |
9484 <section name="spectra"> | |
9485 <param name="remove_zoom" value="false"/> | |
9486 <param name="remove_mode" value=""/> | |
9487 <param name="remove_activation" value=""/> | |
9488 <param name="remove_collision_energy" value=":"/> | |
9489 <param name="remove_isolation_window_width" value=":"/> | |
9490 <param name="select_zoom" value="false"/> | |
9491 <param name="select_mode" value=""/> | |
9492 <param name="select_activation" value=""/> | |
9493 <param name="select_collision_energy" value=":"/> | |
9494 <param name="select_isolation_window_width" value=":"/> | |
9495 <param name="select_polarity" value=""/> | |
9496 <section name="blackorwhitelist"> | |
9497 <param name="similarity_threshold" value="-1.0"/> | |
9498 <param name="rt" value="0.01"/> | |
9499 <param name="mz" value="0.01"/> | |
9500 <param name="use_ppm_tolerance" value="false"/> | |
9501 <param name="blacklist" value="true"/> | |
9502 </section> | |
9503 </section> | |
9504 <section name="feature"> | |
9505 <param name="q" value=":"/> | |
9506 </section> | |
9507 <section name="consensus"> | |
9508 <param name="map" value=""/> | |
9509 <param name="map_and" value="false"/> | |
9510 <section name="blackorwhitelist"> | |
9511 <param name="blacklist" value="true"/> | |
9512 <param name="maps" value=""/> | |
9513 <param name="rt" value="60.0"/> | |
9514 <param name="mz" value="0.01"/> | |
9515 <param name="use_ppm_tolerance" value="false"/> | |
9516 </section> | |
9517 </section> | |
9518 <section name="f_and_c"> | |
9519 <param name="charge" value=":"/> | |
9520 <param name="size" value=":"/> | |
9521 <param name="remove_meta" value=""/> | |
9522 </section> | |
9523 <section name="id"> | |
9524 <param name="remove_clashes" value="false"/> | |
9525 <param name="keep_best_score_id" value="false"/> | |
9526 <param name="sequences_whitelist" value=""/> | |
9527 <param name="sequence_comparison_method" value="substring"/> | |
9528 <param name="accessions_whitelist" value=""/> | |
9529 <param name="remove_annotated_features" value="false"/> | |
9530 <param name="remove_unannotated_features" value="false"/> | |
9531 <param name="remove_unassigned_ids" value="false"/> | |
9532 <param name="rt" value="0.1"/> | |
9533 <param name="mz" value="0.001"/> | |
9534 <param name="blacklist_imperfect" value="false"/> | |
9535 </section> | |
9536 <section name="algorithm"> | |
9537 <section name="SignalToNoise"> | |
9538 <param name="max_intensity" value="-1"/> | |
9539 <param name="auto_max_stdev_factor" value="3.0"/> | |
9540 <param name="auto_max_percentile" value="95"/> | |
9541 <param name="auto_mode" value="0"/> | |
9542 <param name="win_len" value="200.0"/> | |
9543 <param name="bin_count" value="30"/> | |
9544 <param name="min_required_elements" value="10"/> | |
9545 <param name="noise_for_empty_window" value="1e+20"/> | |
9546 <param name="write_log_messages" value="true"/> | |
9547 </section> | |
9548 </section> | |
9549 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9550 <output name="ctd_out" ftype="xml"> | |
9551 <assert_contents> | |
9552 <is_valid_xml/> | |
9553 </assert_contents> | |
9554 </output> | |
9555 </test> | |
9556 <test expect_num_outputs="2"> | |
9557 <conditional name="adv_opts_cond"> | |
9558 <param name="adv_opts_selector" value="advanced"/> | |
9559 <param name="force" value="false"/> | |
9560 <param name="test" value="true"/> | |
9561 </conditional> | |
9562 <param name="in" value="FileFilter_43_input.mzML"/> | |
9563 <output name="out" file="FileFilter_43.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9564 <param name="out_type" value="mzML"/> | |
9565 <param name="rt" value=":"/> | |
9566 <param name="mz" value=":"/> | |
9567 <param name="int" value=":"/> | |
9568 <param name="sort" value="false"/> | |
9569 <section name="peak_options"> | |
9570 <param name="sn" value="0.0"/> | |
9571 <param name="rm_pc_charge" value=""/> | |
9572 <param name="pc_mz_range" value=":"/> | |
9573 <param name="pc_mz_list" value=""/> | |
9574 <param name="level" value="1 2 3"/> | |
9575 <param name="sort_peaks" value="false"/> | |
9576 <param name="no_chromatograms" value="false"/> | |
9577 <param name="remove_chromatograms" value="false"/> | |
9578 <param name="remove_empty" value="false"/> | |
9579 <param name="mz_precision" value="64"/> | |
9580 <param name="int_precision" value="32"/> | |
9581 <param name="indexed_file" value="true"/> | |
9582 <param name="zlib_compression" value="false"/> | |
9583 <section name="numpress"> | |
9584 <param name="masstime" value="none"/> | |
9585 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9586 <param name="intensity" value="none"/> | |
9587 <param name="float_da" value="none"/> | |
9588 </section> | |
9589 </section> | |
9590 <section name="spectra"> | |
9591 <param name="remove_zoom" value="false"/> | |
9592 <param name="remove_mode" value=""/> | |
9593 <param name="remove_activation" value=""/> | |
9594 <param name="remove_collision_energy" value=":"/> | |
9595 <param name="remove_isolation_window_width" value=":"/> | |
9596 <param name="select_zoom" value="false"/> | |
9597 <param name="select_mode" value=""/> | |
9598 <param name="select_activation" value=""/> | |
9599 <param name="select_collision_energy" value=":"/> | |
9600 <param name="select_isolation_window_width" value=":"/> | |
9601 <param name="select_polarity" value=""/> | |
9602 <section name="blackorwhitelist"> | |
9603 <param name="similarity_threshold" value="-1.0"/> | |
9604 <param name="rt" value="0.01"/> | |
9605 <param name="mz" value="0.01"/> | |
9606 <param name="use_ppm_tolerance" value="false"/> | |
9607 <param name="blacklist" value="true"/> | |
9608 </section> | |
9609 </section> | |
9610 <section name="feature"> | |
9611 <param name="q" value=":"/> | |
9612 </section> | |
9613 <section name="consensus"> | |
9614 <param name="map" value=""/> | |
9615 <param name="map_and" value="false"/> | |
9616 <section name="blackorwhitelist"> | |
9617 <param name="blacklist" value="true"/> | |
9618 <param name="maps" value=""/> | |
9619 <param name="rt" value="60.0"/> | |
9620 <param name="mz" value="0.01"/> | |
9621 <param name="use_ppm_tolerance" value="false"/> | |
9622 </section> | |
9623 </section> | |
9624 <section name="f_and_c"> | |
9625 <param name="charge" value=":"/> | |
9626 <param name="size" value=":"/> | |
9627 <param name="remove_meta" value=""/> | |
9628 </section> | |
9629 <section name="id"> | |
9630 <param name="remove_clashes" value="false"/> | |
9631 <param name="keep_best_score_id" value="false"/> | |
9632 <param name="sequences_whitelist" value=""/> | |
9633 <param name="sequence_comparison_method" value="substring"/> | |
9634 <param name="accessions_whitelist" value=""/> | |
9635 <param name="remove_annotated_features" value="false"/> | |
9636 <param name="remove_unannotated_features" value="false"/> | |
9637 <param name="remove_unassigned_ids" value="false"/> | |
9638 <param name="rt" value="0.1"/> | |
9639 <param name="mz" value="0.001"/> | |
9640 <param name="blacklist_imperfect" value="false"/> | |
9641 </section> | |
9642 <section name="algorithm"> | |
9643 <section name="SignalToNoise"> | |
9644 <param name="max_intensity" value="-1"/> | |
9645 <param name="auto_max_stdev_factor" value="3.0"/> | |
9646 <param name="auto_max_percentile" value="95"/> | |
9647 <param name="auto_mode" value="0"/> | |
9648 <param name="win_len" value="200.0"/> | |
9649 <param name="bin_count" value="30"/> | |
9650 <param name="min_required_elements" value="10"/> | |
9651 <param name="noise_for_empty_window" value="1e+20"/> | |
9652 <param name="write_log_messages" value="true"/> | |
9653 </section> | |
9654 </section> | |
9655 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9656 <output name="ctd_out" ftype="xml"> | |
9657 <assert_contents> | |
9658 <is_valid_xml/> | |
9659 </assert_contents> | |
9660 </output> | |
9661 </test> | |
9662 <test expect_num_outputs="2"> | |
9663 <conditional name="adv_opts_cond"> | |
9664 <param name="adv_opts_selector" value="advanced"/> | |
9665 <param name="force" value="false"/> | |
9666 <param name="test" value="true"/> | |
9667 </conditional> | |
9668 <param name="in" value="FileFilter_43.tmp.mzML"/> | |
9669 <output name="out" file="FileFilter_43.dummy.tmp" compare="sim_size" delta="5700"/> | |
9670 <param name="out_type" value="mzML"/> | |
9671 <param name="rt" value=":"/> | |
9672 <param name="mz" value=":"/> | |
9673 <param name="int" value=":"/> | |
9674 <param name="sort" value="false"/> | |
9675 <section name="peak_options"> | |
9676 <param name="sn" value="0.0"/> | |
9677 <param name="rm_pc_charge" value=""/> | |
9678 <param name="pc_mz_range" value=":"/> | |
9679 <param name="pc_mz_list" value=""/> | |
9680 <param name="level" value="1 2 3"/> | |
9681 <param name="sort_peaks" value="false"/> | |
9682 <param name="no_chromatograms" value="false"/> | |
9683 <param name="remove_chromatograms" value="false"/> | |
9684 <param name="remove_empty" value="false"/> | |
9685 <param name="mz_precision" value="64"/> | |
9686 <param name="int_precision" value="32"/> | |
9687 <param name="indexed_file" value="true"/> | |
9688 <param name="zlib_compression" value="false"/> | |
9689 <section name="numpress"> | |
9690 <param name="masstime" value="none"/> | |
9691 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9692 <param name="intensity" value="none"/> | |
9693 <param name="float_da" value="none"/> | |
9694 </section> | |
9695 </section> | |
9696 <section name="spectra"> | |
9697 <param name="remove_zoom" value="false"/> | |
9698 <param name="remove_mode" value=""/> | |
9699 <param name="remove_activation" value=""/> | |
9700 <param name="remove_collision_energy" value=":"/> | |
9701 <param name="remove_isolation_window_width" value=":"/> | |
9702 <param name="select_zoom" value="false"/> | |
9703 <param name="select_mode" value=""/> | |
9704 <param name="select_activation" value=""/> | |
9705 <param name="select_collision_energy" value=":"/> | |
9706 <param name="select_isolation_window_width" value=":"/> | |
9707 <param name="select_polarity" value=""/> | |
9708 <section name="blackorwhitelist"> | |
9709 <param name="similarity_threshold" value="-1.0"/> | |
9710 <param name="rt" value="0.01"/> | |
9711 <param name="mz" value="0.01"/> | |
9712 <param name="use_ppm_tolerance" value="false"/> | |
9713 <param name="blacklist" value="true"/> | |
9714 </section> | |
9715 </section> | |
9716 <section name="feature"> | |
9717 <param name="q" value=":"/> | |
9718 </section> | |
9719 <section name="consensus"> | |
9720 <param name="map" value=""/> | |
9721 <param name="map_and" value="false"/> | |
9722 <section name="blackorwhitelist"> | |
9723 <param name="blacklist" value="true"/> | |
9724 <param name="maps" value=""/> | |
9725 <param name="rt" value="60.0"/> | |
9726 <param name="mz" value="0.01"/> | |
9727 <param name="use_ppm_tolerance" value="false"/> | |
9728 </section> | |
9729 </section> | |
9730 <section name="f_and_c"> | |
9731 <param name="charge" value=":"/> | |
9732 <param name="size" value=":"/> | |
9733 <param name="remove_meta" value=""/> | |
9734 </section> | |
9735 <section name="id"> | |
9736 <param name="remove_clashes" value="false"/> | |
9737 <param name="keep_best_score_id" value="false"/> | |
9738 <param name="sequences_whitelist" value=""/> | |
9739 <param name="sequence_comparison_method" value="substring"/> | |
9740 <param name="accessions_whitelist" value=""/> | |
9741 <param name="remove_annotated_features" value="false"/> | |
9742 <param name="remove_unannotated_features" value="false"/> | |
9743 <param name="remove_unassigned_ids" value="false"/> | |
9744 <param name="rt" value="0.1"/> | |
9745 <param name="mz" value="0.001"/> | |
9746 <param name="blacklist_imperfect" value="false"/> | |
9747 </section> | |
9748 <section name="algorithm"> | |
9749 <section name="SignalToNoise"> | |
9750 <param name="max_intensity" value="-1"/> | |
9751 <param name="auto_max_stdev_factor" value="3.0"/> | |
9752 <param name="auto_max_percentile" value="95"/> | |
9753 <param name="auto_mode" value="0"/> | |
9754 <param name="win_len" value="200.0"/> | |
9755 <param name="bin_count" value="30"/> | |
9756 <param name="min_required_elements" value="10"/> | |
9757 <param name="noise_for_empty_window" value="1e+20"/> | |
9758 <param name="write_log_messages" value="true"/> | |
9759 </section> | |
9760 </section> | |
9761 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9762 <output name="ctd_out" ftype="xml"> | |
9763 <assert_contents> | |
9764 <is_valid_xml/> | |
9765 </assert_contents> | |
9766 </output> | |
9767 </test> | |
9768 <test expect_num_outputs="2"> | |
9769 <conditional name="adv_opts_cond"> | |
9770 <param name="adv_opts_selector" value="advanced"/> | |
9771 <param name="force" value="false"/> | |
9772 <param name="test" value="true"/> | |
9773 </conditional> | |
9774 <param name="in" value="FileFilter_44_input.mzML"/> | |
9775 <output name="out" file="FileFilter_44_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9776 <param name="out_type" value="mzML"/> | |
9777 <param name="rt" value=":"/> | |
9778 <param name="mz" value=":"/> | |
9779 <param name="int" value=":"/> | |
9780 <param name="sort" value="false"/> | |
9781 <section name="peak_options"> | |
9782 <param name="sn" value="0.0"/> | |
9783 <param name="rm_pc_charge" value=""/> | |
9784 <param name="pc_mz_range" value=":"/> | |
9785 <param name="pc_mz_list" value=""/> | |
9786 <param name="level" value="1 2 3"/> | |
9787 <param name="sort_peaks" value="false"/> | |
9788 <param name="no_chromatograms" value="false"/> | |
9789 <param name="remove_chromatograms" value="false"/> | |
9790 <param name="remove_empty" value="false"/> | |
9791 <param name="mz_precision" value="64"/> | |
9792 <param name="int_precision" value="32"/> | |
9793 <param name="indexed_file" value="true"/> | |
9794 <param name="zlib_compression" value="false"/> | |
9795 <section name="numpress"> | |
9796 <param name="masstime" value="none"/> | |
9797 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9798 <param name="intensity" value="none"/> | |
9799 <param name="float_da" value="none"/> | |
9800 </section> | |
9801 </section> | |
9802 <section name="spectra"> | |
9803 <param name="remove_zoom" value="false"/> | |
9804 <param name="remove_mode" value=""/> | |
9805 <param name="remove_activation" value=""/> | |
9806 <param name="remove_collision_energy" value=":"/> | |
9807 <param name="remove_isolation_window_width" value=":"/> | |
9808 <param name="select_zoom" value="false"/> | |
9809 <param name="select_mode" value=""/> | |
9810 <param name="select_activation" value=""/> | |
9811 <param name="select_collision_energy" value=":"/> | |
9812 <param name="select_isolation_window_width" value=":"/> | |
9813 <param name="select_polarity" value=""/> | |
9814 <section name="blackorwhitelist"> | |
9815 <param name="similarity_threshold" value="-1.0"/> | |
9816 <param name="rt" value="0.01"/> | |
9817 <param name="mz" value="0.01"/> | |
9818 <param name="use_ppm_tolerance" value="false"/> | |
9819 <param name="blacklist" value="true"/> | |
9820 </section> | |
9821 </section> | |
9822 <section name="feature"> | |
9823 <param name="q" value=":"/> | |
9824 </section> | |
9825 <section name="consensus"> | |
9826 <param name="map" value=""/> | |
9827 <param name="map_and" value="false"/> | |
9828 <section name="blackorwhitelist"> | |
9829 <param name="blacklist" value="true"/> | |
9830 <param name="maps" value=""/> | |
9831 <param name="rt" value="60.0"/> | |
9832 <param name="mz" value="0.01"/> | |
9833 <param name="use_ppm_tolerance" value="false"/> | |
9834 </section> | |
9835 </section> | |
9836 <section name="f_and_c"> | |
9837 <param name="charge" value=":"/> | |
9838 <param name="size" value=":"/> | |
9839 <param name="remove_meta" value=""/> | |
9840 </section> | |
9841 <section name="id"> | |
9842 <param name="remove_clashes" value="false"/> | |
9843 <param name="keep_best_score_id" value="false"/> | |
9844 <param name="sequences_whitelist" value=""/> | |
9845 <param name="sequence_comparison_method" value="substring"/> | |
9846 <param name="accessions_whitelist" value=""/> | |
9847 <param name="remove_annotated_features" value="false"/> | |
9848 <param name="remove_unannotated_features" value="false"/> | |
9849 <param name="remove_unassigned_ids" value="false"/> | |
9850 <param name="rt" value="0.1"/> | |
9851 <param name="mz" value="0.001"/> | |
9852 <param name="blacklist_imperfect" value="false"/> | |
9853 </section> | |
9854 <section name="algorithm"> | |
9855 <section name="SignalToNoise"> | |
9856 <param name="max_intensity" value="-1"/> | |
9857 <param name="auto_max_stdev_factor" value="3.0"/> | |
9858 <param name="auto_max_percentile" value="95"/> | |
9859 <param name="auto_mode" value="0"/> | |
9860 <param name="win_len" value="200.0"/> | |
9861 <param name="bin_count" value="30"/> | |
9862 <param name="min_required_elements" value="10"/> | |
9863 <param name="noise_for_empty_window" value="1e+20"/> | |
9864 <param name="write_log_messages" value="true"/> | |
9865 </section> | |
9866 </section> | |
9867 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9868 <output name="ctd_out" ftype="xml"> | |
9869 <assert_contents> | |
9870 <is_valid_xml/> | |
9871 </assert_contents> | |
9872 </output> | |
9873 </test> | |
9874 <test expect_num_outputs="2"> | |
9875 <conditional name="adv_opts_cond"> | |
9876 <param name="adv_opts_selector" value="advanced"/> | |
9877 <param name="force" value="false"/> | |
9878 <param name="test" value="true"/> | |
9879 </conditional> | |
9880 <param name="in" value="FileFilter_45_input.featureXML"/> | |
9881 <output name="out" file="FileFilter_45_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
9882 <param name="out_type" value="featurexml"/> | |
9883 <param name="rt" value=":"/> | |
9884 <param name="mz" value=":"/> | |
9885 <param name="int" value=":"/> | |
9886 <param name="sort" value="false"/> | |
9887 <section name="peak_options"> | |
9888 <param name="sn" value="0.0"/> | |
9889 <param name="rm_pc_charge" value=""/> | |
9890 <param name="pc_mz_range" value=":"/> | |
9891 <param name="pc_mz_list" value=""/> | |
9892 <param name="level" value="1 2 3"/> | |
9893 <param name="sort_peaks" value="false"/> | |
9894 <param name="no_chromatograms" value="false"/> | |
9895 <param name="remove_chromatograms" value="false"/> | |
9896 <param name="remove_empty" value="false"/> | |
9897 <param name="mz_precision" value="64"/> | |
9898 <param name="int_precision" value="32"/> | |
9899 <param name="indexed_file" value="true"/> | |
9900 <param name="zlib_compression" value="false"/> | |
9901 <section name="numpress"> | |
9902 <param name="masstime" value="none"/> | |
9903 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9904 <param name="intensity" value="none"/> | |
9905 <param name="float_da" value="none"/> | |
9906 </section> | |
9907 </section> | |
9908 <section name="spectra"> | |
9909 <param name="remove_zoom" value="false"/> | |
9910 <param name="remove_mode" value=""/> | |
9911 <param name="remove_activation" value=""/> | |
9912 <param name="remove_collision_energy" value=":"/> | |
9913 <param name="remove_isolation_window_width" value=":"/> | |
9914 <param name="select_zoom" value="false"/> | |
9915 <param name="select_mode" value=""/> | |
9916 <param name="select_activation" value=""/> | |
9917 <param name="select_collision_energy" value=":"/> | |
9918 <param name="select_isolation_window_width" value=":"/> | |
9919 <param name="select_polarity" value=""/> | |
9920 <section name="blackorwhitelist"> | |
9921 <param name="similarity_threshold" value="-1.0"/> | |
9922 <param name="rt" value="0.01"/> | |
9923 <param name="mz" value="0.01"/> | |
9924 <param name="use_ppm_tolerance" value="false"/> | |
9925 <param name="blacklist" value="true"/> | |
9926 </section> | |
9927 </section> | |
9928 <section name="feature"> | |
9929 <param name="q" value=":"/> | |
9930 </section> | |
9931 <section name="consensus"> | |
9932 <param name="map" value=""/> | |
9933 <param name="map_and" value="false"/> | |
9934 <section name="blackorwhitelist"> | |
9935 <param name="blacklist" value="true"/> | |
9936 <param name="maps" value=""/> | |
9937 <param name="rt" value="60.0"/> | |
9938 <param name="mz" value="0.01"/> | |
9939 <param name="use_ppm_tolerance" value="false"/> | |
9940 </section> | |
9941 </section> | |
9942 <section name="f_and_c"> | |
9943 <param name="charge" value=":"/> | |
9944 <param name="size" value=":"/> | |
9945 <param name="remove_meta" value=""/> | |
9946 </section> | |
9947 <section name="id"> | |
9948 <param name="remove_clashes" value="false"/> | |
9949 <param name="keep_best_score_id" value="false"/> | |
9950 <param name="sequences_whitelist" value=""YSFS" "STLIPPPSK(Label:13C(6)15N(2))""/> | |
9951 <param name="sequence_comparison_method" value="substring"/> | |
9952 <param name="accessions_whitelist" value=""/> | |
9953 <param name="remove_annotated_features" value="false"/> | |
9954 <param name="remove_unannotated_features" value="false"/> | |
9955 <param name="remove_unassigned_ids" value="false"/> | |
9956 <param name="rt" value="0.1"/> | |
9957 <param name="mz" value="0.001"/> | |
9958 <param name="blacklist_imperfect" value="false"/> | |
9959 </section> | |
9960 <section name="algorithm"> | |
9961 <section name="SignalToNoise"> | |
9962 <param name="max_intensity" value="-1"/> | |
9963 <param name="auto_max_stdev_factor" value="3.0"/> | |
9964 <param name="auto_max_percentile" value="95"/> | |
9965 <param name="auto_mode" value="0"/> | |
9966 <param name="win_len" value="200.0"/> | |
9967 <param name="bin_count" value="30"/> | |
9968 <param name="min_required_elements" value="10"/> | |
9969 <param name="noise_for_empty_window" value="1e+20"/> | |
9970 <param name="write_log_messages" value="true"/> | |
9971 </section> | |
9972 </section> | |
9973 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9974 <output name="ctd_out" ftype="xml"> | |
9975 <assert_contents> | |
9976 <is_valid_xml/> | |
9977 </assert_contents> | |
9978 </output> | |
9979 </test> | |
9980 <test expect_num_outputs="2"> | |
9981 <conditional name="adv_opts_cond"> | |
9982 <param name="adv_opts_selector" value="advanced"/> | |
9983 <param name="force" value="false"/> | |
9984 <param name="test" value="true"/> | |
9985 </conditional> | |
9986 <param name="in" value="FileFilter_46_input.featureXML"/> | |
9987 <output name="out" file="FileFilter_46_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
9988 <param name="out_type" value="featurexml"/> | |
9989 <param name="rt" value=":"/> | |
9990 <param name="mz" value=":"/> | |
9991 <param name="int" value=":"/> | |
9992 <param name="sort" value="false"/> | |
9993 <section name="peak_options"> | |
9994 <param name="sn" value="0.0"/> | |
9995 <param name="rm_pc_charge" value=""/> | |
9996 <param name="pc_mz_range" value=":"/> | |
9997 <param name="pc_mz_list" value=""/> | |
9998 <param name="level" value="1 2 3"/> | |
9999 <param name="sort_peaks" value="false"/> | |
10000 <param name="no_chromatograms" value="false"/> | |
10001 <param name="remove_chromatograms" value="false"/> | |
10002 <param name="remove_empty" value="false"/> | |
10003 <param name="mz_precision" value="64"/> | |
10004 <param name="int_precision" value="32"/> | |
10005 <param name="indexed_file" value="true"/> | |
10006 <param name="zlib_compression" value="false"/> | |
10007 <section name="numpress"> | |
10008 <param name="masstime" value="none"/> | |
10009 <param name="lossy_mass_accuracy" value="-1.0"/> | |
10010 <param name="intensity" value="none"/> | |
10011 <param name="float_da" value="none"/> | |
10012 </section> | |
10013 </section> | |
10014 <section name="spectra"> | |
10015 <param name="remove_zoom" value="false"/> | |
10016 <param name="remove_mode" value=""/> | |
10017 <param name="remove_activation" value=""/> | |
10018 <param name="remove_collision_energy" value=":"/> | |
10019 <param name="remove_isolation_window_width" value=":"/> | |
10020 <param name="select_zoom" value="false"/> | |
10021 <param name="select_mode" value=""/> | |
10022 <param name="select_activation" value=""/> | |
10023 <param name="select_collision_energy" value=":"/> | |
10024 <param name="select_isolation_window_width" value=":"/> | |
10025 <param name="select_polarity" value=""/> | |
10026 <section name="blackorwhitelist"> | |
10027 <param name="similarity_threshold" value="-1.0"/> | |
10028 <param name="rt" value="0.01"/> | |
10029 <param name="mz" value="0.01"/> | |
10030 <param name="use_ppm_tolerance" value="false"/> | |
10031 <param name="blacklist" value="true"/> | |
10032 </section> | |
10033 </section> | |
10034 <section name="feature"> | |
10035 <param name="q" value=":"/> | |
10036 </section> | |
10037 <section name="consensus"> | |
10038 <param name="map" value=""/> | |
10039 <param name="map_and" value="false"/> | |
10040 <section name="blackorwhitelist"> | |
10041 <param name="blacklist" value="true"/> | |
10042 <param name="maps" value=""/> | |
10043 <param name="rt" value="60.0"/> | |
10044 <param name="mz" value="0.01"/> | |
10045 <param name="use_ppm_tolerance" value="false"/> | |
10046 </section> | |
10047 </section> | |
10048 <section name="f_and_c"> | |
10049 <param name="charge" value=":"/> | |
10050 <param name="size" value=":"/> | |
10051 <param name="remove_meta" value=""/> | |
10052 </section> | |
10053 <section name="id"> | |
10054 <param name="remove_clashes" value="false"/> | |
10055 <param name="keep_best_score_id" value="false"/> | |
10056 <param name="sequences_whitelist" value=""YSFS" "STLIPPPSK(Label:13C(6)15N(2))""/> | |
10057 <param name="sequence_comparison_method" value="exact"/> | |
10058 <param name="accessions_whitelist" value=""/> | |
10059 <param name="remove_annotated_features" value="false"/> | |
10060 <param name="remove_unannotated_features" value="false"/> | |
10061 <param name="remove_unassigned_ids" value="false"/> | |
10062 <param name="rt" value="0.1"/> | |
10063 <param name="mz" value="0.001"/> | |
10064 <param name="blacklist_imperfect" value="false"/> | |
10065 </section> | |
10066 <section name="algorithm"> | |
10067 <section name="SignalToNoise"> | |
10068 <param name="max_intensity" value="-1"/> | |
10069 <param name="auto_max_stdev_factor" value="3.0"/> | |
10070 <param name="auto_max_percentile" value="95"/> | |
10071 <param name="auto_mode" value="0"/> | |
10072 <param name="win_len" value="200.0"/> | |
10073 <param name="bin_count" value="30"/> | |
10074 <param name="min_required_elements" value="10"/> | |
10075 <param name="noise_for_empty_window" value="1e+20"/> | |
10076 <param name="write_log_messages" value="true"/> | |
10077 </section> | |
10078 </section> | |
10079 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10080 <output name="ctd_out" ftype="xml"> | |
10081 <assert_contents> | |
10082 <is_valid_xml/> | |
10083 </assert_contents> | |
10084 </output> | |
10085 </test> | |
10086 <test expect_num_outputs="2"> | |
10087 <conditional name="adv_opts_cond"> | |
10088 <param name="adv_opts_selector" value="advanced"/> | |
10089 <param name="force" value="false"/> | |
10090 <param name="test" value="true"/> | |
10091 </conditional> | |
10092 <param name="in" value="FileFilter_47_input.mzML"/> | |
10093 <output name="out" file="FileFilter_47_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10094 <param name="out_type" value="mzml"/> | |
10095 <param name="rt" value=":"/> | |
10096 <param name="mz" value=":"/> | |
10097 <param name="int" value=":"/> | |
10098 <param name="sort" value="false"/> | |
10099 <section name="peak_options"> | |
10100 <param name="sn" value="0.0"/> | |
10101 <param name="rm_pc_charge" value=""/> | |
10102 <param name="pc_mz_range" value=":"/> | |
10103 <param name="pc_mz_list" value=""/> | |
10104 <param name="level" value="1 2 3"/> | |
10105 <param name="sort_peaks" value="false"/> | |
10106 <param name="no_chromatograms" value="false"/> | |
10107 <param name="remove_chromatograms" value="false"/> | |
10108 <param name="remove_empty" value="false"/> | |
10109 <param name="mz_precision" value="64"/> | |
10110 <param name="int_precision" value="32"/> | |
10111 <param name="indexed_file" value="true"/> | |
10112 <param name="zlib_compression" value="false"/> | |
10113 <section name="numpress"> | |
10114 <param name="masstime" value="none"/> | |
10115 <param name="lossy_mass_accuracy" value="-1.0"/> | |
10116 <param name="intensity" value="none"/> | |
10117 <param name="float_da" value="none"/> | |
10118 </section> | |
10119 </section> | |
10120 <section name="spectra"> | |
10121 <param name="remove_zoom" value="false"/> | |
10122 <param name="remove_mode" value=""/> | |
10123 <param name="remove_activation" value=""/> | |
10124 <param name="remove_collision_energy" value=":"/> | |
10125 <param name="remove_isolation_window_width" value=":"/> | |
10126 <param name="select_zoom" value="false"/> | |
10127 <param name="select_mode" value=""/> | |
10128 <param name="select_activation" value=""/> | |
10129 <param name="select_collision_energy" value=":"/> | |
10130 <param name="select_isolation_window_width" value=":"/> | |
10131 <param name="select_polarity" value=""/> | |
10132 <section name="blackorwhitelist"> | |
10133 <param name="file" value="FileFilter_47_input_select.mzML"/> | |
10134 <param name="similarity_threshold" value="0.9"/> | |
10135 <param name="rt" value="0.01"/> | |
10136 <param name="mz" value="0.01"/> | |
10137 <param name="use_ppm_tolerance" value="false"/> | |
10138 <param name="blacklist" value="true"/> | |
10139 </section> | |
10140 </section> | |
10141 <section name="feature"> | |
10142 <param name="q" value=":"/> | |
10143 </section> | |
10144 <section name="consensus"> | |
10145 <param name="map" value=""/> | |
10146 <param name="map_and" value="false"/> | |
10147 <section name="blackorwhitelist"> | |
10148 <param name="blacklist" value="true"/> | |
10149 <param name="maps" value=""/> | |
10150 <param name="rt" value="60.0"/> | |
10151 <param name="mz" value="0.01"/> | |
10152 <param name="use_ppm_tolerance" value="false"/> | |
10153 </section> | |
10154 </section> | |
10155 <section name="f_and_c"> | |
10156 <param name="charge" value=":"/> | |
10157 <param name="size" value=":"/> | |
10158 <param name="remove_meta" value=""/> | |
10159 </section> | |
10160 <section name="id"> | |
10161 <param name="remove_clashes" value="false"/> | |
10162 <param name="keep_best_score_id" value="false"/> | |
10163 <param name="sequences_whitelist" value=""/> | |
10164 <param name="sequence_comparison_method" value="substring"/> | |
10165 <param name="accessions_whitelist" value=""/> | |
10166 <param name="remove_annotated_features" value="false"/> | |
10167 <param name="remove_unannotated_features" value="false"/> | |
10168 <param name="remove_unassigned_ids" value="false"/> | |
10169 <param name="rt" value="0.1"/> | |
10170 <param name="mz" value="0.001"/> | |
10171 <param name="blacklist_imperfect" value="false"/> | |
10172 </section> | |
10173 <section name="algorithm"> | |
10174 <section name="SignalToNoise"> | |
10175 <param name="max_intensity" value="-1"/> | |
10176 <param name="auto_max_stdev_factor" value="3.0"/> | |
10177 <param name="auto_max_percentile" value="95"/> | |
10178 <param name="auto_mode" value="0"/> | |
10179 <param name="win_len" value="200.0"/> | |
10180 <param name="bin_count" value="30"/> | |
10181 <param name="min_required_elements" value="10"/> | |
10182 <param name="noise_for_empty_window" value="1e+20"/> | |
10183 <param name="write_log_messages" value="true"/> | |
10184 </section> | |
10185 </section> | |
10186 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10187 <output name="ctd_out" ftype="xml"> | |
10188 <assert_contents> | |
10189 <is_valid_xml/> | |
10190 </assert_contents> | |
10191 </output> | |
10192 </test> | |
10193 <test expect_num_outputs="2"> | |
10194 <conditional name="adv_opts_cond"> | |
10195 <param name="adv_opts_selector" value="advanced"/> | |
10196 <param name="force" value="false"/> | |
10197 <param name="test" value="true"/> | |
10198 </conditional> | |
10199 <param name="in" value="FileFilter_47_input.mzML"/> | |
10200 <output name="out" file="FileFilter_48_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10201 <param name="out_type" value="mzml"/> | |
10202 <param name="rt" value=":"/> | |
10203 <param name="mz" value=":"/> | |
10204 <param name="int" value=":"/> | |
10205 <param name="sort" value="false"/> | |
10206 <section name="peak_options"> | |
10207 <param name="sn" value="0.0"/> | |
10208 <param name="rm_pc_charge" value=""/> | |
10209 <param name="pc_mz_range" value=":"/> | |
10210 <param name="pc_mz_list" value=""/> | |
10211 <param name="level" value="1 2 3"/> | |
10212 <param name="sort_peaks" value="false"/> | |
10213 <param name="no_chromatograms" value="false"/> | |
10214 <param name="remove_chromatograms" value="false"/> | |
10215 <param name="remove_empty" value="false"/> | |
10216 <param name="mz_precision" value="64"/> | |
10217 <param name="int_precision" value="32"/> | |
10218 <param name="indexed_file" value="true"/> | |
10219 <param name="zlib_compression" value="false"/> | |
10220 <section name="numpress"> | |
10221 <param name="masstime" value="none"/> | |
10222 <param name="lossy_mass_accuracy" value="-1.0"/> | |
10223 <param name="intensity" value="none"/> | |
10224 <param name="float_da" value="none"/> | |
10225 </section> | |
10226 </section> | |
10227 <section name="spectra"> | |
10228 <param name="remove_zoom" value="false"/> | |
10229 <param name="remove_mode" value=""/> | |
10230 <param name="remove_activation" value=""/> | |
10231 <param name="remove_collision_energy" value=":"/> | |
10232 <param name="remove_isolation_window_width" value=":"/> | |
10233 <param name="select_zoom" value="false"/> | |
10234 <param name="select_mode" value=""/> | |
10235 <param name="select_activation" value=""/> | |
10236 <param name="select_collision_energy" value=":"/> | |
10237 <param name="select_isolation_window_width" value=":"/> | |
10238 <param name="select_polarity" value=""/> | |
10239 <section name="blackorwhitelist"> | |
10240 <param name="file" value="FileFilter_47_input_select.mzML"/> | |
10241 <param name="similarity_threshold" value="0.9"/> | |
10242 <param name="rt" value="0.01"/> | |
10243 <param name="mz" value="0.01"/> | |
10244 <param name="use_ppm_tolerance" value="false"/> | |
10245 <param name="blacklist" value="false"/> | |
10246 </section> | |
10247 </section> | |
10248 <section name="feature"> | |
10249 <param name="q" value=":"/> | |
10250 </section> | |
10251 <section name="consensus"> | |
10252 <param name="map" value=""/> | |
10253 <param name="map_and" value="false"/> | |
10254 <section name="blackorwhitelist"> | |
10255 <param name="blacklist" value="true"/> | |
10256 <param name="maps" value=""/> | |
10257 <param name="rt" value="60.0"/> | |
10258 <param name="mz" value="0.01"/> | |
10259 <param name="use_ppm_tolerance" value="false"/> | |
10260 </section> | |
10261 </section> | |
10262 <section name="f_and_c"> | |
10263 <param name="charge" value=":"/> | |
10264 <param name="size" value=":"/> | |
10265 <param name="remove_meta" value=""/> | |
10266 </section> | |
10267 <section name="id"> | |
10268 <param name="remove_clashes" value="false"/> | |
10269 <param name="keep_best_score_id" value="false"/> | |
10270 <param name="sequences_whitelist" value=""/> | |
10271 <param name="sequence_comparison_method" value="substring"/> | |
10272 <param name="accessions_whitelist" value=""/> | |
10273 <param name="remove_annotated_features" value="false"/> | |
10274 <param name="remove_unannotated_features" value="false"/> | |
10275 <param name="remove_unassigned_ids" value="false"/> | |
10276 <param name="rt" value="0.1"/> | |
10277 <param name="mz" value="0.001"/> | |
10278 <param name="blacklist_imperfect" value="false"/> | |
10279 </section> | |
10280 <section name="algorithm"> | |
10281 <section name="SignalToNoise"> | |
10282 <param name="max_intensity" value="-1"/> | |
10283 <param name="auto_max_stdev_factor" value="3.0"/> | |
10284 <param name="auto_max_percentile" value="95"/> | |
10285 <param name="auto_mode" value="0"/> | |
10286 <param name="win_len" value="200.0"/> | |
10287 <param name="bin_count" value="30"/> | |
10288 <param name="min_required_elements" value="10"/> | |
10289 <param name="noise_for_empty_window" value="1e+20"/> | |
10290 <param name="write_log_messages" value="true"/> | |
10291 </section> | |
10292 </section> | |
10293 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10294 <output name="ctd_out" ftype="xml"> | |
10295 <assert_contents> | |
10296 <is_valid_xml/> | |
10297 </assert_contents> | |
10298 </output> | |
10299 </test> | |
10300 <test expect_num_outputs="2"> | |
10301 <conditional name="adv_opts_cond"> | |
10302 <param name="adv_opts_selector" value="advanced"/> | |
10303 <param name="force" value="false"/> | |
10304 <param name="test" value="true"/> | |
10305 </conditional> | |
10306 <param name="in" value="FileFilter_49_input.mzML"/> | |
10307 <output name="out" file="FileFilter_49_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10308 <param name="out_type" value="mzml"/> | |
10309 <param name="rt" value=":"/> | |
10310 <param name="mz" value=":"/> | |
10311 <param name="int" value=":"/> | |
10312 <param name="sort" value="false"/> | |
10313 <section name="peak_options"> | |
10314 <param name="sn" value="0.0"/> | |
10315 <param name="rm_pc_charge" value=""/> | |
10316 <param name="pc_mz_range" value=":"/> | |
10317 <param name="pc_mz_list" value=""/> | |
10318 <param name="level" value="1 2 3"/> | |
10319 <param name="sort_peaks" value="false"/> | |
10320 <param name="no_chromatograms" value="false"/> | |
10321 <param name="remove_chromatograms" value="false"/> | |
10322 <param name="remove_empty" value="false"/> | |
10323 <param name="mz_precision" value="64"/> | |
10324 <param name="int_precision" value="32"/> | |
10325 <param name="indexed_file" value="true"/> | |
10326 <param name="zlib_compression" value="true"/> | |
10327 <section name="numpress"> | |
10328 <param name="masstime" value="linear"/> | |
10329 <param name="lossy_mass_accuracy" value="-1.0"/> | |
10330 <param name="intensity" value="pic"/> | |
10331 <param name="float_da" value="slof"/> | |
10332 </section> | |
10333 </section> | |
10334 <section name="spectra"> | |
10335 <param name="remove_zoom" value="false"/> | |
10336 <param name="remove_mode" value=""/> | |
10337 <param name="remove_activation" value=""/> | |
10338 <param name="remove_collision_energy" value=":"/> | |
10339 <param name="remove_isolation_window_width" value=":"/> | |
10340 <param name="select_zoom" value="false"/> | |
10341 <param name="select_mode" value=""/> | |
10342 <param name="select_activation" value=""/> | |
10343 <param name="select_collision_energy" value=":"/> | |
10344 <param name="select_isolation_window_width" value=":"/> | |
10345 <param name="select_polarity" value=""/> | |
10346 <section name="blackorwhitelist"> | |
10347 <param name="similarity_threshold" value="-1.0"/> | |
10348 <param name="rt" value="0.01"/> | |
10349 <param name="mz" value="0.01"/> | |
10350 <param name="use_ppm_tolerance" value="false"/> | |
10351 <param name="blacklist" value="true"/> | |
10352 </section> | |
10353 </section> | |
10354 <section name="feature"> | |
10355 <param name="q" value=":"/> | |
10356 </section> | |
10357 <section name="consensus"> | |
10358 <param name="map" value=""/> | |
10359 <param name="map_and" value="false"/> | |
10360 <section name="blackorwhitelist"> | |
10361 <param name="blacklist" value="true"/> | |
10362 <param name="maps" value=""/> | |
10363 <param name="rt" value="60.0"/> | |
10364 <param name="mz" value="0.01"/> | |
10365 <param name="use_ppm_tolerance" value="false"/> | |
10366 </section> | |
10367 </section> | |
10368 <section name="f_and_c"> | |
10369 <param name="charge" value=":"/> | |
10370 <param name="size" value=":"/> | |
10371 <param name="remove_meta" value=""/> | |
10372 </section> | |
10373 <section name="id"> | |
10374 <param name="remove_clashes" value="false"/> | |
10375 <param name="keep_best_score_id" value="false"/> | |
10376 <param name="sequences_whitelist" value=""/> | |
10377 <param name="sequence_comparison_method" value="substring"/> | |
10378 <param name="accessions_whitelist" value=""/> | |
10379 <param name="remove_annotated_features" value="false"/> | |
10380 <param name="remove_unannotated_features" value="false"/> | |
10381 <param name="remove_unassigned_ids" value="false"/> | |
10382 <param name="rt" value="0.1"/> | |
10383 <param name="mz" value="0.001"/> | |
10384 <param name="blacklist_imperfect" value="false"/> | |
10385 </section> | |
10386 <section name="algorithm"> | |
10387 <section name="SignalToNoise"> | |
10388 <param name="max_intensity" value="-1"/> | |
10389 <param name="auto_max_stdev_factor" value="3.0"/> | |
10390 <param name="auto_max_percentile" value="95"/> | |
10391 <param name="auto_mode" value="0"/> | |
10392 <param name="win_len" value="200.0"/> | |
10393 <param name="bin_count" value="30"/> | |
10394 <param name="min_required_elements" value="10"/> | |
10395 <param name="noise_for_empty_window" value="1e+20"/> | |
10396 <param name="write_log_messages" value="true"/> | |
10397 </section> | |
10398 </section> | |
10399 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10400 <output name="ctd_out" ftype="xml"> | |
10401 <assert_contents> | |
10402 <is_valid_xml/> | |
10403 </assert_contents> | |
10404 </output> | |
10405 </test> | |
10406 </xml> | |
10407 <xml name="autotest_FileInfo"> | |
10408 <test expect_num_outputs="2"> | |
10409 <conditional name="adv_opts_cond"> | |
10410 <param name="adv_opts_selector" value="advanced"/> | |
10411 <param name="force" value="false"/> | |
10412 <param name="test" value="true"/> | |
10413 </conditional> | |
10414 <param name="in" value="FileInfo_1_input.dta" ftype="dta"/> | |
10415 <output name="out" file="FileInfo_1_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10416 <param name="m" value="false"/> | |
10417 <param name="p" value="false"/> | |
10418 <param name="s" value="false"/> | |
10419 <param name="d" value="false"/> | |
10420 <param name="c" value="false"/> | |
10421 <param name="v" value="false"/> | |
10422 <param name="i" value="false"/> | |
10423 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10424 <output name="ctd_out" ftype="xml"> | |
10425 <assert_contents> | |
10426 <is_valid_xml/> | |
10427 </assert_contents> | |
10428 </output> | |
10429 </test> | |
10430 <test expect_num_outputs="2"> | |
10431 <conditional name="adv_opts_cond"> | |
10432 <param name="adv_opts_selector" value="advanced"/> | |
10433 <param name="force" value="false"/> | |
10434 <param name="test" value="true"/> | |
10435 </conditional> | |
10436 <param name="in" value="FileInfo_2_input.dta2d" ftype="dta2d"/> | |
10437 <output name="out" file="FileInfo_2_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10438 <param name="m" value="false"/> | |
10439 <param name="p" value="false"/> | |
10440 <param name="s" value="false"/> | |
10441 <param name="d" value="false"/> | |
10442 <param name="c" value="false"/> | |
10443 <param name="v" value="false"/> | |
10444 <param name="i" value="false"/> | |
10445 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10446 <output name="ctd_out" ftype="xml"> | |
10447 <assert_contents> | |
10448 <is_valid_xml/> | |
10449 </assert_contents> | |
10450 </output> | |
10451 </test> | |
10452 <test expect_num_outputs="2"> | |
10453 <conditional name="adv_opts_cond"> | |
10454 <param name="adv_opts_selector" value="advanced"/> | |
10455 <param name="force" value="false"/> | |
10456 <param name="test" value="true"/> | |
10457 </conditional> | |
10458 <param name="in" value="FileInfo_3_input.featureXML"/> | |
10459 <output name="out" file="FileInfo_3_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10460 <param name="m" value="true"/> | |
10461 <param name="p" value="true"/> | |
10462 <param name="s" value="true"/> | |
10463 <param name="d" value="false"/> | |
10464 <param name="c" value="false"/> | |
10465 <param name="v" value="false"/> | |
10466 <param name="i" value="false"/> | |
10467 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10468 <output name="ctd_out" ftype="xml"> | |
10469 <assert_contents> | |
10470 <is_valid_xml/> | |
10471 </assert_contents> | |
10472 </output> | |
10473 </test> | |
10474 <test expect_num_outputs="2"> | |
10475 <conditional name="adv_opts_cond"> | |
10476 <param name="adv_opts_selector" value="advanced"/> | |
10477 <param name="force" value="false"/> | |
10478 <param name="test" value="true"/> | |
10479 </conditional> | |
10480 <param name="in" value="FileInfo_4_input.mzXML"/> | |
10481 <output name="out" file="FileInfo_4_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10482 <param name="m" value="true"/> | |
10483 <param name="p" value="false"/> | |
10484 <param name="s" value="false"/> | |
10485 <param name="d" value="false"/> | |
10486 <param name="c" value="false"/> | |
10487 <param name="v" value="false"/> | |
10488 <param name="i" value="false"/> | |
10489 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10490 <output name="ctd_out" ftype="xml"> | |
10491 <assert_contents> | |
10492 <is_valid_xml/> | |
10493 </assert_contents> | |
10494 </output> | |
10495 </test> | |
10496 <test expect_num_outputs="2"> | |
10497 <conditional name="adv_opts_cond"> | |
10498 <param name="adv_opts_selector" value="advanced"/> | |
10499 <param name="force" value="false"/> | |
10500 <param name="test" value="true"/> | |
10501 </conditional> | |
10502 <param name="in" value="FileInfo_5_input.mzDat"/> | |
10503 <output name="out" file="FileInfo_5_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10504 <param name="m" value="true"/> | |
10505 <param name="p" value="false"/> | |
10506 <param name="s" value="true"/> | |
10507 <param name="d" value="false"/> | |
10508 <param name="c" value="false"/> | |
10509 <param name="v" value="false"/> | |
10510 <param name="i" value="false"/> | |
10511 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10512 <output name="ctd_out" ftype="xml"> | |
10513 <assert_contents> | |
10514 <is_valid_xml/> | |
10515 </assert_contents> | |
10516 </output> | |
10517 </test> | |
10518 <test expect_num_outputs="2"> | |
10519 <conditional name="adv_opts_cond"> | |
10520 <param name="adv_opts_selector" value="advanced"/> | |
10521 <param name="force" value="false"/> | |
10522 <param name="test" value="true"/> | |
10523 </conditional> | |
10524 <param name="in" value="FileInfo_6_input.mzData"/> | |
10525 <output name="out" file="FileInfo_6_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10526 <param name="m" value="false"/> | |
10527 <param name="p" value="false"/> | |
10528 <param name="s" value="true"/> | |
10529 <param name="d" value="true"/> | |
10530 <param name="c" value="false"/> | |
10531 <param name="v" value="false"/> | |
10532 <param name="i" value="false"/> | |
10533 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10534 <output name="ctd_out" ftype="xml"> | |
10535 <assert_contents> | |
10536 <is_valid_xml/> | |
10537 </assert_contents> | |
10538 </output> | |
10539 </test> | |
10540 <test expect_num_outputs="2"> | |
10541 <conditional name="adv_opts_cond"> | |
10542 <param name="adv_opts_selector" value="advanced"/> | |
10543 <param name="force" value="false"/> | |
10544 <param name="test" value="true"/> | |
10545 </conditional> | |
10546 <param name="in" value="FileInfo_7_input.consensusXML"/> | |
10547 <output name="out" file="FileInfo_7_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10548 <param name="m" value="true"/> | |
10549 <param name="p" value="true"/> | |
10550 <param name="s" value="true"/> | |
10551 <param name="d" value="false"/> | |
10552 <param name="c" value="false"/> | |
10553 <param name="v" value="false"/> | |
10554 <param name="i" value="false"/> | |
10555 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10556 <output name="ctd_out" ftype="xml"> | |
10557 <assert_contents> | |
10558 <is_valid_xml/> | |
10559 </assert_contents> | |
10560 </output> | |
10561 </test> | |
10562 <test expect_num_outputs="2"> | |
10563 <conditional name="adv_opts_cond"> | |
10564 <param name="adv_opts_selector" value="advanced"/> | |
10565 <param name="force" value="false"/> | |
10566 <param name="test" value="true"/> | |
10567 </conditional> | |
10568 <param name="in" value="FileInfo_9_input.mzML"/> | |
10569 <output name="out" file="FileInfo_9_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10570 <param name="m" value="true"/> | |
10571 <param name="p" value="true"/> | |
10572 <param name="s" value="true"/> | |
10573 <param name="d" value="false"/> | |
10574 <param name="c" value="false"/> | |
10575 <param name="v" value="false"/> | |
10576 <param name="i" value="false"/> | |
10577 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10578 <output name="ctd_out" ftype="xml"> | |
10579 <assert_contents> | |
10580 <is_valid_xml/> | |
10581 </assert_contents> | |
10582 </output> | |
10583 </test> | |
10584 <test expect_num_outputs="2"> | |
10585 <conditional name="adv_opts_cond"> | |
10586 <param name="adv_opts_selector" value="advanced"/> | |
10587 <param name="force" value="false"/> | |
10588 <param name="test" value="true"/> | |
10589 </conditional> | |
10590 <param name="in" value="FileInfo_10_input.idXML"/> | |
10591 <output name="out" file="FileInfo_10_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10592 <param name="m" value="false"/> | |
10593 <param name="p" value="false"/> | |
10594 <param name="s" value="false"/> | |
10595 <param name="d" value="false"/> | |
10596 <param name="c" value="false"/> | |
10597 <param name="v" value="false"/> | |
10598 <param name="i" value="false"/> | |
10599 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10600 <output name="ctd_out" ftype="xml"> | |
10601 <assert_contents> | |
10602 <is_valid_xml/> | |
10603 </assert_contents> | |
10604 </output> | |
10605 </test> | |
10606 <test expect_num_outputs="2"> | |
10607 <conditional name="adv_opts_cond"> | |
10608 <param name="adv_opts_selector" value="advanced"/> | |
10609 <param name="force" value="false"/> | |
10610 <param name="test" value="true"/> | |
10611 </conditional> | |
10612 <param name="in" value="FileInfo_12_input.mzML"/> | |
10613 <param name="m" value="false"/> | |
10614 <param name="p" value="false"/> | |
10615 <param name="s" value="false"/> | |
10616 <param name="d" value="false"/> | |
10617 <param name="c" value="false"/> | |
10618 <param name="v" value="false"/> | |
10619 <param name="i" value="true"/> | |
10620 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10621 <output name="ctd_out" ftype="xml"> | |
10622 <assert_contents> | |
10623 <is_valid_xml/> | |
10624 </assert_contents> | |
10625 </output> | |
10626 </test> | |
10627 <test expect_num_outputs="2"> | |
10628 <conditional name="adv_opts_cond"> | |
10629 <param name="adv_opts_selector" value="advanced"/> | |
10630 <param name="force" value="false"/> | |
10631 <param name="test" value="true"/> | |
10632 </conditional> | |
10633 <param name="in" value="FileInfo_13_input.consensusXML"/> | |
10634 <param name="m" value="false"/> | |
10635 <param name="p" value="false"/> | |
10636 <param name="s" value="false"/> | |
10637 <param name="d" value="false"/> | |
10638 <param name="c" value="false"/> | |
10639 <param name="v" value="false"/> | |
10640 <param name="i" value="false"/> | |
10641 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10642 <output name="ctd_out" ftype="xml"> | |
10643 <assert_contents> | |
10644 <is_valid_xml/> | |
10645 </assert_contents> | |
10646 </output> | |
10647 </test> | |
10648 <test expect_num_outputs="2"> | |
10649 <conditional name="adv_opts_cond"> | |
10650 <param name="adv_opts_selector" value="advanced"/> | |
10651 <param name="force" value="false"/> | |
10652 <param name="test" value="true"/> | |
10653 </conditional> | |
10654 <param name="in" value="FileInfo_14_input.mzid"/> | |
10655 <output name="out" file="FileInfo_14_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10656 <param name="m" value="false"/> | |
10657 <param name="p" value="false"/> | |
10658 <param name="s" value="false"/> | |
10659 <param name="d" value="false"/> | |
10660 <param name="c" value="false"/> | |
10661 <param name="v" value="true"/> | |
10662 <param name="i" value="false"/> | |
10663 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10664 <output name="ctd_out" ftype="xml"> | |
10665 <assert_contents> | |
10666 <is_valid_xml/> | |
10667 </assert_contents> | |
10668 </output> | |
10669 </test> | |
10670 <test expect_num_outputs="2"> | |
10671 <conditional name="adv_opts_cond"> | |
10672 <param name="adv_opts_selector" value="advanced"/> | |
10673 <param name="force" value="false"/> | |
10674 <param name="test" value="true"/> | |
10675 </conditional> | |
10676 <param name="in" value="FileInfo_15_input.mzid"/> | |
10677 <output name="out" file="FileInfo_15_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10678 <param name="m" value="false"/> | |
10679 <param name="p" value="false"/> | |
10680 <param name="s" value="false"/> | |
10681 <param name="d" value="false"/> | |
10682 <param name="c" value="false"/> | |
10683 <param name="v" value="true"/> | |
10684 <param name="i" value="false"/> | |
10685 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10686 <output name="ctd_out" ftype="xml"> | |
10687 <assert_contents> | |
10688 <is_valid_xml/> | |
10689 </assert_contents> | |
10690 </output> | |
10691 </test> | |
10692 <test expect_num_outputs="2"> | |
10693 <conditional name="adv_opts_cond"> | |
10694 <param name="adv_opts_selector" value="advanced"/> | |
10695 <param name="force" value="false"/> | |
10696 <param name="test" value="true"/> | |
10697 </conditional> | |
10698 <param name="in" value="FileInfo_16_input.trafoXML"/> | |
10699 <output name="out" file="FileInfo_16_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10700 <param name="m" value="false"/> | |
10701 <param name="p" value="false"/> | |
10702 <param name="s" value="false"/> | |
10703 <param name="d" value="false"/> | |
10704 <param name="c" value="false"/> | |
10705 <param name="v" value="false"/> | |
10706 <param name="i" value="false"/> | |
10707 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10708 <output name="ctd_out" ftype="xml"> | |
10709 <assert_contents> | |
10710 <is_valid_xml/> | |
10711 </assert_contents> | |
10712 </output> | |
10713 </test> | |
10714 <test expect_num_outputs="2"> | |
10715 <conditional name="adv_opts_cond"> | |
10716 <param name="adv_opts_selector" value="advanced"/> | |
10717 <param name="force" value="false"/> | |
10718 <param name="test" value="true"/> | |
10719 </conditional> | |
10720 <param name="in" value="FileInfo_17_input.fasta"/> | |
10721 <output name="out" file="FileInfo_17_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10722 <param name="m" value="false"/> | |
10723 <param name="p" value="false"/> | |
10724 <param name="s" value="false"/> | |
10725 <param name="d" value="false"/> | |
10726 <param name="c" value="false"/> | |
10727 <param name="v" value="false"/> | |
10728 <param name="i" value="false"/> | |
10729 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10730 <output name="ctd_out" ftype="xml"> | |
10731 <assert_contents> | |
10732 <is_valid_xml/> | |
10733 </assert_contents> | |
10734 </output> | |
10735 </test> | |
10736 <test expect_num_outputs="2"> | |
10737 <conditional name="adv_opts_cond"> | |
10738 <param name="adv_opts_selector" value="advanced"/> | |
10739 <param name="force" value="false"/> | |
10740 <param name="test" value="true"/> | |
10741 </conditional> | |
10742 <param name="in" value="FileInfo_18_input.fasta"/> | |
10743 <output name="out" file="FileInfo_18_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10744 <param name="m" value="false"/> | |
10745 <param name="p" value="false"/> | |
10746 <param name="s" value="false"/> | |
10747 <param name="d" value="false"/> | |
10748 <param name="c" value="false"/> | |
10749 <param name="v" value="false"/> | |
10750 <param name="i" value="false"/> | |
10751 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10752 <output name="ctd_out" ftype="xml"> | |
10753 <assert_contents> | |
10754 <is_valid_xml/> | |
10755 </assert_contents> | |
10756 </output> | |
10757 </test> | |
10758 </xml> | |
10759 <xml name="autotest_FileMerger"> | |
10760 <test expect_num_outputs="2"> | |
10761 <conditional name="adv_opts_cond"> | |
10762 <param name="adv_opts_selector" value="advanced"/> | |
10763 <param name="force" value="false"/> | |
10764 <param name="test" value="true"/> | |
10765 </conditional> | |
10766 <param name="in" value="FileMerger_2_input1.dta,FileMerger_2_input2.dta" ftype="dta"/> | |
10767 <param name="out_type" value="mzML"/> | |
10768 <output name="out" file="FileMerger_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10769 <param name="annotate_file_origin" value="false"/> | |
10770 <param name="append_method" value="append_rows"/> | |
10771 <section name="rt_concat"> | |
10772 <param name="gap" value="0.0"/> | |
10773 </section> | |
10774 <section name="raw"> | |
10775 <param name="rt_auto" value="false"/> | |
10776 <param name="rt_custom" value="5.0 10.0"/> | |
10777 <param name="rt_filename" value="false"/> | |
10778 <param name="ms_level" value="0"/> | |
10779 </section> | |
10780 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10781 <output name="ctd_out" ftype="xml"> | |
10782 <assert_contents> | |
10783 <is_valid_xml/> | |
10784 </assert_contents> | |
10785 </output> | |
10786 </test> | |
10787 <test expect_num_outputs="2"> | |
10788 <conditional name="adv_opts_cond"> | |
10789 <param name="adv_opts_selector" value="advanced"/> | |
10790 <param name="force" value="false"/> | |
10791 <param name="test" value="true"/> | |
10792 </conditional> | |
10793 <param name="in" value="FileMerger_3_input1.dta,FileMerger_3_input2.dta" ftype="dta"/> | |
10794 <param name="out_type" value="mzML"/> | |
10795 <output name="out" file="FileMerger_3_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10796 <param name="annotate_file_origin" value="false"/> | |
10797 <param name="append_method" value="append_rows"/> | |
10798 <section name="rt_concat"> | |
10799 <param name="gap" value="0.0"/> | |
10800 </section> | |
10801 <section name="raw"> | |
10802 <param name="rt_auto" value="true"/> | |
10803 <param name="rt_custom" value=""/> | |
10804 <param name="rt_filename" value="false"/> | |
10805 <param name="ms_level" value="0"/> | |
10806 </section> | |
10807 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10808 <output name="ctd_out" ftype="xml"> | |
10809 <assert_contents> | |
10810 <is_valid_xml/> | |
10811 </assert_contents> | |
10812 </output> | |
10813 </test> | |
10814 <test expect_num_outputs="2"> | |
10815 <conditional name="adv_opts_cond"> | |
10816 <param name="adv_opts_selector" value="advanced"/> | |
10817 <param name="force" value="false"/> | |
10818 <param name="test" value="true"/> | |
10819 </conditional> | |
10820 <param name="in" value="FileMerger_4_input1.dta2d,FileMerger_4_input2.dta2d" ftype="dta2d"/> | |
10821 <param name="out_type" value="mzML"/> | |
10822 <output name="out" file="FileMerger_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10823 <param name="annotate_file_origin" value="false"/> | |
10824 <param name="append_method" value="append_rows"/> | |
10825 <section name="rt_concat"> | |
10826 <param name="gap" value="0.0"/> | |
10827 </section> | |
10828 <section name="raw"> | |
10829 <param name="rt_auto" value="false"/> | |
10830 <param name="rt_custom" value=""/> | |
10831 <param name="rt_filename" value="false"/> | |
10832 <param name="ms_level" value="0"/> | |
10833 </section> | |
10834 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10835 <output name="ctd_out" ftype="xml"> | |
10836 <assert_contents> | |
10837 <is_valid_xml/> | |
10838 </assert_contents> | |
10839 </output> | |
10840 </test> | |
10841 <test expect_num_outputs="2"> | |
10842 <conditional name="adv_opts_cond"> | |
10843 <param name="adv_opts_selector" value="advanced"/> | |
10844 <param name="force" value="false"/> | |
10845 <param name="test" value="true"/> | |
10846 </conditional> | |
10847 <param name="in" value="FileMerger_5_input_rt1023.331.dta,FileMerger_5_input_rt2044.334.dta,FileMerger_5_input_rt889.32.dta" ftype="dta"/> | |
10848 <param name="out_type" value="mzML"/> | |
10849 <output name="out" file="FileMerger_5_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10850 <param name="annotate_file_origin" value="false"/> | |
10851 <param name="append_method" value="append_rows"/> | |
10852 <section name="rt_concat"> | |
10853 <param name="gap" value="0.0"/> | |
10854 </section> | |
10855 <section name="raw"> | |
10856 <param name="rt_auto" value="false"/> | |
10857 <param name="rt_custom" value=""/> | |
10858 <param name="rt_filename" value="true"/> | |
10859 <param name="ms_level" value="2"/> | |
10860 </section> | |
10861 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10862 <output name="ctd_out" ftype="xml"> | |
10863 <assert_contents> | |
10864 <is_valid_xml/> | |
10865 </assert_contents> | |
10866 </output> | |
10867 </test> | |
10868 <test expect_num_outputs="2"> | |
10869 <conditional name="adv_opts_cond"> | |
10870 <param name="adv_opts_selector" value="advanced"/> | |
10871 <param name="force" value="false"/> | |
10872 <param name="test" value="true"/> | |
10873 </conditional> | |
10874 <param name="in" value="FileMerger_6_input1.mzML,FileMerger_6_input2.mzML"/> | |
10875 <param name="out_type" value="mzML"/> | |
10876 <output name="out" file="FileMerger_6_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10877 <param name="annotate_file_origin" value="false"/> | |
10878 <param name="append_method" value="append_rows"/> | |
10879 <section name="rt_concat"> | |
10880 <param name="gap" value="0.0"/> | |
10881 </section> | |
10882 <section name="raw"> | |
10883 <param name="rt_auto" value="false"/> | |
10884 <param name="rt_custom" value=""/> | |
10885 <param name="rt_filename" value="false"/> | |
10886 <param name="ms_level" value="0"/> | |
10887 </section> | |
10888 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10889 <output name="ctd_out" ftype="xml"> | |
10890 <assert_contents> | |
10891 <is_valid_xml/> | |
10892 </assert_contents> | |
10893 </output> | |
10894 </test> | |
10895 <test expect_num_outputs="2"> | |
10896 <conditional name="adv_opts_cond"> | |
10897 <param name="adv_opts_selector" value="advanced"/> | |
10898 <param name="force" value="false"/> | |
10899 <param name="test" value="true"/> | |
10900 </conditional> | |
10901 <param name="in" value="FileMerger_7_input1.featureXML,FileMerger_7_input2.featureXML"/> | |
10902 <param name="out_type" value="featureXML"/> | |
10903 <output name="out" file="FileMerger_7_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
10904 <param name="annotate_file_origin" value="false"/> | |
10905 <param name="append_method" value="append_rows"/> | |
10906 <section name="rt_concat"> | |
10907 <param name="gap" value="0.0"/> | |
10908 </section> | |
10909 <section name="raw"> | |
10910 <param name="rt_auto" value="false"/> | |
10911 <param name="rt_custom" value=""/> | |
10912 <param name="rt_filename" value="false"/> | |
10913 <param name="ms_level" value="0"/> | |
10914 </section> | |
10915 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10916 <output name="ctd_out" ftype="xml"> | |
10917 <assert_contents> | |
10918 <is_valid_xml/> | |
10919 </assert_contents> | |
10920 </output> | |
10921 </test> | |
10922 <test expect_num_outputs="2"> | |
10923 <conditional name="adv_opts_cond"> | |
10924 <param name="adv_opts_selector" value="advanced"/> | |
10925 <param name="force" value="false"/> | |
10926 <param name="test" value="true"/> | |
10927 </conditional> | |
10928 <param name="in" value="FileMerger_8_input1.consensusXML,FileMerger_8_input2.consensusXML"/> | |
10929 <param name="out_type" value="consensusXML"/> | |
10930 <output name="out" file="FileMerger_8_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
10931 <param name="annotate_file_origin" value="false"/> | |
10932 <param name="append_method" value="append_rows"/> | |
10933 <section name="rt_concat"> | |
10934 <param name="gap" value="0.0"/> | |
10935 </section> | |
10936 <section name="raw"> | |
10937 <param name="rt_auto" value="false"/> | |
10938 <param name="rt_custom" value=""/> | |
10939 <param name="rt_filename" value="false"/> | |
10940 <param name="ms_level" value="0"/> | |
10941 </section> | |
10942 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10943 <output name="ctd_out" ftype="xml"> | |
10944 <assert_contents> | |
10945 <is_valid_xml/> | |
10946 </assert_contents> | |
10947 </output> | |
10948 </test> | |
10949 <test expect_num_outputs="2"> | |
10950 <conditional name="adv_opts_cond"> | |
10951 <param name="adv_opts_selector" value="advanced"/> | |
10952 <param name="force" value="false"/> | |
10953 <param name="test" value="true"/> | |
10954 </conditional> | |
10955 <param name="in" value="FileMerger_9_input1.traML,FileMerger_9_input2.traML"/> | |
10956 <param name="out_type" value="traML"/> | |
10957 <output name="out" file="FileMerger_9_output.traML" compare="sim_size" delta="5700" ftype="traml"/> | |
10958 <param name="annotate_file_origin" value="false"/> | |
10959 <param name="append_method" value="append_rows"/> | |
10960 <section name="rt_concat"> | |
10961 <param name="gap" value="0.0"/> | |
10962 </section> | |
10963 <section name="raw"> | |
10964 <param name="rt_auto" value="false"/> | |
10965 <param name="rt_custom" value=""/> | |
10966 <param name="rt_filename" value="false"/> | |
10967 <param name="ms_level" value="0"/> | |
10968 </section> | |
10969 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10970 <output name="ctd_out" ftype="xml"> | |
10971 <assert_contents> | |
10972 <is_valid_xml/> | |
10973 </assert_contents> | |
10974 </output> | |
10975 </test> | |
10976 <test expect_num_outputs="3"> | |
10977 <conditional name="adv_opts_cond"> | |
10978 <param name="adv_opts_selector" value="advanced"/> | |
10979 <param name="force" value="false"/> | |
10980 <param name="test" value="true"/> | |
10981 </conditional> | |
10982 <param name="in" value="FileMerger_6_input2.mzML,FileMerger_6_input2_2.mzML"/> | |
10983 <param name="out_type" value="mzML"/> | |
10984 <output name="out" file="FileMerger_10_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10985 <param name="annotate_file_origin" value="false"/> | |
10986 <param name="append_method" value="append_rows"/> | |
10987 <section name="rt_concat"> | |
10988 <param name="gap" value="10.0"/> | |
10989 </section> | |
10990 <output_collection name="rt_concat_trafo_out" count="2"/> | |
10991 <section name="raw"> | |
10992 <param name="rt_auto" value="false"/> | |
10993 <param name="rt_custom" value=""/> | |
10994 <param name="rt_filename" value="false"/> | |
10995 <param name="ms_level" value="0"/> | |
10996 </section> | |
10997 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
10998 <output name="ctd_out" ftype="xml"> | |
10999 <assert_contents> | |
11000 <is_valid_xml/> | |
11001 </assert_contents> | |
11002 </output> | |
11003 </test> | |
11004 <test expect_num_outputs="2"> | |
11005 <conditional name="adv_opts_cond"> | |
11006 <param name="adv_opts_selector" value="advanced"/> | |
11007 <param name="force" value="false"/> | |
11008 <param name="test" value="true"/> | |
11009 </conditional> | |
11010 <param name="in" value="FileMerger_8_input1.consensusXML,FileMerger_8_input2.consensusXML"/> | |
11011 <param name="out_type" value="consensusXML"/> | |
11012 <output name="out" file="FileMerger_11_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
11013 <param name="annotate_file_origin" value="false"/> | |
11014 <param name="append_method" value="append_cols"/> | |
11015 <section name="rt_concat"> | |
11016 <param name="gap" value="0.0"/> | |
11017 </section> | |
11018 <section name="raw"> | |
11019 <param name="rt_auto" value="false"/> | |
11020 <param name="rt_custom" value=""/> | |
11021 <param name="rt_filename" value="false"/> | |
11022 <param name="ms_level" value="0"/> | |
11023 </section> | |
11024 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11025 <output name="ctd_out" ftype="xml"> | |
11026 <assert_contents> | |
11027 <is_valid_xml/> | |
11028 </assert_contents> | |
11029 </output> | |
11030 </test> | |
11031 </xml> | |
11032 <xml name="autotest_FuzzyDiff"> | |
11033 <test expect_num_outputs="1"> | |
11034 <conditional name="adv_opts_cond"> | |
11035 <param name="adv_opts_selector" value="advanced"/> | |
11036 <param name="whitelist" value=""<?xml-stylesheet""/> | |
11037 <param name="matched_whitelist" value=""/> | |
11038 <param name="force" value="false"/> | |
11039 <param name="test" value="true"/> | |
11040 </conditional> | |
11041 <param name="in1" value="FuzzyDiff_3_in1.featureXML"/> | |
11042 <param name="in2" value="FuzzyDiff_3_in2.featureXML"/> | |
11043 <param name="ratio" value="1.01"/> | |
11044 <param name="absdiff" value="0.01"/> | |
11045 <param name="verbose" value="1"/> | |
11046 <param name="tab_width" value="8"/> | |
11047 <param name="first_column" value="1"/> | |
11048 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11049 <output name="ctd_out" ftype="xml"> | |
11050 <assert_contents> | |
11051 <is_valid_xml/> | |
11052 </assert_contents> | |
11053 </output> | |
11054 </test> | |
11055 </xml> | |
11056 <xml name="autotest_GNPSExport"> | |
11057 <test expect_num_outputs="2"> | |
11058 <conditional name="adv_opts_cond"> | |
11059 <param name="adv_opts_selector" value="advanced"/> | |
11060 <param name="force" value="false"/> | |
11061 <param name="test" value="true"/> | |
11062 </conditional> | |
11063 <param name="in_cm" value="GNPSExport_single.consensusXML"/> | |
11064 <param name="in_mzml" value="GNPSExport_mz1.mzML"/> | |
11065 <output name="out" file="GNPSExport_1_out.mgf" compare="sim_size" delta="5700" ftype="mgf"/> | |
11066 <param name="output_type" value="full_spectra"/> | |
11067 <param name="precursor_mz_tolerance" value="0.0001"/> | |
11068 <param name="precursor_rt_tolerance" value="5.0"/> | |
11069 <section name="merged_spectra"> | |
11070 <param name="cos_similarity" value="0.95"/> | |
11071 </section> | |
11072 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11073 <output name="ctd_out" ftype="xml"> | |
11074 <assert_contents> | |
11075 <is_valid_xml/> | |
11076 </assert_contents> | |
11077 </output> | |
11078 </test> | |
11079 <test expect_num_outputs="2"> | |
11080 <conditional name="adv_opts_cond"> | |
11081 <param name="adv_opts_selector" value="advanced"/> | |
11082 <param name="force" value="false"/> | |
11083 <param name="test" value="true"/> | |
11084 </conditional> | |
11085 <param name="in_cm" value="GNPSExport_single.consensusXML"/> | |
11086 <param name="in_mzml" value="GNPSExport_mz1.mzML"/> | |
11087 <output name="out" file="GNPSExport_2_out.mgf" compare="sim_size" delta="5700" ftype="mgf"/> | |
11088 <param name="output_type" value="merged_spectra"/> | |
11089 <param name="precursor_mz_tolerance" value="0.0001"/> | |
11090 <param name="precursor_rt_tolerance" value="5.0"/> | |
11091 <section name="merged_spectra"> | |
11092 <param name="cos_similarity" value="0.95"/> | |
11093 </section> | |
11094 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11095 <output name="ctd_out" ftype="xml"> | |
11096 <assert_contents> | |
11097 <is_valid_xml/> | |
11098 </assert_contents> | |
11099 </output> | |
11100 </test> | |
11101 <test expect_num_outputs="2"> | |
11102 <conditional name="adv_opts_cond"> | |
11103 <param name="adv_opts_selector" value="advanced"/> | |
11104 <param name="force" value="false"/> | |
11105 <param name="test" value="true"/> | |
11106 </conditional> | |
11107 <param name="in_cm" value="GNPSExport_merged.consensusXML"/> | |
11108 <param name="in_mzml" value="GNPSExport_mz1.mzML,GNPSExport_mz2.mzML"/> | |
11109 <output name="out" file="GNPSExport_3_out.mgf" compare="sim_size" delta="5700" ftype="mgf"/> | |
11110 <param name="output_type" value="full_spectra"/> | |
11111 <param name="precursor_mz_tolerance" value="0.0001"/> | |
11112 <param name="precursor_rt_tolerance" value="5.0"/> | |
11113 <section name="merged_spectra"> | |
11114 <param name="cos_similarity" value="0.95"/> | |
11115 </section> | |
11116 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11117 <output name="ctd_out" ftype="xml"> | |
11118 <assert_contents> | |
11119 <is_valid_xml/> | |
11120 </assert_contents> | |
11121 </output> | |
11122 </test> | |
11123 <test expect_num_outputs="2"> | |
11124 <conditional name="adv_opts_cond"> | |
11125 <param name="adv_opts_selector" value="advanced"/> | |
11126 <param name="force" value="false"/> | |
11127 <param name="test" value="true"/> | |
11128 </conditional> | |
11129 <param name="in_cm" value="GNPSExport_merged.consensusXML"/> | |
11130 <param name="in_mzml" value="GNPSExport_mz1.mzML,GNPSExport_mz2.mzML"/> | |
11131 <output name="out" file="GNPSExport_4_out.mgf" compare="sim_size" delta="5700" ftype="mgf"/> | |
11132 <param name="output_type" value="full_spectra"/> | |
11133 <param name="precursor_mz_tolerance" value="0.0001"/> | |
11134 <param name="precursor_rt_tolerance" value="5.0"/> | |
11135 <section name="merged_spectra"> | |
11136 <param name="cos_similarity" value="0.95"/> | |
11137 </section> | |
11138 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11139 <output name="ctd_out" ftype="xml"> | |
11140 <assert_contents> | |
11141 <is_valid_xml/> | |
11142 </assert_contents> | |
11143 </output> | |
11144 </test> | |
11145 </xml> | |
11146 <xml name="autotest_HighResPrecursorMassCorrector"> | |
11147 <test expect_num_outputs="2"> | |
11148 <conditional name="adv_opts_cond"> | |
11149 <param name="adv_opts_selector" value="advanced"/> | |
11150 <param name="force" value="false"/> | |
11151 <param name="test" value="true"/> | |
11152 </conditional> | |
11153 <param name="in" value="HighResPrecursorMassCorrector_2860_1103_3.mzML"/> | |
11154 <output name="out" file="HighResPrecursorMassCorrector_2860_1103_3_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
11155 <section name="feature"> | |
11156 <param name="in" value="HighResPrecursorMassCorrector_2860_1103_3.featureXML"/> | |
11157 <param name="mz_tolerance" value="5.0"/> | |
11158 <param name="mz_tolerance_unit" value="ppm"/> | |
11159 <param name="rt_tolerance" value="0.0"/> | |
11160 <param name="max_trace" value="2"/> | |
11161 <param name="believe_charge" value="false"/> | |
11162 <param name="keep_original" value="false"/> | |
11163 <param name="assign_all_matching" value="false"/> | |
11164 </section> | |
11165 <section name="nearest_peak"> | |
11166 <param name="mz_tolerance" value="0.0"/> | |
11167 <param name="mz_tolerance_unit" value="ppm"/> | |
11168 </section> | |
11169 <section name="highest_intensity_peak"> | |
11170 <param name="mz_tolerance" value="0.0"/> | |
11171 <param name="mz_tolerance_unit" value="ppm"/> | |
11172 </section> | |
11173 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11174 <output name="ctd_out" ftype="xml"> | |
11175 <assert_contents> | |
11176 <is_valid_xml/> | |
11177 </assert_contents> | |
11178 </output> | |
11179 </test> | |
11180 <test expect_num_outputs="2"> | |
11181 <conditional name="adv_opts_cond"> | |
11182 <param name="adv_opts_selector" value="advanced"/> | |
11183 <param name="force" value="false"/> | |
11184 <param name="test" value="true"/> | |
11185 </conditional> | |
11186 <param name="in" value="HighResPrecursorMassCorrector_1035_1178_4.mzML"/> | |
11187 <output name="out" file="HighResPrecursorMassCorrector_1035_1178_4_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
11188 <section name="feature"> | |
11189 <param name="in" value="HighResPrecursorMassCorrector_1035_1178_4.featureXML"/> | |
11190 <param name="mz_tolerance" value="10.0"/> | |
11191 <param name="mz_tolerance_unit" value="ppm"/> | |
11192 <param name="rt_tolerance" value="0.0"/> | |
11193 <param name="max_trace" value="4"/> | |
11194 <param name="believe_charge" value="false"/> | |
11195 <param name="keep_original" value="false"/> | |
11196 <param name="assign_all_matching" value="false"/> | |
11197 </section> | |
11198 <section name="nearest_peak"> | |
11199 <param name="mz_tolerance" value="0.0"/> | |
11200 <param name="mz_tolerance_unit" value="ppm"/> | |
11201 </section> | |
11202 <section name="highest_intensity_peak"> | |
11203 <param name="mz_tolerance" value="0.0"/> | |
11204 <param name="mz_tolerance_unit" value="ppm"/> | |
11205 </section> | |
11206 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11207 <output name="ctd_out" ftype="xml"> | |
11208 <assert_contents> | |
11209 <is_valid_xml/> | |
11210 </assert_contents> | |
11211 </output> | |
11212 </test> | |
11213 <test expect_num_outputs="2"> | |
11214 <conditional name="adv_opts_cond"> | |
11215 <param name="adv_opts_selector" value="advanced"/> | |
11216 <param name="force" value="false"/> | |
11217 <param name="test" value="true"/> | |
11218 </conditional> | |
11219 <param name="in" value="HighResPrecursorMassCorrector_2538_1091_2.mzML"/> | |
11220 <output name="out" file="HighResPrecursorMassCorrector_2538_1091_2_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
11221 <section name="feature"> | |
11222 <param name="in" value="HighResPrecursorMassCorrector_2538_1091_2.featureXML"/> | |
11223 <param name="mz_tolerance" value="5.0"/> | |
11224 <param name="mz_tolerance_unit" value="ppm"/> | |
11225 <param name="rt_tolerance" value="0.0"/> | |
11226 <param name="max_trace" value="2"/> | |
11227 <param name="believe_charge" value="false"/> | |
11228 <param name="keep_original" value="false"/> | |
11229 <param name="assign_all_matching" value="false"/> | |
11230 </section> | |
11231 <section name="nearest_peak"> | |
11232 <param name="mz_tolerance" value="0.0"/> | |
11233 <param name="mz_tolerance_unit" value="ppm"/> | |
11234 </section> | |
11235 <section name="highest_intensity_peak"> | |
11236 <param name="mz_tolerance" value="0.0"/> | |
11237 <param name="mz_tolerance_unit" value="ppm"/> | |
11238 </section> | |
11239 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11240 <output name="ctd_out" ftype="xml"> | |
11241 <assert_contents> | |
11242 <is_valid_xml/> | |
11243 </assert_contents> | |
11244 </output> | |
11245 </test> | |
11246 <test expect_num_outputs="2"> | |
11247 <conditional name="adv_opts_cond"> | |
11248 <param name="adv_opts_selector" value="advanced"/> | |
11249 <param name="force" value="false"/> | |
11250 <param name="test" value="true"/> | |
11251 </conditional> | |
11252 <param name="in" value="HighResPrecursorMassCorrector_2810_1091_3.mzML"/> | |
11253 <output name="out" file="HighResPrecursorMassCorrector_2810_1091_3_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
11254 <section name="feature"> | |
11255 <param name="in" value="HighResPrecursorMassCorrector_2810_1091_3.featureXML"/> | |
11256 <param name="mz_tolerance" value="5.0"/> | |
11257 <param name="mz_tolerance_unit" value="ppm"/> | |
11258 <param name="rt_tolerance" value="0.0"/> | |
11259 <param name="max_trace" value="2"/> | |
11260 <param name="believe_charge" value="false"/> | |
11261 <param name="keep_original" value="false"/> | |
11262 <param name="assign_all_matching" value="false"/> | |
11263 </section> | |
11264 <section name="nearest_peak"> | |
11265 <param name="mz_tolerance" value="0.0"/> | |
11266 <param name="mz_tolerance_unit" value="ppm"/> | |
11267 </section> | |
11268 <section name="highest_intensity_peak"> | |
11269 <param name="mz_tolerance" value="0.0"/> | |
11270 <param name="mz_tolerance_unit" value="ppm"/> | |
11271 </section> | |
11272 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11273 <output name="ctd_out" ftype="xml"> | |
11274 <assert_contents> | |
11275 <is_valid_xml/> | |
11276 </assert_contents> | |
11277 </output> | |
11278 </test> | |
11279 <test expect_num_outputs="2"> | |
11280 <conditional name="adv_opts_cond"> | |
11281 <param name="adv_opts_selector" value="advanced"/> | |
11282 <param name="force" value="false"/> | |
11283 <param name="test" value="true"/> | |
11284 </conditional> | |
11285 <param name="in" value="HighResPrecursorMassCorrector_3070_1191_3.mzML"/> | |
11286 <output name="out" file="HighResPrecursorMassCorrector_3070_1191_3_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
11287 <section name="feature"> | |
11288 <param name="in" value="HighResPrecursorMassCorrector_3070_1191_3.featureXML"/> | |
11289 <param name="mz_tolerance" value="5.0"/> | |
11290 <param name="mz_tolerance_unit" value="ppm"/> | |
11291 <param name="rt_tolerance" value="0.0"/> | |
11292 <param name="max_trace" value="2"/> | |
11293 <param name="believe_charge" value="false"/> | |
11294 <param name="keep_original" value="false"/> | |
11295 <param name="assign_all_matching" value="false"/> | |
11296 </section> | |
11297 <section name="nearest_peak"> | |
11298 <param name="mz_tolerance" value="0.0"/> | |
11299 <param name="mz_tolerance_unit" value="ppm"/> | |
11300 </section> | |
11301 <section name="highest_intensity_peak"> | |
11302 <param name="mz_tolerance" value="0.0"/> | |
11303 <param name="mz_tolerance_unit" value="ppm"/> | |
11304 </section> | |
11305 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11306 <output name="ctd_out" ftype="xml"> | |
11307 <assert_contents> | |
11308 <is_valid_xml/> | |
11309 </assert_contents> | |
11310 </output> | |
11311 </test> | |
11312 <test expect_num_outputs="2"> | |
11313 <conditional name="adv_opts_cond"> | |
11314 <param name="adv_opts_selector" value="advanced"/> | |
11315 <param name="force" value="false"/> | |
11316 <param name="test" value="true"/> | |
11317 </conditional> | |
11318 <param name="in" value="HighResPrecursorMassCorrector_6.mzML"/> | |
11319 <output name="out" file="HighResPrecursorMassCorrector_6_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
11320 <section name="feature"> | |
11321 <param name="mz_tolerance" value="5.0"/> | |
11322 <param name="mz_tolerance_unit" value="ppm"/> | |
11323 <param name="rt_tolerance" value="0.0"/> | |
11324 <param name="max_trace" value="2"/> | |
11325 <param name="believe_charge" value="false"/> | |
11326 <param name="keep_original" value="false"/> | |
11327 <param name="assign_all_matching" value="false"/> | |
11328 </section> | |
11329 <section name="nearest_peak"> | |
11330 <param name="mz_tolerance" value="0.0"/> | |
11331 <param name="mz_tolerance_unit" value="ppm"/> | |
11332 </section> | |
11333 <section name="highest_intensity_peak"> | |
11334 <param name="mz_tolerance" value="0.2"/> | |
11335 <param name="mz_tolerance_unit" value="ppm"/> | |
11336 </section> | |
11337 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11338 <output name="ctd_out" ftype="xml"> | |
11339 <assert_contents> | |
11340 <is_valid_xml/> | |
11341 </assert_contents> | |
11342 </output> | |
11343 </test> | |
11344 </xml> | |
11345 <xml name="autotest_IDConflictResolver"> | |
11346 <test expect_num_outputs="2"> | |
11347 <conditional name="adv_opts_cond"> | |
11348 <param name="adv_opts_selector" value="advanced"/> | |
11349 <param name="force" value="false"/> | |
11350 <param name="test" value="true"/> | |
11351 </conditional> | |
11352 <param name="in" value="IDConflictResolver_1_input.featureXML"/> | |
11353 <output name="out" file="IDConflictResolver_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
11354 <param name="resolve_between_features" value="off"/> | |
11355 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11356 <output name="ctd_out" ftype="xml"> | |
11357 <assert_contents> | |
11358 <is_valid_xml/> | |
11359 </assert_contents> | |
11360 </output> | |
11361 </test> | |
11362 <test expect_num_outputs="2"> | |
11363 <conditional name="adv_opts_cond"> | |
11364 <param name="adv_opts_selector" value="advanced"/> | |
11365 <param name="force" value="false"/> | |
11366 <param name="test" value="true"/> | |
11367 </conditional> | |
11368 <param name="in" value="IDConflictResolver_2_input.consensusXML"/> | |
11369 <output name="out" file="IDConflictResolver_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
11370 <param name="resolve_between_features" value="off"/> | |
11371 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11372 <output name="ctd_out" ftype="xml"> | |
11373 <assert_contents> | |
11374 <is_valid_xml/> | |
11375 </assert_contents> | |
11376 </output> | |
11377 </test> | |
11378 <test expect_num_outputs="2"> | |
11379 <conditional name="adv_opts_cond"> | |
11380 <param name="adv_opts_selector" value="advanced"/> | |
11381 <param name="force" value="false"/> | |
11382 <param name="test" value="true"/> | |
11383 </conditional> | |
11384 <param name="in" value="IDConflictResolver_3_input.consensusXML"/> | |
11385 <output name="out" file="IDConflictResolver_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
11386 <param name="resolve_between_features" value="off"/> | |
11387 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11388 <output name="ctd_out" ftype="xml"> | |
11389 <assert_contents> | |
11390 <is_valid_xml/> | |
11391 </assert_contents> | |
11392 </output> | |
11393 </test> | |
11394 <test expect_num_outputs="2"> | |
11395 <conditional name="adv_opts_cond"> | |
11396 <param name="adv_opts_selector" value="advanced"/> | |
11397 <param name="force" value="false"/> | |
11398 <param name="test" value="true"/> | |
11399 </conditional> | |
11400 <param name="in" value="IDConflictResolver_4_input.featureXML"/> | |
11401 <output name="out" file="IDConflictResolver_4_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
11402 <param name="resolve_between_features" value="highest_intensity"/> | |
11403 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11404 <output name="ctd_out" ftype="xml"> | |
11405 <assert_contents> | |
11406 <is_valid_xml/> | |
11407 </assert_contents> | |
11408 </output> | |
11409 </test> | |
11410 </xml> | |
11411 <xml name="autotest_IDExtractor"> | |
11412 </xml> | |
11413 <xml name="autotest_IDFileConverter"> | |
11414 <test expect_num_outputs="2"> | |
11415 <conditional name="adv_opts_cond"> | |
11416 <param name="adv_opts_selector" value="advanced"/> | |
11417 <param name="ignore_proteins_per_peptide" value="false"/> | |
11418 <param name="scan_regex" value=""/> | |
11419 <param name="no_spectra_data_override" value="false"/> | |
11420 <param name="no_spectra_references_override" value="false"/> | |
11421 <param name="add_ionmatch_annotation" value="0.0"/> | |
11422 <param name="concatenate_peptides" value="false"/> | |
11423 <param name="number_of_hits" value="1"/> | |
11424 <param name="force" value="false"/> | |
11425 <param name="test" value="true"/> | |
11426 </conditional> | |
11427 <param name="in" value="IDFileConverter_1_input1.mascotXML"/> | |
11428 <output name="out" file="IDFileConverter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11429 <param name="out_type" value="idXML"/> | |
11430 <param name="mz_file" value="IDFileConverter_1_input2.mzML"/> | |
11431 <param name="mz_name" value=""/> | |
11432 <param name="peptideprophet_analyzed" value="false"/> | |
11433 <param name="score_type" value="qvalue"/> | |
11434 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11435 <output name="ctd_out" ftype="xml"> | |
11436 <assert_contents> | |
11437 <is_valid_xml/> | |
11438 </assert_contents> | |
11439 </output> | |
11440 </test> | |
11441 <test expect_num_outputs="2"> | |
11442 <conditional name="adv_opts_cond"> | |
11443 <param name="adv_opts_selector" value="advanced"/> | |
11444 <param name="ignore_proteins_per_peptide" value="false"/> | |
11445 <param name="scan_regex" value=""/> | |
11446 <param name="no_spectra_data_override" value="false"/> | |
11447 <param name="no_spectra_references_override" value="false"/> | |
11448 <param name="add_ionmatch_annotation" value="0.0"/> | |
11449 <param name="concatenate_peptides" value="false"/> | |
11450 <param name="number_of_hits" value="1"/> | |
11451 <param name="force" value="false"/> | |
11452 <param name="test" value="true"/> | |
11453 </conditional> | |
11454 <param name="in" value="PepXMLFile_test.pepxml"/> | |
11455 <output name="out" file="IDFileConverter_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11456 <param name="out_type" value="idXML"/> | |
11457 <param name="mz_file" value="PepXMLFile_test.mzML"/> | |
11458 <param name="mz_name" value="PepXMLFile_test"/> | |
11459 <param name="peptideprophet_analyzed" value="false"/> | |
11460 <param name="score_type" value="qvalue"/> | |
11461 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11462 <output name="ctd_out" ftype="xml"> | |
11463 <assert_contents> | |
11464 <is_valid_xml/> | |
11465 </assert_contents> | |
11466 </output> | |
11467 </test> | |
11468 <test expect_num_outputs="2"> | |
11469 <conditional name="adv_opts_cond"> | |
11470 <param name="adv_opts_selector" value="advanced"/> | |
11471 <param name="ignore_proteins_per_peptide" value="false"/> | |
11472 <param name="scan_regex" value=""/> | |
11473 <param name="no_spectra_data_override" value="false"/> | |
11474 <param name="no_spectra_references_override" value="false"/> | |
11475 <param name="add_ionmatch_annotation" value="0.0"/> | |
11476 <param name="concatenate_peptides" value="false"/> | |
11477 <param name="number_of_hits" value="1"/> | |
11478 <param name="force" value="false"/> | |
11479 <param name="test" value="true"/> | |
11480 </conditional> | |
11481 <param name="in" value="IDFileConverter_3_input.protXML"/> | |
11482 <output name="out" file="IDFileConverter_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11483 <param name="out_type" value="idXML"/> | |
11484 <param name="mz_name" value=""/> | |
11485 <param name="peptideprophet_analyzed" value="false"/> | |
11486 <param name="score_type" value="qvalue"/> | |
11487 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11488 <output name="ctd_out" ftype="xml"> | |
11489 <assert_contents> | |
11490 <is_valid_xml/> | |
11491 </assert_contents> | |
11492 </output> | |
11493 </test> | |
11494 <test expect_num_outputs="2"> | |
11495 <conditional name="adv_opts_cond"> | |
11496 <param name="adv_opts_selector" value="advanced"/> | |
11497 <param name="ignore_proteins_per_peptide" value="false"/> | |
11498 <param name="scan_regex" value="scan=(?<SCAN>\d+)"/> | |
11499 <param name="no_spectra_data_override" value="false"/> | |
11500 <param name="no_spectra_references_override" value="false"/> | |
11501 <param name="add_ionmatch_annotation" value="0.0"/> | |
11502 <param name="concatenate_peptides" value="false"/> | |
11503 <param name="number_of_hits" value="1"/> | |
11504 <param name="force" value="false"/> | |
11505 <param name="test" value="true"/> | |
11506 </conditional> | |
11507 <param name="in" value="IDFileConverter_1_input1.mascotXML"/> | |
11508 <output name="out" file="IDFileConverter_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11509 <param name="out_type" value="idXML"/> | |
11510 <param name="mz_file" value="IDFileConverter_1_input2.mzML"/> | |
11511 <param name="mz_name" value=""/> | |
11512 <param name="peptideprophet_analyzed" value="false"/> | |
11513 <param name="score_type" value="qvalue"/> | |
11514 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11515 <output name="ctd_out" ftype="xml"> | |
11516 <assert_contents> | |
11517 <is_valid_xml/> | |
11518 </assert_contents> | |
11519 </output> | |
11520 </test> | |
11521 <test expect_num_outputs="2"> | |
11522 <conditional name="adv_opts_cond"> | |
11523 <param name="adv_opts_selector" value="advanced"/> | |
11524 <param name="ignore_proteins_per_peptide" value="false"/> | |
11525 <param name="scan_regex" value=""/> | |
11526 <param name="no_spectra_data_override" value="false"/> | |
11527 <param name="no_spectra_references_override" value="false"/> | |
11528 <param name="add_ionmatch_annotation" value="0.0"/> | |
11529 <param name="concatenate_peptides" value="false"/> | |
11530 <param name="number_of_hits" value="1"/> | |
11531 <param name="force" value="false"/> | |
11532 <param name="test" value="true"/> | |
11533 </conditional> | |
11534 <param name="in" value="IDFileConverter_6_input1.pepXML"/> | |
11535 <output name="out" file="IDFileConverter_6_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11536 <param name="out_type" value="idXML"/> | |
11537 <param name="mz_file" value="IDFileConverter_1_input2.mzML"/> | |
11538 <param name="mz_name" value="F025589.dat.mzML"/> | |
11539 <param name="peptideprophet_analyzed" value="false"/> | |
11540 <param name="score_type" value="qvalue"/> | |
11541 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11542 <output name="ctd_out" ftype="xml"> | |
11543 <assert_contents> | |
11544 <is_valid_xml/> | |
11545 </assert_contents> | |
11546 </output> | |
11547 </test> | |
11548 <test expect_num_outputs="2"> | |
11549 <conditional name="adv_opts_cond"> | |
11550 <param name="adv_opts_selector" value="advanced"/> | |
11551 <param name="ignore_proteins_per_peptide" value="false"/> | |
11552 <param name="scan_regex" value=""/> | |
11553 <param name="no_spectra_data_override" value="false"/> | |
11554 <param name="no_spectra_references_override" value="false"/> | |
11555 <param name="add_ionmatch_annotation" value="0.0"/> | |
11556 <param name="concatenate_peptides" value="false"/> | |
11557 <param name="number_of_hits" value="1"/> | |
11558 <param name="force" value="false"/> | |
11559 <param name="test" value="true"/> | |
11560 </conditional> | |
11561 <param name="in" value="IDFileConverter_7_input1.xml"/> | |
11562 <output name="out" file="IDFileConverter_7_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11563 <param name="out_type" value="idXML"/> | |
11564 <param name="mz_name" value=""/> | |
11565 <param name="peptideprophet_analyzed" value="false"/> | |
11566 <param name="score_type" value="qvalue"/> | |
11567 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11568 <output name="ctd_out" ftype="xml"> | |
11569 <assert_contents> | |
11570 <is_valid_xml/> | |
11571 </assert_contents> | |
11572 </output> | |
11573 </test> | |
11574 <test expect_num_outputs="2"> | |
11575 <conditional name="adv_opts_cond"> | |
11576 <param name="adv_opts_selector" value="advanced"/> | |
11577 <param name="ignore_proteins_per_peptide" value="false"/> | |
11578 <param name="scan_regex" value=""/> | |
11579 <param name="no_spectra_data_override" value="false"/> | |
11580 <param name="no_spectra_references_override" value="false"/> | |
11581 <param name="add_ionmatch_annotation" value="0.0"/> | |
11582 <param name="concatenate_peptides" value="false"/> | |
11583 <param name="number_of_hits" value="1"/> | |
11584 <param name="force" value="false"/> | |
11585 <param name="test" value="true"/> | |
11586 </conditional> | |
11587 <param name="in" value="IDFileConverter_8_input.mzid"/> | |
11588 <output name="out" file="IDFileConverter_8_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11589 <param name="out_type" value="idXML"/> | |
11590 <param name="mz_name" value=""/> | |
11591 <param name="peptideprophet_analyzed" value="false"/> | |
11592 <param name="score_type" value="qvalue"/> | |
11593 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11594 <output name="ctd_out" ftype="xml"> | |
11595 <assert_contents> | |
11596 <is_valid_xml/> | |
11597 </assert_contents> | |
11598 </output> | |
11599 </test> | |
11600 <test expect_num_outputs="2"> | |
11601 <conditional name="adv_opts_cond"> | |
11602 <param name="adv_opts_selector" value="advanced"/> | |
11603 <param name="ignore_proteins_per_peptide" value="false"/> | |
11604 <param name="scan_regex" value=""/> | |
11605 <param name="no_spectra_data_override" value="false"/> | |
11606 <param name="no_spectra_references_override" value="false"/> | |
11607 <param name="add_ionmatch_annotation" value="0.0"/> | |
11608 <param name="concatenate_peptides" value="false"/> | |
11609 <param name="number_of_hits" value="1"/> | |
11610 <param name="force" value="false"/> | |
11611 <param name="test" value="true"/> | |
11612 </conditional> | |
11613 <param name="in" value="IDFileConverter_9_input.idXML"/> | |
11614 <output name="out" file="IDFileConverter_9_output.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
11615 <param name="out_type" value="mzid"/> | |
11616 <param name="mz_name" value=""/> | |
11617 <param name="peptideprophet_analyzed" value="false"/> | |
11618 <param name="score_type" value="qvalue"/> | |
11619 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11620 <output name="ctd_out" ftype="xml"> | |
11621 <assert_contents> | |
11622 <is_valid_xml/> | |
11623 </assert_contents> | |
11624 </output> | |
11625 </test> | |
11626 <test expect_num_outputs="2"> | |
11627 <conditional name="adv_opts_cond"> | |
11628 <param name="adv_opts_selector" value="advanced"/> | |
11629 <param name="ignore_proteins_per_peptide" value="false"/> | |
11630 <param name="scan_regex" value=""/> | |
11631 <param name="no_spectra_data_override" value="false"/> | |
11632 <param name="no_spectra_references_override" value="false"/> | |
11633 <param name="add_ionmatch_annotation" value="0.0"/> | |
11634 <param name="concatenate_peptides" value="false"/> | |
11635 <param name="number_of_hits" value="1"/> | |
11636 <param name="force" value="false"/> | |
11637 <param name="test" value="true"/> | |
11638 </conditional> | |
11639 <param name="in" value="IDFileConverter_10_input.pepXML"/> | |
11640 <output name="out" file="IDFileConverter_10_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11641 <param name="out_type" value="idXML"/> | |
11642 <param name="mz_name" value=""/> | |
11643 <param name="peptideprophet_analyzed" value="false"/> | |
11644 <param name="score_type" value="qvalue"/> | |
11645 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11646 <output name="ctd_out" ftype="xml"> | |
11647 <assert_contents> | |
11648 <is_valid_xml/> | |
11649 </assert_contents> | |
11650 </output> | |
11651 </test> | |
11652 <test expect_num_outputs="2"> | |
11653 <conditional name="adv_opts_cond"> | |
11654 <param name="adv_opts_selector" value="advanced"/> | |
11655 <param name="ignore_proteins_per_peptide" value="false"/> | |
11656 <param name="scan_regex" value=""/> | |
11657 <param name="no_spectra_data_override" value="false"/> | |
11658 <param name="no_spectra_references_override" value="false"/> | |
11659 <param name="add_ionmatch_annotation" value="0.0"/> | |
11660 <param name="concatenate_peptides" value="false"/> | |
11661 <param name="number_of_hits" value="1"/> | |
11662 <param name="force" value="false"/> | |
11663 <param name="test" value="true"/> | |
11664 </conditional> | |
11665 <param name="in" value="IDFileConverter_11_input.tsv" ftype="tabular"/> | |
11666 <output name="out" file="IDFileConverter_11_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11667 <param name="out_type" value="idXML"/> | |
11668 <param name="mz_name" value=""/> | |
11669 <param name="peptideprophet_analyzed" value="false"/> | |
11670 <param name="score_type" value="qvalue"/> | |
11671 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11672 <output name="ctd_out" ftype="xml"> | |
11673 <assert_contents> | |
11674 <is_valid_xml/> | |
11675 </assert_contents> | |
11676 </output> | |
11677 </test> | |
11678 <test expect_num_outputs="2"> | |
11679 <conditional name="adv_opts_cond"> | |
11680 <param name="adv_opts_selector" value="advanced"/> | |
11681 <param name="ignore_proteins_per_peptide" value="false"/> | |
11682 <param name="scan_regex" value=""/> | |
11683 <param name="no_spectra_data_override" value="false"/> | |
11684 <param name="no_spectra_references_override" value="false"/> | |
11685 <param name="add_ionmatch_annotation" value="0.0"/> | |
11686 <param name="concatenate_peptides" value="false"/> | |
11687 <param name="number_of_hits" value="1"/> | |
11688 <param name="force" value="false"/> | |
11689 <param name="test" value="true"/> | |
11690 </conditional> | |
11691 <param name="in" value="IDFileConverter_12_input.psms"/> | |
11692 <output name="out" file="IDFileConverter_12_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11693 <param name="out_type" value="idXML"/> | |
11694 <param name="mz_name" value=""/> | |
11695 <param name="peptideprophet_analyzed" value="false"/> | |
11696 <param name="score_type" value="qvalue"/> | |
11697 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11698 <output name="ctd_out" ftype="xml"> | |
11699 <assert_contents> | |
11700 <is_valid_xml/> | |
11701 </assert_contents> | |
11702 </output> | |
11703 </test> | |
11704 <test expect_num_outputs="2"> | |
11705 <conditional name="adv_opts_cond"> | |
11706 <param name="adv_opts_selector" value="advanced"/> | |
11707 <param name="ignore_proteins_per_peptide" value="false"/> | |
11708 <param name="scan_regex" value=""/> | |
11709 <param name="no_spectra_data_override" value="false"/> | |
11710 <param name="no_spectra_references_override" value="false"/> | |
11711 <param name="add_ionmatch_annotation" value="0.0"/> | |
11712 <param name="concatenate_peptides" value="false"/> | |
11713 <param name="number_of_hits" value="1"/> | |
11714 <param name="force" value="false"/> | |
11715 <param name="test" value="true"/> | |
11716 </conditional> | |
11717 <param name="in" value="IDFileConverter_12_input.psms"/> | |
11718 <output name="out" file="IDFileConverter_13_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11719 <param name="out_type" value="idXML"/> | |
11720 <param name="mz_name" value=""/> | |
11721 <param name="peptideprophet_analyzed" value="false"/> | |
11722 <param name="score_type" value="PEP"/> | |
11723 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11724 <output name="ctd_out" ftype="xml"> | |
11725 <assert_contents> | |
11726 <is_valid_xml/> | |
11727 </assert_contents> | |
11728 </output> | |
11729 </test> | |
11730 <test expect_num_outputs="2"> | |
11731 <conditional name="adv_opts_cond"> | |
11732 <param name="adv_opts_selector" value="advanced"/> | |
11733 <param name="ignore_proteins_per_peptide" value="false"/> | |
11734 <param name="scan_regex" value=""/> | |
11735 <param name="no_spectra_data_override" value="false"/> | |
11736 <param name="no_spectra_references_override" value="false"/> | |
11737 <param name="add_ionmatch_annotation" value="0.0"/> | |
11738 <param name="concatenate_peptides" value="false"/> | |
11739 <param name="number_of_hits" value="1"/> | |
11740 <param name="force" value="false"/> | |
11741 <param name="test" value="true"/> | |
11742 </conditional> | |
11743 <param name="in" value="IDFileConverter_12_input.psms"/> | |
11744 <output name="out" file="IDFileConverter_14_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11745 <param name="out_type" value="idXML"/> | |
11746 <param name="mz_name" value=""/> | |
11747 <param name="peptideprophet_analyzed" value="false"/> | |
11748 <param name="score_type" value="score"/> | |
11749 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11750 <output name="ctd_out" ftype="xml"> | |
11751 <assert_contents> | |
11752 <is_valid_xml/> | |
11753 </assert_contents> | |
11754 </output> | |
11755 </test> | |
11756 <test expect_num_outputs="2"> | |
11757 <conditional name="adv_opts_cond"> | |
11758 <param name="adv_opts_selector" value="advanced"/> | |
11759 <param name="ignore_proteins_per_peptide" value="false"/> | |
11760 <param name="scan_regex" value=""/> | |
11761 <param name="no_spectra_data_override" value="false"/> | |
11762 <param name="no_spectra_references_override" value="false"/> | |
11763 <param name="add_ionmatch_annotation" value="0.0"/> | |
11764 <param name="concatenate_peptides" value="false"/> | |
11765 <param name="number_of_hits" value="1"/> | |
11766 <param name="force" value="false"/> | |
11767 <param name="test" value="true"/> | |
11768 </conditional> | |
11769 <param name="in" value="MSGFPlusAdapter_1_out.mzid"/> | |
11770 <output name="out" file="IDFileConverter_15_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11771 <param name="out_type" value="idXML"/> | |
11772 <param name="mz_file" value="spectra.mzML"/> | |
11773 <param name="mz_name" value=""/> | |
11774 <param name="peptideprophet_analyzed" value="false"/> | |
11775 <param name="score_type" value="qvalue"/> | |
11776 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11777 <output name="ctd_out" ftype="xml"> | |
11778 <assert_contents> | |
11779 <is_valid_xml/> | |
11780 </assert_contents> | |
11781 </output> | |
11782 </test> | |
11783 <test expect_num_outputs="2"> | |
11784 <conditional name="adv_opts_cond"> | |
11785 <param name="adv_opts_selector" value="advanced"/> | |
11786 <param name="ignore_proteins_per_peptide" value="false"/> | |
11787 <param name="scan_regex" value=""/> | |
11788 <param name="no_spectra_data_override" value="false"/> | |
11789 <param name="no_spectra_references_override" value="false"/> | |
11790 <param name="add_ionmatch_annotation" value="0.0"/> | |
11791 <param name="concatenate_peptides" value="false"/> | |
11792 <param name="number_of_hits" value="1"/> | |
11793 <param name="force" value="false"/> | |
11794 <param name="test" value="true"/> | |
11795 </conditional> | |
11796 <param name="in" value="IDFileConverter_16_input.pepXML"/> | |
11797 <output name="out" file="IDFileConverter_16_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11798 <param name="out_type" value="idXML"/> | |
11799 <param name="mz_name" value=""/> | |
11800 <param name="peptideprophet_analyzed" value="false"/> | |
11801 <param name="score_type" value="qvalue"/> | |
11802 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11803 <output name="ctd_out" ftype="xml"> | |
11804 <assert_contents> | |
11805 <is_valid_xml/> | |
11806 </assert_contents> | |
11807 </output> | |
11808 </test> | |
11809 <test expect_num_outputs="2"> | |
11810 <conditional name="adv_opts_cond"> | |
11811 <param name="adv_opts_selector" value="advanced"/> | |
11812 <param name="ignore_proteins_per_peptide" value="false"/> | |
11813 <param name="scan_regex" value=""/> | |
11814 <param name="no_spectra_data_override" value="false"/> | |
11815 <param name="no_spectra_references_override" value="false"/> | |
11816 <param name="add_ionmatch_annotation" value="0.0"/> | |
11817 <param name="concatenate_peptides" value="false"/> | |
11818 <param name="number_of_hits" value="1"/> | |
11819 <param name="force" value="false"/> | |
11820 <param name="test" value="true"/> | |
11821 </conditional> | |
11822 <param name="in" value="IDFileConverter_17_input.idXML"/> | |
11823 <output name="out" file="IDFileConverter_17_output.pepXML" compare="sim_size" delta="5700" ftype="pepxml"/> | |
11824 <param name="out_type" value="pepXML"/> | |
11825 <param name="mz_name" value=""/> | |
11826 <param name="peptideprophet_analyzed" value="false"/> | |
11827 <param name="score_type" value="qvalue"/> | |
11828 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11829 <output name="ctd_out" ftype="xml"> | |
11830 <assert_contents> | |
11831 <is_valid_xml/> | |
11832 </assert_contents> | |
11833 </output> | |
11834 </test> | |
11835 <test expect_num_outputs="2"> | |
11836 <conditional name="adv_opts_cond"> | |
11837 <param name="adv_opts_selector" value="advanced"/> | |
11838 <param name="ignore_proteins_per_peptide" value="false"/> | |
11839 <param name="scan_regex" value=""/> | |
11840 <param name="no_spectra_data_override" value="false"/> | |
11841 <param name="no_spectra_references_override" value="false"/> | |
11842 <param name="add_ionmatch_annotation" value="0.0"/> | |
11843 <param name="concatenate_peptides" value="false"/> | |
11844 <param name="number_of_hits" value="1"/> | |
11845 <param name="force" value="false"/> | |
11846 <param name="test" value="true"/> | |
11847 </conditional> | |
11848 <param name="in" value="IDFileConverter_18_input.idXML"/> | |
11849 <output name="out" file="IDFileConverter_18_output.pepXML" compare="sim_size" delta="5700" ftype="pepxml"/> | |
11850 <param name="out_type" value="pepXML"/> | |
11851 <param name="mz_name" value=""/> | |
11852 <param name="peptideprophet_analyzed" value="false"/> | |
11853 <param name="score_type" value="qvalue"/> | |
11854 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11855 <output name="ctd_out" ftype="xml"> | |
11856 <assert_contents> | |
11857 <is_valid_xml/> | |
11858 </assert_contents> | |
11859 </output> | |
11860 </test> | |
11861 <test expect_num_outputs="2"> | |
11862 <conditional name="adv_opts_cond"> | |
11863 <param name="adv_opts_selector" value="advanced"/> | |
11864 <param name="ignore_proteins_per_peptide" value="false"/> | |
11865 <param name="scan_regex" value=""/> | |
11866 <param name="no_spectra_data_override" value="false"/> | |
11867 <param name="no_spectra_references_override" value="false"/> | |
11868 <param name="add_ionmatch_annotation" value="0.0"/> | |
11869 <param name="concatenate_peptides" value="false"/> | |
11870 <param name="number_of_hits" value="1"/> | |
11871 <param name="force" value="false"/> | |
11872 <param name="test" value="true"/> | |
11873 </conditional> | |
11874 <param name="in" value="IDFileConverter_19_input.idXML"/> | |
11875 <output name="out" file="IDFileConverter_19_output.pepXML" compare="sim_size" delta="5700" ftype="pepxml"/> | |
11876 <param name="out_type" value="pepXML"/> | |
11877 <param name="mz_name" value=""/> | |
11878 <param name="peptideprophet_analyzed" value="false"/> | |
11879 <param name="score_type" value="qvalue"/> | |
11880 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11881 <output name="ctd_out" ftype="xml"> | |
11882 <assert_contents> | |
11883 <is_valid_xml/> | |
11884 </assert_contents> | |
11885 </output> | |
11886 </test> | |
11887 <test expect_num_outputs="2"> | |
11888 <conditional name="adv_opts_cond"> | |
11889 <param name="adv_opts_selector" value="advanced"/> | |
11890 <param name="ignore_proteins_per_peptide" value="false"/> | |
11891 <param name="scan_regex" value=""/> | |
11892 <param name="no_spectra_data_override" value="false"/> | |
11893 <param name="no_spectra_references_override" value="false"/> | |
11894 <param name="add_ionmatch_annotation" value="0.0"/> | |
11895 <param name="concatenate_peptides" value="false"/> | |
11896 <param name="number_of_hits" value="1"/> | |
11897 <param name="force" value="false"/> | |
11898 <param name="test" value="true"/> | |
11899 </conditional> | |
11900 <param name="in" value="IDFileConverter_20_input.idXML"/> | |
11901 <output name="out" file="IDFileConverter_20_output.pepXML" compare="sim_size" delta="5700" ftype="pepxml"/> | |
11902 <param name="out_type" value="pepXML"/> | |
11903 <param name="mz_name" value=""/> | |
11904 <param name="peptideprophet_analyzed" value="false"/> | |
11905 <param name="score_type" value="qvalue"/> | |
11906 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11907 <output name="ctd_out" ftype="xml"> | |
11908 <assert_contents> | |
11909 <is_valid_xml/> | |
11910 </assert_contents> | |
11911 </output> | |
11912 </test> | |
11913 <test expect_num_outputs="2"> | |
11914 <conditional name="adv_opts_cond"> | |
11915 <param name="adv_opts_selector" value="advanced"/> | |
11916 <param name="ignore_proteins_per_peptide" value="false"/> | |
11917 <param name="scan_regex" value=""/> | |
11918 <param name="no_spectra_data_override" value="false"/> | |
11919 <param name="no_spectra_references_override" value="false"/> | |
11920 <param name="add_ionmatch_annotation" value="0.0"/> | |
11921 <param name="concatenate_peptides" value="false"/> | |
11922 <param name="number_of_hits" value="1"/> | |
11923 <param name="force" value="false"/> | |
11924 <param name="test" value="true"/> | |
11925 </conditional> | |
11926 <param name="in" value="IDFileConverter_21_input.idXML"/> | |
11927 <output name="out" file="IDFileConverter_21_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11928 <param name="out_type" value="idXML"/> | |
11929 <param name="mz_file" value="IDMapper_4_input.mzML"/> | |
11930 <param name="mz_name" value=""/> | |
11931 <param name="peptideprophet_analyzed" value="false"/> | |
11932 <param name="score_type" value="qvalue"/> | |
11933 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11934 <output name="ctd_out" ftype="xml"> | |
11935 <assert_contents> | |
11936 <is_valid_xml/> | |
11937 </assert_contents> | |
11938 </output> | |
11939 </test> | |
11940 <test expect_num_outputs="2"> | |
11941 <conditional name="adv_opts_cond"> | |
11942 <param name="adv_opts_selector" value="advanced"/> | |
11943 <param name="ignore_proteins_per_peptide" value="false"/> | |
11944 <param name="scan_regex" value=""/> | |
11945 <param name="no_spectra_data_override" value="false"/> | |
11946 <param name="no_spectra_references_override" value="false"/> | |
11947 <param name="add_ionmatch_annotation" value="0.01"/> | |
11948 <param name="concatenate_peptides" value="false"/> | |
11949 <param name="number_of_hits" value="1"/> | |
11950 <param name="force" value="false"/> | |
11951 <param name="test" value="true"/> | |
11952 </conditional> | |
11953 <param name="in" value="MSGFPlusAdapter_1_out.mzid"/> | |
11954 <output name="out" file="IDFileConverter_22_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11955 <param name="out_type" value="idXML"/> | |
11956 <param name="mz_file" value="spectra.mzML"/> | |
11957 <param name="mz_name" value=""/> | |
11958 <param name="peptideprophet_analyzed" value="false"/> | |
11959 <param name="score_type" value="qvalue"/> | |
11960 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11961 <output name="ctd_out" ftype="xml"> | |
11962 <assert_contents> | |
11963 <is_valid_xml/> | |
11964 </assert_contents> | |
11965 </output> | |
11966 </test> | |
11967 <test expect_num_outputs="2"> | |
11968 <conditional name="adv_opts_cond"> | |
11969 <param name="adv_opts_selector" value="advanced"/> | |
11970 <param name="ignore_proteins_per_peptide" value="false"/> | |
11971 <param name="scan_regex" value=""/> | |
11972 <param name="no_spectra_data_override" value="false"/> | |
11973 <param name="no_spectra_references_override" value="false"/> | |
11974 <param name="add_ionmatch_annotation" value="0.0"/> | |
11975 <param name="concatenate_peptides" value="false"/> | |
11976 <param name="number_of_hits" value="1"/> | |
11977 <param name="force" value="false"/> | |
11978 <param name="test" value="true"/> | |
11979 </conditional> | |
11980 <param name="in" value="IDFileConverter_23_input.mzid"/> | |
11981 <output name="out" file="IDFileConverter_23_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11982 <param name="out_type" value="idXML"/> | |
11983 <param name="mz_name" value=""/> | |
11984 <param name="peptideprophet_analyzed" value="false"/> | |
11985 <param name="score_type" value="qvalue"/> | |
11986 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11987 <output name="ctd_out" ftype="xml"> | |
11988 <assert_contents> | |
11989 <is_valid_xml/> | |
11990 </assert_contents> | |
11991 </output> | |
11992 </test> | |
11993 <test expect_num_outputs="2"> | |
11994 <conditional name="adv_opts_cond"> | |
11995 <param name="adv_opts_selector" value="advanced"/> | |
11996 <param name="ignore_proteins_per_peptide" value="false"/> | |
11997 <param name="scan_regex" value=""/> | |
11998 <param name="no_spectra_data_override" value="false"/> | |
11999 <param name="no_spectra_references_override" value="false"/> | |
12000 <param name="add_ionmatch_annotation" value="0.0"/> | |
12001 <param name="concatenate_peptides" value="false"/> | |
12002 <param name="number_of_hits" value="1"/> | |
12003 <param name="force" value="false"/> | |
12004 <param name="test" value="true"/> | |
12005 </conditional> | |
12006 <param name="in" value="IDFileConverter_24_input.pep.xml"/> | |
12007 <output name="out" file="IDFileConverter_24_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12008 <param name="out_type" value="idXML"/> | |
12009 <param name="mz_name" value=""/> | |
12010 <param name="peptideprophet_analyzed" value="false"/> | |
12011 <param name="score_type" value="qvalue"/> | |
12012 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12013 <output name="ctd_out" ftype="xml"> | |
12014 <assert_contents> | |
12015 <is_valid_xml/> | |
12016 </assert_contents> | |
12017 </output> | |
12018 </test> | |
12019 <test expect_num_outputs="2"> | |
12020 <conditional name="adv_opts_cond"> | |
12021 <param name="adv_opts_selector" value="advanced"/> | |
12022 <param name="ignore_proteins_per_peptide" value="false"/> | |
12023 <param name="scan_regex" value=""/> | |
12024 <param name="no_spectra_data_override" value="false"/> | |
12025 <param name="no_spectra_references_override" value="false"/> | |
12026 <param name="add_ionmatch_annotation" value="0.0"/> | |
12027 <param name="concatenate_peptides" value="false"/> | |
12028 <param name="number_of_hits" value="1"/> | |
12029 <param name="force" value="false"/> | |
12030 <param name="test" value="true"/> | |
12031 </conditional> | |
12032 <param name="in" value="IDFileConverter_25_input.idXML"/> | |
12033 <output name="out" file="IDFileConverter_25_output.pep.xml" compare="sim_size" delta="5700" ftype="pepxml"/> | |
12034 <param name="out_type" value="pepXML"/> | |
12035 <param name="mz_name" value=""/> | |
12036 <param name="peptideprophet_analyzed" value="false"/> | |
12037 <param name="score_type" value="qvalue"/> | |
12038 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12039 <output name="ctd_out" ftype="xml"> | |
12040 <assert_contents> | |
12041 <is_valid_xml/> | |
12042 </assert_contents> | |
12043 </output> | |
12044 </test> | |
12045 <test expect_num_outputs="2"> | |
12046 <conditional name="adv_opts_cond"> | |
12047 <param name="adv_opts_selector" value="advanced"/> | |
12048 <param name="ignore_proteins_per_peptide" value="false"/> | |
12049 <param name="scan_regex" value=""/> | |
12050 <param name="no_spectra_data_override" value="false"/> | |
12051 <param name="no_spectra_references_override" value="false"/> | |
12052 <param name="add_ionmatch_annotation" value="0.0"/> | |
12053 <param name="concatenate_peptides" value="false"/> | |
12054 <param name="number_of_hits" value="1"/> | |
12055 <param name="force" value="false"/> | |
12056 <param name="test" value="true"/> | |
12057 </conditional> | |
12058 <param name="in" value="IDFileConverter_26_input.mzid"/> | |
12059 <output name="out" file="IDFileConverter_26_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12060 <param name="out_type" value="idXML"/> | |
12061 <param name="mz_name" value=""/> | |
12062 <param name="peptideprophet_analyzed" value="false"/> | |
12063 <param name="score_type" value="qvalue"/> | |
12064 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12065 <output name="ctd_out" ftype="xml"> | |
12066 <assert_contents> | |
12067 <is_valid_xml/> | |
12068 </assert_contents> | |
12069 </output> | |
12070 </test> | |
12071 <test expect_num_outputs="2"> | |
12072 <conditional name="adv_opts_cond"> | |
12073 <param name="adv_opts_selector" value="advanced"/> | |
12074 <param name="ignore_proteins_per_peptide" value="false"/> | |
12075 <param name="scan_regex" value=""/> | |
12076 <param name="no_spectra_data_override" value="false"/> | |
12077 <param name="no_spectra_references_override" value="false"/> | |
12078 <param name="add_ionmatch_annotation" value="0.0"/> | |
12079 <param name="concatenate_peptides" value="false"/> | |
12080 <param name="number_of_hits" value="1"/> | |
12081 <param name="force" value="false"/> | |
12082 <param name="test" value="true"/> | |
12083 </conditional> | |
12084 <param name="in" value="IDFileConverter_27_input.idXML"/> | |
12085 <output name="out" file="IDFileConverter_27_output.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
12086 <param name="out_type" value="FASTA"/> | |
12087 <param name="mz_name" value=""/> | |
12088 <param name="peptideprophet_analyzed" value="false"/> | |
12089 <param name="score_type" value="qvalue"/> | |
12090 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12091 <output name="ctd_out" ftype="xml"> | |
12092 <assert_contents> | |
12093 <is_valid_xml/> | |
12094 </assert_contents> | |
12095 </output> | |
12096 </test> | |
12097 <test expect_num_outputs="2"> | |
12098 <conditional name="adv_opts_cond"> | |
12099 <param name="adv_opts_selector" value="advanced"/> | |
12100 <param name="ignore_proteins_per_peptide" value="false"/> | |
12101 <param name="scan_regex" value=""/> | |
12102 <param name="no_spectra_data_override" value="false"/> | |
12103 <param name="no_spectra_references_override" value="false"/> | |
12104 <param name="add_ionmatch_annotation" value="0.0"/> | |
12105 <param name="concatenate_peptides" value="false"/> | |
12106 <param name="number_of_hits" value="-1"/> | |
12107 <param name="force" value="false"/> | |
12108 <param name="test" value="true"/> | |
12109 </conditional> | |
12110 <param name="in" value="IDFileConverter_27_input.idXML"/> | |
12111 <output name="out" file="IDFileConverter_28_output.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
12112 <param name="out_type" value="FASTA"/> | |
12113 <param name="mz_name" value=""/> | |
12114 <param name="peptideprophet_analyzed" value="false"/> | |
12115 <param name="score_type" value="qvalue"/> | |
12116 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12117 <output name="ctd_out" ftype="xml"> | |
12118 <assert_contents> | |
12119 <is_valid_xml/> | |
12120 </assert_contents> | |
12121 </output> | |
12122 </test> | |
12123 <test expect_num_outputs="2"> | |
12124 <conditional name="adv_opts_cond"> | |
12125 <param name="adv_opts_selector" value="advanced"/> | |
12126 <param name="ignore_proteins_per_peptide" value="false"/> | |
12127 <param name="scan_regex" value=""/> | |
12128 <param name="no_spectra_data_override" value="false"/> | |
12129 <param name="no_spectra_references_override" value="false"/> | |
12130 <param name="add_ionmatch_annotation" value="0.0"/> | |
12131 <param name="concatenate_peptides" value="true"/> | |
12132 <param name="number_of_hits" value="1"/> | |
12133 <param name="force" value="false"/> | |
12134 <param name="test" value="true"/> | |
12135 </conditional> | |
12136 <param name="in" value="IDFileConverter_27_input.idXML"/> | |
12137 <output name="out" file="IDFileConverter_29_output.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
12138 <param name="out_type" value="FASTA"/> | |
12139 <param name="mz_name" value=""/> | |
12140 <param name="peptideprophet_analyzed" value="false"/> | |
12141 <param name="score_type" value="qvalue"/> | |
12142 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12143 <output name="ctd_out" ftype="xml"> | |
12144 <assert_contents> | |
12145 <is_valid_xml/> | |
12146 </assert_contents> | |
12147 </output> | |
12148 </test> | |
12149 <test expect_num_outputs="2"> | |
12150 <conditional name="adv_opts_cond"> | |
12151 <param name="adv_opts_selector" value="advanced"/> | |
12152 <param name="ignore_proteins_per_peptide" value="false"/> | |
12153 <param name="scan_regex" value=""/> | |
12154 <param name="no_spectra_data_override" value="false"/> | |
12155 <param name="no_spectra_references_override" value="false"/> | |
12156 <param name="add_ionmatch_annotation" value="0.0"/> | |
12157 <param name="concatenate_peptides" value="true"/> | |
12158 <param name="number_of_hits" value="2"/> | |
12159 <param name="force" value="false"/> | |
12160 <param name="test" value="true"/> | |
12161 </conditional> | |
12162 <param name="in" value="IDFileConverter_27_input.idXML"/> | |
12163 <output name="out" file="IDFileConverter_30_output.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
12164 <param name="out_type" value="FASTA"/> | |
12165 <param name="mz_name" value=""/> | |
12166 <param name="peptideprophet_analyzed" value="false"/> | |
12167 <param name="score_type" value="qvalue"/> | |
12168 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12169 <output name="ctd_out" ftype="xml"> | |
12170 <assert_contents> | |
12171 <is_valid_xml/> | |
12172 </assert_contents> | |
12173 </output> | |
12174 </test> | |
12175 <test expect_num_outputs="2"> | |
12176 <conditional name="adv_opts_cond"> | |
12177 <param name="adv_opts_selector" value="advanced"/> | |
12178 <param name="ignore_proteins_per_peptide" value="false"/> | |
12179 <param name="scan_regex" value=""/> | |
12180 <param name="no_spectra_data_override" value="false"/> | |
12181 <param name="no_spectra_references_override" value="false"/> | |
12182 <param name="add_ionmatch_annotation" value="0.0"/> | |
12183 <param name="concatenate_peptides" value="false"/> | |
12184 <param name="number_of_hits" value="1"/> | |
12185 <param name="force" value="false"/> | |
12186 <param name="test" value="true"/> | |
12187 </conditional> | |
12188 <param name="in" value="IDFileConverter_31_input.mzid"/> | |
12189 <output name="out" file="IDFileConverter_31_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12190 <param name="out_type" value="idXML"/> | |
12191 <param name="mz_name" value=""/> | |
12192 <param name="peptideprophet_analyzed" value="false"/> | |
12193 <param name="score_type" value="qvalue"/> | |
12194 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12195 <output name="ctd_out" ftype="xml"> | |
12196 <assert_contents> | |
12197 <is_valid_xml/> | |
12198 </assert_contents> | |
12199 </output> | |
12200 </test> | |
12201 </xml> | |
12202 <xml name="autotest_IDFilter"> | |
12203 <test expect_num_outputs="2"> | |
12204 <conditional name="adv_opts_cond"> | |
12205 <param name="adv_opts_selector" value="advanced"/> | |
12206 <param name="remove_duplicate_psm" value="false"/> | |
12207 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12208 <param name="force" value="false"/> | |
12209 <param name="test" value="true"/> | |
12210 </conditional> | |
12211 <param name="in" value="IDFilter_1_input.idXML"/> | |
12212 <output name="out" file="IDFilter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12213 <param name="var_mods" value="false"/> | |
12214 <param name="remove_shared_peptides" value="false"/> | |
12215 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12216 <param name="remove_decoys" value="false"/> | |
12217 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12218 <section name="precursor"> | |
12219 <param name="rt" value=":"/> | |
12220 <param name="mz" value=":"/> | |
12221 <param name="length" value=":"/> | |
12222 <param name="charge" value=":"/> | |
12223 </section> | |
12224 <section name="score"> | |
12225 <param name="pep" value="0.0"/> | |
12226 <param name="prot" value="0.0"/> | |
12227 <param name="protgroup" value="0.0"/> | |
12228 </section> | |
12229 <section name="whitelist"> | |
12230 <param name="proteins" value="IDFilter_1_input.fas"/> | |
12231 <param name="protein_accessions" value=""/> | |
12232 <param name="ignore_modifications" value="false"/> | |
12233 <param name="modifications" value=""/> | |
12234 </section> | |
12235 <section name="blacklist"> | |
12236 <param name="protein_accessions" value=""/> | |
12237 <param name="ignore_modifications" value="false"/> | |
12238 <param name="modifications" value=""/> | |
12239 </section> | |
12240 <section name="in_silico_digestion"> | |
12241 <param name="enzyme" value="Trypsin"/> | |
12242 <param name="specificity" value="full"/> | |
12243 <param name="missed_cleavages" value="-1"/> | |
12244 <param name="methionine_cleavage" value="false"/> | |
12245 </section> | |
12246 <section name="missed_cleavages"> | |
12247 <param name="number_of_missed_cleavages" value=":"/> | |
12248 <param name="enzyme" value="Trypsin"/> | |
12249 </section> | |
12250 <section name="rt"> | |
12251 <param name="p_value" value="0.0"/> | |
12252 <param name="p_value_1st_dim" value="0.0"/> | |
12253 </section> | |
12254 <section name="mz"> | |
12255 <param name="error" value="-1.0"/> | |
12256 <param name="unit" value="ppm"/> | |
12257 </section> | |
12258 <section name="best"> | |
12259 <param name="n_peptide_hits" value="0"/> | |
12260 <param name="n_protein_hits" value="0"/> | |
12261 <param name="strict" value="false"/> | |
12262 <param name="n_to_m_peptide_hits" value=":"/> | |
12263 </section> | |
12264 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12265 <output name="ctd_out" ftype="xml"> | |
12266 <assert_contents> | |
12267 <is_valid_xml/> | |
12268 </assert_contents> | |
12269 </output> | |
12270 </test> | |
12271 <test expect_num_outputs="2"> | |
12272 <conditional name="adv_opts_cond"> | |
12273 <param name="adv_opts_selector" value="advanced"/> | |
12274 <param name="remove_duplicate_psm" value="false"/> | |
12275 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12276 <param name="force" value="false"/> | |
12277 <param name="test" value="true"/> | |
12278 </conditional> | |
12279 <param name="in" value="IDFilter_3_input.idXML"/> | |
12280 <output name="out" file="IDFilter_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12281 <param name="var_mods" value="false"/> | |
12282 <param name="remove_shared_peptides" value="false"/> | |
12283 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12284 <param name="remove_decoys" value="false"/> | |
12285 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12286 <section name="precursor"> | |
12287 <param name="rt" value=":"/> | |
12288 <param name="mz" value=":"/> | |
12289 <param name="length" value=":"/> | |
12290 <param name="charge" value=":"/> | |
12291 </section> | |
12292 <section name="score"> | |
12293 <param name="pep" value="0.0"/> | |
12294 <param name="prot" value="0.0"/> | |
12295 <param name="protgroup" value="0.0"/> | |
12296 </section> | |
12297 <section name="whitelist"> | |
12298 <param name="protein_accessions" value=""/> | |
12299 <param name="ignore_modifications" value="false"/> | |
12300 <param name="modifications" value=""/> | |
12301 </section> | |
12302 <section name="blacklist"> | |
12303 <param name="protein_accessions" value=""/> | |
12304 <param name="peptides" value="IDFilter_3_2_input.idXML"/> | |
12305 <param name="ignore_modifications" value="false"/> | |
12306 <param name="modifications" value=""/> | |
12307 </section> | |
12308 <section name="in_silico_digestion"> | |
12309 <param name="enzyme" value="Trypsin"/> | |
12310 <param name="specificity" value="full"/> | |
12311 <param name="missed_cleavages" value="-1"/> | |
12312 <param name="methionine_cleavage" value="false"/> | |
12313 </section> | |
12314 <section name="missed_cleavages"> | |
12315 <param name="number_of_missed_cleavages" value=":"/> | |
12316 <param name="enzyme" value="Trypsin"/> | |
12317 </section> | |
12318 <section name="rt"> | |
12319 <param name="p_value" value="0.0"/> | |
12320 <param name="p_value_1st_dim" value="0.0"/> | |
12321 </section> | |
12322 <section name="mz"> | |
12323 <param name="error" value="-1.0"/> | |
12324 <param name="unit" value="ppm"/> | |
12325 </section> | |
12326 <section name="best"> | |
12327 <param name="n_peptide_hits" value="0"/> | |
12328 <param name="n_protein_hits" value="0"/> | |
12329 <param name="strict" value="false"/> | |
12330 <param name="n_to_m_peptide_hits" value=":"/> | |
12331 </section> | |
12332 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12333 <output name="ctd_out" ftype="xml"> | |
12334 <assert_contents> | |
12335 <is_valid_xml/> | |
12336 </assert_contents> | |
12337 </output> | |
12338 </test> | |
12339 <test expect_num_outputs="2"> | |
12340 <conditional name="adv_opts_cond"> | |
12341 <param name="adv_opts_selector" value="advanced"/> | |
12342 <param name="remove_duplicate_psm" value="false"/> | |
12343 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12344 <param name="force" value="false"/> | |
12345 <param name="test" value="true"/> | |
12346 </conditional> | |
12347 <param name="in" value="IDFilter_4_input.idXML"/> | |
12348 <output name="out" file="IDFilter_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12349 <param name="var_mods" value="false"/> | |
12350 <param name="remove_shared_peptides" value="false"/> | |
12351 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12352 <param name="remove_decoys" value="false"/> | |
12353 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12354 <section name="precursor"> | |
12355 <param name="rt" value=":"/> | |
12356 <param name="mz" value=":"/> | |
12357 <param name="length" value=":"/> | |
12358 <param name="charge" value=":"/> | |
12359 </section> | |
12360 <section name="score"> | |
12361 <param name="pep" value="0.0"/> | |
12362 <param name="prot" value="0.0"/> | |
12363 <param name="protgroup" value="0.0"/> | |
12364 </section> | |
12365 <section name="whitelist"> | |
12366 <param name="protein_accessions" value=""/> | |
12367 <param name="ignore_modifications" value="false"/> | |
12368 <param name="modifications" value=""/> | |
12369 </section> | |
12370 <section name="blacklist"> | |
12371 <param name="protein_accessions" value=""/> | |
12372 <param name="ignore_modifications" value="false"/> | |
12373 <param name="modifications" value=""/> | |
12374 </section> | |
12375 <section name="in_silico_digestion"> | |
12376 <param name="enzyme" value="Trypsin"/> | |
12377 <param name="specificity" value="full"/> | |
12378 <param name="missed_cleavages" value="-1"/> | |
12379 <param name="methionine_cleavage" value="false"/> | |
12380 </section> | |
12381 <section name="missed_cleavages"> | |
12382 <param name="number_of_missed_cleavages" value=":"/> | |
12383 <param name="enzyme" value="Trypsin"/> | |
12384 </section> | |
12385 <section name="rt"> | |
12386 <param name="p_value" value="0.08"/> | |
12387 <param name="p_value_1st_dim" value="0.0"/> | |
12388 </section> | |
12389 <section name="mz"> | |
12390 <param name="error" value="-1.0"/> | |
12391 <param name="unit" value="ppm"/> | |
12392 </section> | |
12393 <section name="best"> | |
12394 <param name="n_peptide_hits" value="0"/> | |
12395 <param name="n_protein_hits" value="0"/> | |
12396 <param name="strict" value="false"/> | |
12397 <param name="n_to_m_peptide_hits" value=":"/> | |
12398 </section> | |
12399 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12400 <output name="ctd_out" ftype="xml"> | |
12401 <assert_contents> | |
12402 <is_valid_xml/> | |
12403 </assert_contents> | |
12404 </output> | |
12405 </test> | |
12406 <test expect_num_outputs="2"> | |
12407 <conditional name="adv_opts_cond"> | |
12408 <param name="adv_opts_selector" value="advanced"/> | |
12409 <param name="remove_duplicate_psm" value="false"/> | |
12410 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12411 <param name="force" value="false"/> | |
12412 <param name="test" value="true"/> | |
12413 </conditional> | |
12414 <param name="in" value="IDFilter_5_input.idXML"/> | |
12415 <output name="out" file="IDFilter_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12416 <param name="var_mods" value="false"/> | |
12417 <param name="remove_shared_peptides" value="false"/> | |
12418 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12419 <param name="remove_decoys" value="false"/> | |
12420 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12421 <section name="precursor"> | |
12422 <param name="rt" value=":"/> | |
12423 <param name="mz" value=":"/> | |
12424 <param name="length" value=":"/> | |
12425 <param name="charge" value=":"/> | |
12426 </section> | |
12427 <section name="score"> | |
12428 <param name="pep" value="32.0"/> | |
12429 <param name="prot" value="25.0"/> | |
12430 <param name="protgroup" value="0.0"/> | |
12431 </section> | |
12432 <section name="whitelist"> | |
12433 <param name="protein_accessions" value=""/> | |
12434 <param name="ignore_modifications" value="false"/> | |
12435 <param name="modifications" value=""/> | |
12436 </section> | |
12437 <section name="blacklist"> | |
12438 <param name="protein_accessions" value=""/> | |
12439 <param name="ignore_modifications" value="false"/> | |
12440 <param name="modifications" value=""/> | |
12441 </section> | |
12442 <section name="in_silico_digestion"> | |
12443 <param name="enzyme" value="Trypsin"/> | |
12444 <param name="specificity" value="full"/> | |
12445 <param name="missed_cleavages" value="-1"/> | |
12446 <param name="methionine_cleavage" value="false"/> | |
12447 </section> | |
12448 <section name="missed_cleavages"> | |
12449 <param name="number_of_missed_cleavages" value=":"/> | |
12450 <param name="enzyme" value="Trypsin"/> | |
12451 </section> | |
12452 <section name="rt"> | |
12453 <param name="p_value" value="0.0"/> | |
12454 <param name="p_value_1st_dim" value="0.0"/> | |
12455 </section> | |
12456 <section name="mz"> | |
12457 <param name="error" value="-1.0"/> | |
12458 <param name="unit" value="ppm"/> | |
12459 </section> | |
12460 <section name="best"> | |
12461 <param name="n_peptide_hits" value="0"/> | |
12462 <param name="n_protein_hits" value="0"/> | |
12463 <param name="strict" value="false"/> | |
12464 <param name="n_to_m_peptide_hits" value=":"/> | |
12465 </section> | |
12466 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12467 <output name="ctd_out" ftype="xml"> | |
12468 <assert_contents> | |
12469 <is_valid_xml/> | |
12470 </assert_contents> | |
12471 </output> | |
12472 </test> | |
12473 <test expect_num_outputs="2"> | |
12474 <conditional name="adv_opts_cond"> | |
12475 <param name="adv_opts_selector" value="advanced"/> | |
12476 <param name="remove_duplicate_psm" value="false"/> | |
12477 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12478 <param name="force" value="false"/> | |
12479 <param name="test" value="true"/> | |
12480 </conditional> | |
12481 <param name="in" value="IDFilter_5_input.idXML"/> | |
12482 <output name="out" file="IDFilter_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12483 <param name="var_mods" value="false"/> | |
12484 <param name="remove_shared_peptides" value="false"/> | |
12485 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12486 <param name="remove_decoys" value="false"/> | |
12487 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12488 <section name="precursor"> | |
12489 <param name="rt" value=":"/> | |
12490 <param name="mz" value=":"/> | |
12491 <param name="length" value=":"/> | |
12492 <param name="charge" value=":"/> | |
12493 </section> | |
12494 <section name="score"> | |
12495 <param name="pep" value="32.0"/> | |
12496 <param name="prot" value="0.0"/> | |
12497 <param name="protgroup" value="0.0"/> | |
12498 </section> | |
12499 <section name="whitelist"> | |
12500 <param name="protein_accessions" value=""/> | |
12501 <param name="ignore_modifications" value="false"/> | |
12502 <param name="modifications" value=""/> | |
12503 </section> | |
12504 <section name="blacklist"> | |
12505 <param name="protein_accessions" value=""/> | |
12506 <param name="ignore_modifications" value="false"/> | |
12507 <param name="modifications" value=""/> | |
12508 </section> | |
12509 <section name="in_silico_digestion"> | |
12510 <param name="enzyme" value="Trypsin"/> | |
12511 <param name="specificity" value="full"/> | |
12512 <param name="missed_cleavages" value="-1"/> | |
12513 <param name="methionine_cleavage" value="false"/> | |
12514 </section> | |
12515 <section name="missed_cleavages"> | |
12516 <param name="number_of_missed_cleavages" value=":"/> | |
12517 <param name="enzyme" value="Trypsin"/> | |
12518 </section> | |
12519 <section name="rt"> | |
12520 <param name="p_value" value="0.0"/> | |
12521 <param name="p_value_1st_dim" value="0.0"/> | |
12522 </section> | |
12523 <section name="mz"> | |
12524 <param name="error" value="-1.0"/> | |
12525 <param name="unit" value="ppm"/> | |
12526 </section> | |
12527 <section name="best"> | |
12528 <param name="n_peptide_hits" value="0"/> | |
12529 <param name="n_protein_hits" value="0"/> | |
12530 <param name="strict" value="false"/> | |
12531 <param name="n_to_m_peptide_hits" value=":"/> | |
12532 </section> | |
12533 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12534 <output name="ctd_out" ftype="xml"> | |
12535 <assert_contents> | |
12536 <is_valid_xml/> | |
12537 </assert_contents> | |
12538 </output> | |
12539 </test> | |
12540 <test expect_num_outputs="2"> | |
12541 <conditional name="adv_opts_cond"> | |
12542 <param name="adv_opts_selector" value="advanced"/> | |
12543 <param name="remove_duplicate_psm" value="false"/> | |
12544 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12545 <param name="force" value="false"/> | |
12546 <param name="test" value="true"/> | |
12547 </conditional> | |
12548 <param name="in" value="IDFilter_5_input.idXML"/> | |
12549 <output name="out" file="IDFilter_5b_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12550 <param name="var_mods" value="false"/> | |
12551 <param name="remove_shared_peptides" value="false"/> | |
12552 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12553 <param name="remove_decoys" value="false"/> | |
12554 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12555 <section name="precursor"> | |
12556 <param name="rt" value=":"/> | |
12557 <param name="mz" value=":"/> | |
12558 <param name="length" value=":"/> | |
12559 <param name="charge" value=":"/> | |
12560 </section> | |
12561 <section name="score"> | |
12562 <param name="pep" value="0.0"/> | |
12563 <param name="prot" value="25.0"/> | |
12564 <param name="protgroup" value="0.0"/> | |
12565 </section> | |
12566 <section name="whitelist"> | |
12567 <param name="protein_accessions" value=""/> | |
12568 <param name="ignore_modifications" value="false"/> | |
12569 <param name="modifications" value=""/> | |
12570 </section> | |
12571 <section name="blacklist"> | |
12572 <param name="protein_accessions" value=""/> | |
12573 <param name="ignore_modifications" value="false"/> | |
12574 <param name="modifications" value=""/> | |
12575 </section> | |
12576 <section name="in_silico_digestion"> | |
12577 <param name="enzyme" value="Trypsin"/> | |
12578 <param name="specificity" value="full"/> | |
12579 <param name="missed_cleavages" value="-1"/> | |
12580 <param name="methionine_cleavage" value="false"/> | |
12581 </section> | |
12582 <section name="missed_cleavages"> | |
12583 <param name="number_of_missed_cleavages" value=":"/> | |
12584 <param name="enzyme" value="Trypsin"/> | |
12585 </section> | |
12586 <section name="rt"> | |
12587 <param name="p_value" value="0.0"/> | |
12588 <param name="p_value_1st_dim" value="0.0"/> | |
12589 </section> | |
12590 <section name="mz"> | |
12591 <param name="error" value="-1.0"/> | |
12592 <param name="unit" value="ppm"/> | |
12593 </section> | |
12594 <section name="best"> | |
12595 <param name="n_peptide_hits" value="0"/> | |
12596 <param name="n_protein_hits" value="0"/> | |
12597 <param name="strict" value="false"/> | |
12598 <param name="n_to_m_peptide_hits" value=":"/> | |
12599 </section> | |
12600 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12601 <output name="ctd_out" ftype="xml"> | |
12602 <assert_contents> | |
12603 <is_valid_xml/> | |
12604 </assert_contents> | |
12605 </output> | |
12606 </test> | |
12607 <test expect_num_outputs="2"> | |
12608 <conditional name="adv_opts_cond"> | |
12609 <param name="adv_opts_selector" value="advanced"/> | |
12610 <param name="remove_duplicate_psm" value="false"/> | |
12611 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12612 <param name="force" value="false"/> | |
12613 <param name="test" value="true"/> | |
12614 </conditional> | |
12615 <param name="in" value="IDFilter_5_input.idXML"/> | |
12616 <output name="out" file="IDFilter_5c_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12617 <param name="var_mods" value="false"/> | |
12618 <param name="remove_shared_peptides" value="false"/> | |
12619 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12620 <param name="remove_decoys" value="false"/> | |
12621 <param name="delete_unreferenced_peptide_hits" value="true"/> | |
12622 <section name="precursor"> | |
12623 <param name="rt" value=":"/> | |
12624 <param name="mz" value=":"/> | |
12625 <param name="length" value=":"/> | |
12626 <param name="charge" value=":"/> | |
12627 </section> | |
12628 <section name="score"> | |
12629 <param name="pep" value="0.0"/> | |
12630 <param name="prot" value="25.0"/> | |
12631 <param name="protgroup" value="0.0"/> | |
12632 </section> | |
12633 <section name="whitelist"> | |
12634 <param name="protein_accessions" value=""/> | |
12635 <param name="ignore_modifications" value="false"/> | |
12636 <param name="modifications" value=""/> | |
12637 </section> | |
12638 <section name="blacklist"> | |
12639 <param name="protein_accessions" value=""/> | |
12640 <param name="ignore_modifications" value="false"/> | |
12641 <param name="modifications" value=""/> | |
12642 </section> | |
12643 <section name="in_silico_digestion"> | |
12644 <param name="enzyme" value="Trypsin"/> | |
12645 <param name="specificity" value="full"/> | |
12646 <param name="missed_cleavages" value="-1"/> | |
12647 <param name="methionine_cleavage" value="false"/> | |
12648 </section> | |
12649 <section name="missed_cleavages"> | |
12650 <param name="number_of_missed_cleavages" value=":"/> | |
12651 <param name="enzyme" value="Trypsin"/> | |
12652 </section> | |
12653 <section name="rt"> | |
12654 <param name="p_value" value="0.0"/> | |
12655 <param name="p_value_1st_dim" value="0.0"/> | |
12656 </section> | |
12657 <section name="mz"> | |
12658 <param name="error" value="-1.0"/> | |
12659 <param name="unit" value="ppm"/> | |
12660 </section> | |
12661 <section name="best"> | |
12662 <param name="n_peptide_hits" value="0"/> | |
12663 <param name="n_protein_hits" value="0"/> | |
12664 <param name="strict" value="false"/> | |
12665 <param name="n_to_m_peptide_hits" value=":"/> | |
12666 </section> | |
12667 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12668 <output name="ctd_out" ftype="xml"> | |
12669 <assert_contents> | |
12670 <is_valid_xml/> | |
12671 </assert_contents> | |
12672 </output> | |
12673 </test> | |
12674 <test expect_num_outputs="2"> | |
12675 <conditional name="adv_opts_cond"> | |
12676 <param name="adv_opts_selector" value="advanced"/> | |
12677 <param name="remove_duplicate_psm" value="false"/> | |
12678 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12679 <param name="force" value="false"/> | |
12680 <param name="test" value="true"/> | |
12681 </conditional> | |
12682 <param name="in" value="IDFilter_6_input.idXML"/> | |
12683 <output name="out" file="IDFilter_6_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12684 <param name="var_mods" value="false"/> | |
12685 <param name="remove_shared_peptides" value="false"/> | |
12686 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12687 <param name="remove_decoys" value="false"/> | |
12688 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12689 <section name="precursor"> | |
12690 <param name="rt" value=":"/> | |
12691 <param name="mz" value=":"/> | |
12692 <param name="length" value=":"/> | |
12693 <param name="charge" value=":"/> | |
12694 </section> | |
12695 <section name="score"> | |
12696 <param name="pep" value="0.0"/> | |
12697 <param name="prot" value="0.0"/> | |
12698 <param name="protgroup" value="0.0"/> | |
12699 </section> | |
12700 <section name="whitelist"> | |
12701 <param name="protein_accessions" value=""/> | |
12702 <param name="ignore_modifications" value="false"/> | |
12703 <param name="modifications" value=""/> | |
12704 </section> | |
12705 <section name="blacklist"> | |
12706 <param name="protein_accessions" value=""/> | |
12707 <param name="ignore_modifications" value="false"/> | |
12708 <param name="modifications" value=""/> | |
12709 </section> | |
12710 <section name="in_silico_digestion"> | |
12711 <param name="enzyme" value="Trypsin"/> | |
12712 <param name="specificity" value="full"/> | |
12713 <param name="missed_cleavages" value="-1"/> | |
12714 <param name="methionine_cleavage" value="false"/> | |
12715 </section> | |
12716 <section name="missed_cleavages"> | |
12717 <param name="number_of_missed_cleavages" value=":"/> | |
12718 <param name="enzyme" value="Trypsin"/> | |
12719 </section> | |
12720 <section name="rt"> | |
12721 <param name="p_value" value="0.0"/> | |
12722 <param name="p_value_1st_dim" value="0.0"/> | |
12723 </section> | |
12724 <section name="mz"> | |
12725 <param name="error" value="-1.0"/> | |
12726 <param name="unit" value="ppm"/> | |
12727 </section> | |
12728 <section name="best"> | |
12729 <param name="n_peptide_hits" value="2"/> | |
12730 <param name="n_protein_hits" value="10"/> | |
12731 <param name="strict" value="false"/> | |
12732 <param name="n_to_m_peptide_hits" value=":"/> | |
12733 </section> | |
12734 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12735 <output name="ctd_out" ftype="xml"> | |
12736 <assert_contents> | |
12737 <is_valid_xml/> | |
12738 </assert_contents> | |
12739 </output> | |
12740 </test> | |
12741 <test expect_num_outputs="2"> | |
12742 <conditional name="adv_opts_cond"> | |
12743 <param name="adv_opts_selector" value="advanced"/> | |
12744 <param name="remove_duplicate_psm" value="true"/> | |
12745 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12746 <param name="force" value="false"/> | |
12747 <param name="test" value="true"/> | |
12748 </conditional> | |
12749 <param name="in" value="IDFilter_7_input.idXML"/> | |
12750 <output name="out" file="IDFilter_7_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12751 <param name="var_mods" value="false"/> | |
12752 <param name="remove_shared_peptides" value="false"/> | |
12753 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12754 <param name="remove_decoys" value="false"/> | |
12755 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12756 <section name="precursor"> | |
12757 <param name="rt" value=":"/> | |
12758 <param name="mz" value=":"/> | |
12759 <param name="length" value=":"/> | |
12760 <param name="charge" value=":"/> | |
12761 </section> | |
12762 <section name="score"> | |
12763 <param name="pep" value="0.0"/> | |
12764 <param name="prot" value="0.0"/> | |
12765 <param name="protgroup" value="0.0"/> | |
12766 </section> | |
12767 <section name="whitelist"> | |
12768 <param name="protein_accessions" value=""/> | |
12769 <param name="ignore_modifications" value="false"/> | |
12770 <param name="modifications" value=""/> | |
12771 </section> | |
12772 <section name="blacklist"> | |
12773 <param name="protein_accessions" value=""/> | |
12774 <param name="ignore_modifications" value="false"/> | |
12775 <param name="modifications" value=""/> | |
12776 </section> | |
12777 <section name="in_silico_digestion"> | |
12778 <param name="enzyme" value="Trypsin"/> | |
12779 <param name="specificity" value="full"/> | |
12780 <param name="missed_cleavages" value="-1"/> | |
12781 <param name="methionine_cleavage" value="false"/> | |
12782 </section> | |
12783 <section name="missed_cleavages"> | |
12784 <param name="number_of_missed_cleavages" value=":"/> | |
12785 <param name="enzyme" value="Trypsin"/> | |
12786 </section> | |
12787 <section name="rt"> | |
12788 <param name="p_value" value="0.0"/> | |
12789 <param name="p_value_1st_dim" value="0.0"/> | |
12790 </section> | |
12791 <section name="mz"> | |
12792 <param name="error" value="-1.0"/> | |
12793 <param name="unit" value="ppm"/> | |
12794 </section> | |
12795 <section name="best"> | |
12796 <param name="n_peptide_hits" value="0"/> | |
12797 <param name="n_protein_hits" value="0"/> | |
12798 <param name="strict" value="false"/> | |
12799 <param name="n_to_m_peptide_hits" value=":"/> | |
12800 </section> | |
12801 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12802 <output name="ctd_out" ftype="xml"> | |
12803 <assert_contents> | |
12804 <is_valid_xml/> | |
12805 </assert_contents> | |
12806 </output> | |
12807 </test> | |
12808 <test expect_num_outputs="2"> | |
12809 <conditional name="adv_opts_cond"> | |
12810 <param name="adv_opts_selector" value="advanced"/> | |
12811 <param name="remove_duplicate_psm" value="false"/> | |
12812 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12813 <param name="force" value="false"/> | |
12814 <param name="test" value="true"/> | |
12815 </conditional> | |
12816 <param name="in" value="IDFilter_8_input.idXML"/> | |
12817 <output name="out" file="IDFilter_8_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12818 <param name="var_mods" value="false"/> | |
12819 <param name="remove_shared_peptides" value="false"/> | |
12820 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12821 <param name="remove_decoys" value="false"/> | |
12822 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12823 <section name="precursor"> | |
12824 <param name="rt" value="200:350"/> | |
12825 <param name="mz" value="999:1000"/> | |
12826 <param name="length" value=":"/> | |
12827 <param name="charge" value=":"/> | |
12828 </section> | |
12829 <section name="score"> | |
12830 <param name="pep" value="0.0"/> | |
12831 <param name="prot" value="0.0"/> | |
12832 <param name="protgroup" value="0.0"/> | |
12833 </section> | |
12834 <section name="whitelist"> | |
12835 <param name="protein_accessions" value=""/> | |
12836 <param name="ignore_modifications" value="false"/> | |
12837 <param name="modifications" value=""/> | |
12838 </section> | |
12839 <section name="blacklist"> | |
12840 <param name="protein_accessions" value=""/> | |
12841 <param name="ignore_modifications" value="false"/> | |
12842 <param name="modifications" value=""/> | |
12843 </section> | |
12844 <section name="in_silico_digestion"> | |
12845 <param name="enzyme" value="Trypsin"/> | |
12846 <param name="specificity" value="full"/> | |
12847 <param name="missed_cleavages" value="-1"/> | |
12848 <param name="methionine_cleavage" value="false"/> | |
12849 </section> | |
12850 <section name="missed_cleavages"> | |
12851 <param name="number_of_missed_cleavages" value=":"/> | |
12852 <param name="enzyme" value="Trypsin"/> | |
12853 </section> | |
12854 <section name="rt"> | |
12855 <param name="p_value" value="0.0"/> | |
12856 <param name="p_value_1st_dim" value="0.0"/> | |
12857 </section> | |
12858 <section name="mz"> | |
12859 <param name="error" value="-1.0"/> | |
12860 <param name="unit" value="ppm"/> | |
12861 </section> | |
12862 <section name="best"> | |
12863 <param name="n_peptide_hits" value="0"/> | |
12864 <param name="n_protein_hits" value="0"/> | |
12865 <param name="strict" value="false"/> | |
12866 <param name="n_to_m_peptide_hits" value=":"/> | |
12867 </section> | |
12868 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12869 <output name="ctd_out" ftype="xml"> | |
12870 <assert_contents> | |
12871 <is_valid_xml/> | |
12872 </assert_contents> | |
12873 </output> | |
12874 </test> | |
12875 <test expect_num_outputs="2"> | |
12876 <conditional name="adv_opts_cond"> | |
12877 <param name="adv_opts_selector" value="advanced"/> | |
12878 <param name="remove_duplicate_psm" value="false"/> | |
12879 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12880 <param name="force" value="false"/> | |
12881 <param name="test" value="true"/> | |
12882 </conditional> | |
12883 <param name="in" value="IDFilter_9_input.idXML"/> | |
12884 <output name="out" file="IDFilter_9_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12885 <param name="var_mods" value="false"/> | |
12886 <param name="remove_shared_peptides" value="false"/> | |
12887 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12888 <param name="remove_decoys" value="false"/> | |
12889 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12890 <section name="precursor"> | |
12891 <param name="rt" value=":"/> | |
12892 <param name="mz" value=":"/> | |
12893 <param name="length" value=":"/> | |
12894 <param name="charge" value=":"/> | |
12895 </section> | |
12896 <section name="score"> | |
12897 <param name="pep" value="0.05"/> | |
12898 <param name="prot" value="0.0"/> | |
12899 <param name="protgroup" value="0.0"/> | |
12900 </section> | |
12901 <section name="whitelist"> | |
12902 <param name="protein_accessions" value=""/> | |
12903 <param name="ignore_modifications" value="false"/> | |
12904 <param name="modifications" value=""/> | |
12905 </section> | |
12906 <section name="blacklist"> | |
12907 <param name="protein_accessions" value=""/> | |
12908 <param name="ignore_modifications" value="false"/> | |
12909 <param name="modifications" value=""/> | |
12910 </section> | |
12911 <section name="in_silico_digestion"> | |
12912 <param name="enzyme" value="Trypsin"/> | |
12913 <param name="specificity" value="full"/> | |
12914 <param name="missed_cleavages" value="-1"/> | |
12915 <param name="methionine_cleavage" value="false"/> | |
12916 </section> | |
12917 <section name="missed_cleavages"> | |
12918 <param name="number_of_missed_cleavages" value=":"/> | |
12919 <param name="enzyme" value="Trypsin"/> | |
12920 </section> | |
12921 <section name="rt"> | |
12922 <param name="p_value" value="0.0"/> | |
12923 <param name="p_value_1st_dim" value="0.0"/> | |
12924 </section> | |
12925 <section name="mz"> | |
12926 <param name="error" value="-1.0"/> | |
12927 <param name="unit" value="ppm"/> | |
12928 </section> | |
12929 <section name="best"> | |
12930 <param name="n_peptide_hits" value="0"/> | |
12931 <param name="n_protein_hits" value="0"/> | |
12932 <param name="strict" value="false"/> | |
12933 <param name="n_to_m_peptide_hits" value=":"/> | |
12934 </section> | |
12935 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12936 <output name="ctd_out" ftype="xml"> | |
12937 <assert_contents> | |
12938 <is_valid_xml/> | |
12939 </assert_contents> | |
12940 </output> | |
12941 </test> | |
12942 <test expect_num_outputs="2"> | |
12943 <conditional name="adv_opts_cond"> | |
12944 <param name="adv_opts_selector" value="advanced"/> | |
12945 <param name="remove_duplicate_psm" value="false"/> | |
12946 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12947 <param name="force" value="false"/> | |
12948 <param name="test" value="true"/> | |
12949 </conditional> | |
12950 <param name="in" value="IDFilter_10_input.idXML"/> | |
12951 <output name="out" file="IDFilter_10_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12952 <param name="var_mods" value="false"/> | |
12953 <param name="remove_shared_peptides" value="false"/> | |
12954 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12955 <param name="remove_decoys" value="false"/> | |
12956 <param name="delete_unreferenced_peptide_hits" value="true"/> | |
12957 <section name="precursor"> | |
12958 <param name="rt" value=":"/> | |
12959 <param name="mz" value=":"/> | |
12960 <param name="length" value=":"/> | |
12961 <param name="charge" value=":"/> | |
12962 </section> | |
12963 <section name="score"> | |
12964 <param name="pep" value="0.0"/> | |
12965 <param name="prot" value="0.3"/> | |
12966 <param name="protgroup" value="0.0"/> | |
12967 </section> | |
12968 <section name="whitelist"> | |
12969 <param name="protein_accessions" value=""/> | |
12970 <param name="ignore_modifications" value="false"/> | |
12971 <param name="modifications" value=""/> | |
12972 </section> | |
12973 <section name="blacklist"> | |
12974 <param name="protein_accessions" value=""/> | |
12975 <param name="ignore_modifications" value="false"/> | |
12976 <param name="modifications" value=""/> | |
12977 </section> | |
12978 <section name="in_silico_digestion"> | |
12979 <param name="enzyme" value="Trypsin"/> | |
12980 <param name="specificity" value="full"/> | |
12981 <param name="missed_cleavages" value="-1"/> | |
12982 <param name="methionine_cleavage" value="false"/> | |
12983 </section> | |
12984 <section name="missed_cleavages"> | |
12985 <param name="number_of_missed_cleavages" value=":"/> | |
12986 <param name="enzyme" value="Trypsin"/> | |
12987 </section> | |
12988 <section name="rt"> | |
12989 <param name="p_value" value="0.0"/> | |
12990 <param name="p_value_1st_dim" value="0.0"/> | |
12991 </section> | |
12992 <section name="mz"> | |
12993 <param name="error" value="-1.0"/> | |
12994 <param name="unit" value="ppm"/> | |
12995 </section> | |
12996 <section name="best"> | |
12997 <param name="n_peptide_hits" value="0"/> | |
12998 <param name="n_protein_hits" value="0"/> | |
12999 <param name="strict" value="false"/> | |
13000 <param name="n_to_m_peptide_hits" value=":"/> | |
13001 </section> | |
13002 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13003 <output name="ctd_out" ftype="xml"> | |
13004 <assert_contents> | |
13005 <is_valid_xml/> | |
13006 </assert_contents> | |
13007 </output> | |
13008 </test> | |
13009 <test expect_num_outputs="2"> | |
13010 <conditional name="adv_opts_cond"> | |
13011 <param name="adv_opts_selector" value="advanced"/> | |
13012 <param name="remove_duplicate_psm" value="false"/> | |
13013 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13014 <param name="force" value="false"/> | |
13015 <param name="test" value="true"/> | |
13016 </conditional> | |
13017 <param name="in" value="IDFilter_11_input.idXML"/> | |
13018 <output name="out" file="IDFilter_11_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13019 <param name="var_mods" value="false"/> | |
13020 <param name="remove_shared_peptides" value="false"/> | |
13021 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13022 <param name="remove_decoys" value="true"/> | |
13023 <param name="delete_unreferenced_peptide_hits" value="true"/> | |
13024 <section name="precursor"> | |
13025 <param name="rt" value=":"/> | |
13026 <param name="mz" value=":"/> | |
13027 <param name="length" value=":"/> | |
13028 <param name="charge" value=":"/> | |
13029 </section> | |
13030 <section name="score"> | |
13031 <param name="pep" value="0.0"/> | |
13032 <param name="prot" value="0.0"/> | |
13033 <param name="protgroup" value="0.0"/> | |
13034 </section> | |
13035 <section name="whitelist"> | |
13036 <param name="protein_accessions" value=""/> | |
13037 <param name="ignore_modifications" value="false"/> | |
13038 <param name="modifications" value=""/> | |
13039 </section> | |
13040 <section name="blacklist"> | |
13041 <param name="protein_accessions" value=""/> | |
13042 <param name="ignore_modifications" value="false"/> | |
13043 <param name="modifications" value=""/> | |
13044 </section> | |
13045 <section name="in_silico_digestion"> | |
13046 <param name="enzyme" value="Trypsin"/> | |
13047 <param name="specificity" value="full"/> | |
13048 <param name="missed_cleavages" value="-1"/> | |
13049 <param name="methionine_cleavage" value="false"/> | |
13050 </section> | |
13051 <section name="missed_cleavages"> | |
13052 <param name="number_of_missed_cleavages" value=":"/> | |
13053 <param name="enzyme" value="Trypsin"/> | |
13054 </section> | |
13055 <section name="rt"> | |
13056 <param name="p_value" value="0.0"/> | |
13057 <param name="p_value_1st_dim" value="0.0"/> | |
13058 </section> | |
13059 <section name="mz"> | |
13060 <param name="error" value="-1.0"/> | |
13061 <param name="unit" value="ppm"/> | |
13062 </section> | |
13063 <section name="best"> | |
13064 <param name="n_peptide_hits" value="0"/> | |
13065 <param name="n_protein_hits" value="0"/> | |
13066 <param name="strict" value="false"/> | |
13067 <param name="n_to_m_peptide_hits" value=":"/> | |
13068 </section> | |
13069 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13070 <output name="ctd_out" ftype="xml"> | |
13071 <assert_contents> | |
13072 <is_valid_xml/> | |
13073 </assert_contents> | |
13074 </output> | |
13075 </test> | |
13076 <test expect_num_outputs="2"> | |
13077 <conditional name="adv_opts_cond"> | |
13078 <param name="adv_opts_selector" value="advanced"/> | |
13079 <param name="remove_duplicate_psm" value="false"/> | |
13080 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13081 <param name="force" value="false"/> | |
13082 <param name="test" value="true"/> | |
13083 </conditional> | |
13084 <param name="in" value="IDFilter_12_input.idXML"/> | |
13085 <output name="out" file="IDFilter_12_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13086 <param name="var_mods" value="false"/> | |
13087 <param name="remove_shared_peptides" value="false"/> | |
13088 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13089 <param name="remove_decoys" value="false"/> | |
13090 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13091 <section name="precursor"> | |
13092 <param name="rt" value=":"/> | |
13093 <param name="mz" value=":"/> | |
13094 <param name="length" value=":"/> | |
13095 <param name="charge" value=":"/> | |
13096 </section> | |
13097 <section name="score"> | |
13098 <param name="pep" value="0.0"/> | |
13099 <param name="prot" value="0.0"/> | |
13100 <param name="protgroup" value="0.0"/> | |
13101 </section> | |
13102 <section name="whitelist"> | |
13103 <param name="protein_accessions" value=""/> | |
13104 <param name="ignore_modifications" value="false"/> | |
13105 <param name="modifications" value=""/> | |
13106 </section> | |
13107 <section name="blacklist"> | |
13108 <param name="protein_accessions" value=""/> | |
13109 <param name="ignore_modifications" value="false"/> | |
13110 <param name="modifications" value=""/> | |
13111 </section> | |
13112 <section name="in_silico_digestion"> | |
13113 <param name="fasta" value="IDFilter_12_input.fasta"/> | |
13114 <param name="enzyme" value="Trypsin"/> | |
13115 <param name="specificity" value="full"/> | |
13116 <param name="missed_cleavages" value="-1"/> | |
13117 <param name="methionine_cleavage" value="false"/> | |
13118 </section> | |
13119 <section name="missed_cleavages"> | |
13120 <param name="number_of_missed_cleavages" value=":"/> | |
13121 <param name="enzyme" value="Trypsin"/> | |
13122 </section> | |
13123 <section name="rt"> | |
13124 <param name="p_value" value="0.0"/> | |
13125 <param name="p_value_1st_dim" value="0.0"/> | |
13126 </section> | |
13127 <section name="mz"> | |
13128 <param name="error" value="-1.0"/> | |
13129 <param name="unit" value="ppm"/> | |
13130 </section> | |
13131 <section name="best"> | |
13132 <param name="n_peptide_hits" value="0"/> | |
13133 <param name="n_protein_hits" value="0"/> | |
13134 <param name="strict" value="false"/> | |
13135 <param name="n_to_m_peptide_hits" value=":"/> | |
13136 </section> | |
13137 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13138 <output name="ctd_out" ftype="xml"> | |
13139 <assert_contents> | |
13140 <is_valid_xml/> | |
13141 </assert_contents> | |
13142 </output> | |
13143 </test> | |
13144 <test expect_num_outputs="2"> | |
13145 <conditional name="adv_opts_cond"> | |
13146 <param name="adv_opts_selector" value="advanced"/> | |
13147 <param name="remove_duplicate_psm" value="false"/> | |
13148 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13149 <param name="force" value="false"/> | |
13150 <param name="test" value="true"/> | |
13151 </conditional> | |
13152 <param name="in" value="IDFilter_13_input.idXML"/> | |
13153 <output name="out" file="IDFilter_13_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13154 <param name="var_mods" value="false"/> | |
13155 <param name="remove_shared_peptides" value="false"/> | |
13156 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13157 <param name="remove_decoys" value="false"/> | |
13158 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13159 <section name="precursor"> | |
13160 <param name="rt" value=":"/> | |
13161 <param name="mz" value=":"/> | |
13162 <param name="length" value=":"/> | |
13163 <param name="charge" value=":"/> | |
13164 </section> | |
13165 <section name="score"> | |
13166 <param name="pep" value="0.0"/> | |
13167 <param name="prot" value="0.0"/> | |
13168 <param name="protgroup" value="0.0"/> | |
13169 </section> | |
13170 <section name="whitelist"> | |
13171 <param name="protein_accessions" value=""/> | |
13172 <param name="ignore_modifications" value="false"/> | |
13173 <param name="modifications" value=""/> | |
13174 </section> | |
13175 <section name="blacklist"> | |
13176 <param name="protein_accessions" value=""/> | |
13177 <param name="ignore_modifications" value="false"/> | |
13178 <param name="modifications" value=""/> | |
13179 </section> | |
13180 <section name="in_silico_digestion"> | |
13181 <param name="fasta" value="IDFilter_13_input.fasta"/> | |
13182 <param name="enzyme" value="Trypsin"/> | |
13183 <param name="specificity" value="full"/> | |
13184 <param name="missed_cleavages" value="1"/> | |
13185 <param name="methionine_cleavage" value="false"/> | |
13186 </section> | |
13187 <section name="missed_cleavages"> | |
13188 <param name="number_of_missed_cleavages" value=":"/> | |
13189 <param name="enzyme" value="Trypsin"/> | |
13190 </section> | |
13191 <section name="rt"> | |
13192 <param name="p_value" value="0.0"/> | |
13193 <param name="p_value_1st_dim" value="0.0"/> | |
13194 </section> | |
13195 <section name="mz"> | |
13196 <param name="error" value="-1.0"/> | |
13197 <param name="unit" value="ppm"/> | |
13198 </section> | |
13199 <section name="best"> | |
13200 <param name="n_peptide_hits" value="0"/> | |
13201 <param name="n_protein_hits" value="0"/> | |
13202 <param name="strict" value="false"/> | |
13203 <param name="n_to_m_peptide_hits" value=":"/> | |
13204 </section> | |
13205 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13206 <output name="ctd_out" ftype="xml"> | |
13207 <assert_contents> | |
13208 <is_valid_xml/> | |
13209 </assert_contents> | |
13210 </output> | |
13211 </test> | |
13212 <test expect_num_outputs="2"> | |
13213 <conditional name="adv_opts_cond"> | |
13214 <param name="adv_opts_selector" value="advanced"/> | |
13215 <param name="remove_duplicate_psm" value="false"/> | |
13216 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13217 <param name="force" value="false"/> | |
13218 <param name="test" value="true"/> | |
13219 </conditional> | |
13220 <param name="in" value="IDFilter_14_input.idXML"/> | |
13221 <output name="out" file="IDFilter_14_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13222 <param name="var_mods" value="false"/> | |
13223 <param name="remove_shared_peptides" value="false"/> | |
13224 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13225 <param name="remove_decoys" value="false"/> | |
13226 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13227 <section name="precursor"> | |
13228 <param name="rt" value=":"/> | |
13229 <param name="mz" value=":"/> | |
13230 <param name="length" value=":"/> | |
13231 <param name="charge" value=":"/> | |
13232 </section> | |
13233 <section name="score"> | |
13234 <param name="pep" value="0.0"/> | |
13235 <param name="prot" value="0.0"/> | |
13236 <param name="protgroup" value="0.0"/> | |
13237 </section> | |
13238 <section name="whitelist"> | |
13239 <param name="protein_accessions" value=""/> | |
13240 <param name="ignore_modifications" value="false"/> | |
13241 <param name="modifications" value=""/> | |
13242 </section> | |
13243 <section name="blacklist"> | |
13244 <param name="protein_accessions" value=""/> | |
13245 <param name="ignore_modifications" value="false"/> | |
13246 <param name="modifications" value=""/> | |
13247 </section> | |
13248 <section name="in_silico_digestion"> | |
13249 <param name="fasta" value="IDFilter_14_input.fasta"/> | |
13250 <param name="enzyme" value="Trypsin/P"/> | |
13251 <param name="specificity" value="full"/> | |
13252 <param name="missed_cleavages" value="1"/> | |
13253 <param name="methionine_cleavage" value="false"/> | |
13254 </section> | |
13255 <section name="missed_cleavages"> | |
13256 <param name="number_of_missed_cleavages" value=":"/> | |
13257 <param name="enzyme" value="Trypsin"/> | |
13258 </section> | |
13259 <section name="rt"> | |
13260 <param name="p_value" value="0.0"/> | |
13261 <param name="p_value_1st_dim" value="0.0"/> | |
13262 </section> | |
13263 <section name="mz"> | |
13264 <param name="error" value="-1.0"/> | |
13265 <param name="unit" value="ppm"/> | |
13266 </section> | |
13267 <section name="best"> | |
13268 <param name="n_peptide_hits" value="0"/> | |
13269 <param name="n_protein_hits" value="0"/> | |
13270 <param name="strict" value="false"/> | |
13271 <param name="n_to_m_peptide_hits" value=":"/> | |
13272 </section> | |
13273 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13274 <output name="ctd_out" ftype="xml"> | |
13275 <assert_contents> | |
13276 <is_valid_xml/> | |
13277 </assert_contents> | |
13278 </output> | |
13279 </test> | |
13280 <test expect_num_outputs="2"> | |
13281 <conditional name="adv_opts_cond"> | |
13282 <param name="adv_opts_selector" value="advanced"/> | |
13283 <param name="remove_duplicate_psm" value="false"/> | |
13284 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13285 <param name="force" value="false"/> | |
13286 <param name="test" value="true"/> | |
13287 </conditional> | |
13288 <param name="in" value="IDFilter_15_input.idXML"/> | |
13289 <output name="out" file="IDFilter_15_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13290 <param name="var_mods" value="false"/> | |
13291 <param name="remove_shared_peptides" value="false"/> | |
13292 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13293 <param name="remove_decoys" value="false"/> | |
13294 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13295 <section name="precursor"> | |
13296 <param name="rt" value=":"/> | |
13297 <param name="mz" value=":"/> | |
13298 <param name="length" value=":"/> | |
13299 <param name="charge" value=":"/> | |
13300 </section> | |
13301 <section name="score"> | |
13302 <param name="pep" value="0.0"/> | |
13303 <param name="prot" value="0.0"/> | |
13304 <param name="protgroup" value="0.0"/> | |
13305 </section> | |
13306 <section name="whitelist"> | |
13307 <param name="protein_accessions" value=""/> | |
13308 <param name="ignore_modifications" value="false"/> | |
13309 <param name="modifications" value=""/> | |
13310 </section> | |
13311 <section name="blacklist"> | |
13312 <param name="protein_accessions" value=""/> | |
13313 <param name="ignore_modifications" value="false"/> | |
13314 <param name="modifications" value=""/> | |
13315 </section> | |
13316 <section name="in_silico_digestion"> | |
13317 <param name="fasta" value="IDFilter_15_input.fasta"/> | |
13318 <param name="enzyme" value="Trypsin/P"/> | |
13319 <param name="specificity" value="semi"/> | |
13320 <param name="missed_cleavages" value="1"/> | |
13321 <param name="methionine_cleavage" value="false"/> | |
13322 </section> | |
13323 <section name="missed_cleavages"> | |
13324 <param name="number_of_missed_cleavages" value=":"/> | |
13325 <param name="enzyme" value="Trypsin"/> | |
13326 </section> | |
13327 <section name="rt"> | |
13328 <param name="p_value" value="0.0"/> | |
13329 <param name="p_value_1st_dim" value="0.0"/> | |
13330 </section> | |
13331 <section name="mz"> | |
13332 <param name="error" value="-1.0"/> | |
13333 <param name="unit" value="ppm"/> | |
13334 </section> | |
13335 <section name="best"> | |
13336 <param name="n_peptide_hits" value="0"/> | |
13337 <param name="n_protein_hits" value="0"/> | |
13338 <param name="strict" value="false"/> | |
13339 <param name="n_to_m_peptide_hits" value=":"/> | |
13340 </section> | |
13341 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13342 <output name="ctd_out" ftype="xml"> | |
13343 <assert_contents> | |
13344 <is_valid_xml/> | |
13345 </assert_contents> | |
13346 </output> | |
13347 </test> | |
13348 <test expect_num_outputs="2"> | |
13349 <conditional name="adv_opts_cond"> | |
13350 <param name="adv_opts_selector" value="advanced"/> | |
13351 <param name="remove_duplicate_psm" value="false"/> | |
13352 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13353 <param name="force" value="false"/> | |
13354 <param name="test" value="true"/> | |
13355 </conditional> | |
13356 <param name="in" value="IDFilter_16_input.idXML"/> | |
13357 <output name="out" file="IDFilter_16_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13358 <param name="var_mods" value="false"/> | |
13359 <param name="remove_shared_peptides" value="false"/> | |
13360 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13361 <param name="remove_decoys" value="false"/> | |
13362 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13363 <section name="precursor"> | |
13364 <param name="rt" value=":"/> | |
13365 <param name="mz" value=":"/> | |
13366 <param name="length" value=":"/> | |
13367 <param name="charge" value=":"/> | |
13368 </section> | |
13369 <section name="score"> | |
13370 <param name="pep" value="0.0"/> | |
13371 <param name="prot" value="0.0"/> | |
13372 <param name="protgroup" value="0.0"/> | |
13373 </section> | |
13374 <section name="whitelist"> | |
13375 <param name="protein_accessions" value=""/> | |
13376 <param name="ignore_modifications" value="false"/> | |
13377 <param name="modifications" value=""/> | |
13378 </section> | |
13379 <section name="blacklist"> | |
13380 <param name="protein_accessions" value=""/> | |
13381 <param name="ignore_modifications" value="false"/> | |
13382 <param name="modifications" value=""/> | |
13383 </section> | |
13384 <section name="in_silico_digestion"> | |
13385 <param name="fasta" value="IDFilter_16_input.fasta"/> | |
13386 <param name="enzyme" value="Trypsin/P"/> | |
13387 <param name="specificity" value="full"/> | |
13388 <param name="missed_cleavages" value="1"/> | |
13389 <param name="methionine_cleavage" value="true"/> | |
13390 </section> | |
13391 <section name="missed_cleavages"> | |
13392 <param name="number_of_missed_cleavages" value=":"/> | |
13393 <param name="enzyme" value="Trypsin"/> | |
13394 </section> | |
13395 <section name="rt"> | |
13396 <param name="p_value" value="0.0"/> | |
13397 <param name="p_value_1st_dim" value="0.0"/> | |
13398 </section> | |
13399 <section name="mz"> | |
13400 <param name="error" value="-1.0"/> | |
13401 <param name="unit" value="ppm"/> | |
13402 </section> | |
13403 <section name="best"> | |
13404 <param name="n_peptide_hits" value="0"/> | |
13405 <param name="n_protein_hits" value="0"/> | |
13406 <param name="strict" value="false"/> | |
13407 <param name="n_to_m_peptide_hits" value=":"/> | |
13408 </section> | |
13409 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13410 <output name="ctd_out" ftype="xml"> | |
13411 <assert_contents> | |
13412 <is_valid_xml/> | |
13413 </assert_contents> | |
13414 </output> | |
13415 </test> | |
13416 <test expect_num_outputs="2"> | |
13417 <conditional name="adv_opts_cond"> | |
13418 <param name="adv_opts_selector" value="advanced"/> | |
13419 <param name="remove_duplicate_psm" value="false"/> | |
13420 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13421 <param name="force" value="false"/> | |
13422 <param name="test" value="true"/> | |
13423 </conditional> | |
13424 <param name="in" value="IDFilter_missed_cleavages_input.idXML"/> | |
13425 <output name="out" file="IDFilter_17_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13426 <param name="var_mods" value="false"/> | |
13427 <param name="remove_shared_peptides" value="false"/> | |
13428 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13429 <param name="remove_decoys" value="false"/> | |
13430 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13431 <section name="precursor"> | |
13432 <param name="rt" value=":"/> | |
13433 <param name="mz" value=":"/> | |
13434 <param name="length" value=":"/> | |
13435 <param name="charge" value=":"/> | |
13436 </section> | |
13437 <section name="score"> | |
13438 <param name="pep" value="0.0"/> | |
13439 <param name="prot" value="0.0"/> | |
13440 <param name="protgroup" value="0.0"/> | |
13441 </section> | |
13442 <section name="whitelist"> | |
13443 <param name="protein_accessions" value=""/> | |
13444 <param name="ignore_modifications" value="false"/> | |
13445 <param name="modifications" value=""/> | |
13446 </section> | |
13447 <section name="blacklist"> | |
13448 <param name="protein_accessions" value=""/> | |
13449 <param name="ignore_modifications" value="false"/> | |
13450 <param name="modifications" value=""/> | |
13451 </section> | |
13452 <section name="in_silico_digestion"> | |
13453 <param name="enzyme" value="Trypsin"/> | |
13454 <param name="specificity" value="full"/> | |
13455 <param name="missed_cleavages" value="-1"/> | |
13456 <param name="methionine_cleavage" value="false"/> | |
13457 </section> | |
13458 <section name="missed_cleavages"> | |
13459 <param name="number_of_missed_cleavages" value=":2"/> | |
13460 <param name="enzyme" value="Lys-N"/> | |
13461 </section> | |
13462 <section name="rt"> | |
13463 <param name="p_value" value="0.0"/> | |
13464 <param name="p_value_1st_dim" value="0.0"/> | |
13465 </section> | |
13466 <section name="mz"> | |
13467 <param name="error" value="-1.0"/> | |
13468 <param name="unit" value="ppm"/> | |
13469 </section> | |
13470 <section name="best"> | |
13471 <param name="n_peptide_hits" value="0"/> | |
13472 <param name="n_protein_hits" value="0"/> | |
13473 <param name="strict" value="false"/> | |
13474 <param name="n_to_m_peptide_hits" value=":"/> | |
13475 </section> | |
13476 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13477 <output name="ctd_out" ftype="xml"> | |
13478 <assert_contents> | |
13479 <is_valid_xml/> | |
13480 </assert_contents> | |
13481 </output> | |
13482 </test> | |
13483 <test expect_num_outputs="2"> | |
13484 <conditional name="adv_opts_cond"> | |
13485 <param name="adv_opts_selector" value="advanced"/> | |
13486 <param name="remove_duplicate_psm" value="false"/> | |
13487 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13488 <param name="force" value="false"/> | |
13489 <param name="test" value="true"/> | |
13490 </conditional> | |
13491 <param name="in" value="IDFilter_missed_cleavages_input.idXML"/> | |
13492 <output name="out" file="IDFilter_18_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13493 <param name="var_mods" value="false"/> | |
13494 <param name="remove_shared_peptides" value="false"/> | |
13495 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13496 <param name="remove_decoys" value="false"/> | |
13497 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13498 <section name="precursor"> | |
13499 <param name="rt" value=":"/> | |
13500 <param name="mz" value=":"/> | |
13501 <param name="length" value=":"/> | |
13502 <param name="charge" value=":"/> | |
13503 </section> | |
13504 <section name="score"> | |
13505 <param name="pep" value="0.0"/> | |
13506 <param name="prot" value="0.0"/> | |
13507 <param name="protgroup" value="0.0"/> | |
13508 </section> | |
13509 <section name="whitelist"> | |
13510 <param name="protein_accessions" value=""/> | |
13511 <param name="ignore_modifications" value="false"/> | |
13512 <param name="modifications" value=""/> | |
13513 </section> | |
13514 <section name="blacklist"> | |
13515 <param name="protein_accessions" value=""/> | |
13516 <param name="ignore_modifications" value="false"/> | |
13517 <param name="modifications" value=""/> | |
13518 </section> | |
13519 <section name="in_silico_digestion"> | |
13520 <param name="enzyme" value="Trypsin"/> | |
13521 <param name="specificity" value="full"/> | |
13522 <param name="missed_cleavages" value="-1"/> | |
13523 <param name="methionine_cleavage" value="false"/> | |
13524 </section> | |
13525 <section name="missed_cleavages"> | |
13526 <param name="number_of_missed_cleavages" value="2:"/> | |
13527 <param name="enzyme" value="Lys-N"/> | |
13528 </section> | |
13529 <section name="rt"> | |
13530 <param name="p_value" value="0.0"/> | |
13531 <param name="p_value_1st_dim" value="0.0"/> | |
13532 </section> | |
13533 <section name="mz"> | |
13534 <param name="error" value="-1.0"/> | |
13535 <param name="unit" value="ppm"/> | |
13536 </section> | |
13537 <section name="best"> | |
13538 <param name="n_peptide_hits" value="0"/> | |
13539 <param name="n_protein_hits" value="0"/> | |
13540 <param name="strict" value="false"/> | |
13541 <param name="n_to_m_peptide_hits" value=":"/> | |
13542 </section> | |
13543 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13544 <output name="ctd_out" ftype="xml"> | |
13545 <assert_contents> | |
13546 <is_valid_xml/> | |
13547 </assert_contents> | |
13548 </output> | |
13549 </test> | |
13550 <test expect_num_outputs="2"> | |
13551 <conditional name="adv_opts_cond"> | |
13552 <param name="adv_opts_selector" value="advanced"/> | |
13553 <param name="remove_duplicate_psm" value="false"/> | |
13554 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13555 <param name="force" value="false"/> | |
13556 <param name="test" value="true"/> | |
13557 </conditional> | |
13558 <param name="in" value="IDFilter_missed_cleavages_input.idXML"/> | |
13559 <output name="out" file="IDFilter_19_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13560 <param name="var_mods" value="false"/> | |
13561 <param name="remove_shared_peptides" value="false"/> | |
13562 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13563 <param name="remove_decoys" value="false"/> | |
13564 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13565 <section name="precursor"> | |
13566 <param name="rt" value=":"/> | |
13567 <param name="mz" value=":"/> | |
13568 <param name="length" value=":"/> | |
13569 <param name="charge" value=":"/> | |
13570 </section> | |
13571 <section name="score"> | |
13572 <param name="pep" value="0.0"/> | |
13573 <param name="prot" value="0.0"/> | |
13574 <param name="protgroup" value="0.0"/> | |
13575 </section> | |
13576 <section name="whitelist"> | |
13577 <param name="protein_accessions" value=""/> | |
13578 <param name="ignore_modifications" value="false"/> | |
13579 <param name="modifications" value=""/> | |
13580 </section> | |
13581 <section name="blacklist"> | |
13582 <param name="protein_accessions" value=""/> | |
13583 <param name="ignore_modifications" value="false"/> | |
13584 <param name="modifications" value=""/> | |
13585 </section> | |
13586 <section name="in_silico_digestion"> | |
13587 <param name="enzyme" value="Trypsin"/> | |
13588 <param name="specificity" value="full"/> | |
13589 <param name="missed_cleavages" value="-1"/> | |
13590 <param name="methionine_cleavage" value="false"/> | |
13591 </section> | |
13592 <section name="missed_cleavages"> | |
13593 <param name="number_of_missed_cleavages" value="1:3"/> | |
13594 <param name="enzyme" value="Lys-N"/> | |
13595 </section> | |
13596 <section name="rt"> | |
13597 <param name="p_value" value="0.0"/> | |
13598 <param name="p_value_1st_dim" value="0.0"/> | |
13599 </section> | |
13600 <section name="mz"> | |
13601 <param name="error" value="-1.0"/> | |
13602 <param name="unit" value="ppm"/> | |
13603 </section> | |
13604 <section name="best"> | |
13605 <param name="n_peptide_hits" value="0"/> | |
13606 <param name="n_protein_hits" value="0"/> | |
13607 <param name="strict" value="false"/> | |
13608 <param name="n_to_m_peptide_hits" value=":"/> | |
13609 </section> | |
13610 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13611 <output name="ctd_out" ftype="xml"> | |
13612 <assert_contents> | |
13613 <is_valid_xml/> | |
13614 </assert_contents> | |
13615 </output> | |
13616 </test> | |
13617 <test expect_num_outputs="2"> | |
13618 <conditional name="adv_opts_cond"> | |
13619 <param name="adv_opts_selector" value="advanced"/> | |
13620 <param name="remove_duplicate_psm" value="false"/> | |
13621 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13622 <param name="force" value="false"/> | |
13623 <param name="test" value="true"/> | |
13624 </conditional> | |
13625 <param name="in" value="IDFilter_missed_cleavages_input.idXML"/> | |
13626 <output name="out" file="IDFilter_20_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13627 <param name="var_mods" value="false"/> | |
13628 <param name="remove_shared_peptides" value="false"/> | |
13629 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13630 <param name="remove_decoys" value="false"/> | |
13631 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13632 <section name="precursor"> | |
13633 <param name="rt" value=":"/> | |
13634 <param name="mz" value=":"/> | |
13635 <param name="length" value=":"/> | |
13636 <param name="charge" value=":"/> | |
13637 </section> | |
13638 <section name="score"> | |
13639 <param name="pep" value="0.0"/> | |
13640 <param name="prot" value="0.0"/> | |
13641 <param name="protgroup" value="0.0"/> | |
13642 </section> | |
13643 <section name="whitelist"> | |
13644 <param name="protein_accessions" value=""/> | |
13645 <param name="ignore_modifications" value="false"/> | |
13646 <param name="modifications" value=""/> | |
13647 </section> | |
13648 <section name="blacklist"> | |
13649 <param name="protein_accessions" value=""/> | |
13650 <param name="ignore_modifications" value="false"/> | |
13651 <param name="modifications" value=""/> | |
13652 </section> | |
13653 <section name="in_silico_digestion"> | |
13654 <param name="enzyme" value="Trypsin"/> | |
13655 <param name="specificity" value="full"/> | |
13656 <param name="missed_cleavages" value="-1"/> | |
13657 <param name="methionine_cleavage" value="false"/> | |
13658 </section> | |
13659 <section name="missed_cleavages"> | |
13660 <param name="number_of_missed_cleavages" value="1:0"/> | |
13661 <param name="enzyme" value="Trypsin"/> | |
13662 </section> | |
13663 <section name="rt"> | |
13664 <param name="p_value" value="0.0"/> | |
13665 <param name="p_value_1st_dim" value="0.0"/> | |
13666 </section> | |
13667 <section name="mz"> | |
13668 <param name="error" value="-1.0"/> | |
13669 <param name="unit" value="ppm"/> | |
13670 </section> | |
13671 <section name="best"> | |
13672 <param name="n_peptide_hits" value="0"/> | |
13673 <param name="n_protein_hits" value="0"/> | |
13674 <param name="strict" value="false"/> | |
13675 <param name="n_to_m_peptide_hits" value=":"/> | |
13676 </section> | |
13677 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13678 <output name="ctd_out" ftype="xml"> | |
13679 <assert_contents> | |
13680 <is_valid_xml/> | |
13681 </assert_contents> | |
13682 </output> | |
13683 </test> | |
13684 <test expect_num_outputs="2"> | |
13685 <conditional name="adv_opts_cond"> | |
13686 <param name="adv_opts_selector" value="advanced"/> | |
13687 <param name="remove_duplicate_psm" value="false"/> | |
13688 <param name="remove_peptide_hits_by_metavalue" value=""calcMZ" "gt" "750.0""/> | |
13689 <param name="force" value="false"/> | |
13690 <param name="test" value="true"/> | |
13691 </conditional> | |
13692 <param name="in" value="IDFilter_16_input.idXML"/> | |
13693 <output name="out" file="IDFilter_21_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13694 <param name="var_mods" value="false"/> | |
13695 <param name="remove_shared_peptides" value="false"/> | |
13696 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13697 <param name="remove_decoys" value="false"/> | |
13698 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13699 <section name="precursor"> | |
13700 <param name="rt" value=":"/> | |
13701 <param name="mz" value=":"/> | |
13702 <param name="length" value=":"/> | |
13703 <param name="charge" value=":"/> | |
13704 </section> | |
13705 <section name="score"> | |
13706 <param name="pep" value="0.0"/> | |
13707 <param name="prot" value="0.0"/> | |
13708 <param name="protgroup" value="0.0"/> | |
13709 </section> | |
13710 <section name="whitelist"> | |
13711 <param name="protein_accessions" value=""/> | |
13712 <param name="ignore_modifications" value="false"/> | |
13713 <param name="modifications" value=""/> | |
13714 </section> | |
13715 <section name="blacklist"> | |
13716 <param name="protein_accessions" value=""/> | |
13717 <param name="ignore_modifications" value="false"/> | |
13718 <param name="modifications" value=""/> | |
13719 </section> | |
13720 <section name="in_silico_digestion"> | |
13721 <param name="enzyme" value="Trypsin"/> | |
13722 <param name="specificity" value="full"/> | |
13723 <param name="missed_cleavages" value="-1"/> | |
13724 <param name="methionine_cleavage" value="false"/> | |
13725 </section> | |
13726 <section name="missed_cleavages"> | |
13727 <param name="number_of_missed_cleavages" value=":"/> | |
13728 <param name="enzyme" value="Trypsin"/> | |
13729 </section> | |
13730 <section name="rt"> | |
13731 <param name="p_value" value="0.0"/> | |
13732 <param name="p_value_1st_dim" value="0.0"/> | |
13733 </section> | |
13734 <section name="mz"> | |
13735 <param name="error" value="-1.0"/> | |
13736 <param name="unit" value="ppm"/> | |
13737 </section> | |
13738 <section name="best"> | |
13739 <param name="n_peptide_hits" value="0"/> | |
13740 <param name="n_protein_hits" value="0"/> | |
13741 <param name="strict" value="false"/> | |
13742 <param name="n_to_m_peptide_hits" value=":"/> | |
13743 </section> | |
13744 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13745 <output name="ctd_out" ftype="xml"> | |
13746 <assert_contents> | |
13747 <is_valid_xml/> | |
13748 </assert_contents> | |
13749 </output> | |
13750 </test> | |
13751 <test expect_num_outputs="2"> | |
13752 <conditional name="adv_opts_cond"> | |
13753 <param name="adv_opts_selector" value="advanced"/> | |
13754 <param name="remove_duplicate_psm" value="false"/> | |
13755 <param name="remove_peptide_hits_by_metavalue" value=""end" "ne" "23""/> | |
13756 <param name="force" value="false"/> | |
13757 <param name="test" value="true"/> | |
13758 </conditional> | |
13759 <param name="in" value="IDFilter_16_input.idXML"/> | |
13760 <output name="out" file="IDFilter_22_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13761 <param name="var_mods" value="false"/> | |
13762 <param name="remove_shared_peptides" value="false"/> | |
13763 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13764 <param name="remove_decoys" value="false"/> | |
13765 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13766 <section name="precursor"> | |
13767 <param name="rt" value=":"/> | |
13768 <param name="mz" value=":"/> | |
13769 <param name="length" value=":"/> | |
13770 <param name="charge" value=":"/> | |
13771 </section> | |
13772 <section name="score"> | |
13773 <param name="pep" value="0.0"/> | |
13774 <param name="prot" value="0.0"/> | |
13775 <param name="protgroup" value="0.0"/> | |
13776 </section> | |
13777 <section name="whitelist"> | |
13778 <param name="protein_accessions" value=""/> | |
13779 <param name="ignore_modifications" value="false"/> | |
13780 <param name="modifications" value=""/> | |
13781 </section> | |
13782 <section name="blacklist"> | |
13783 <param name="protein_accessions" value=""/> | |
13784 <param name="ignore_modifications" value="false"/> | |
13785 <param name="modifications" value=""/> | |
13786 </section> | |
13787 <section name="in_silico_digestion"> | |
13788 <param name="enzyme" value="Trypsin"/> | |
13789 <param name="specificity" value="full"/> | |
13790 <param name="missed_cleavages" value="-1"/> | |
13791 <param name="methionine_cleavage" value="false"/> | |
13792 </section> | |
13793 <section name="missed_cleavages"> | |
13794 <param name="number_of_missed_cleavages" value=":"/> | |
13795 <param name="enzyme" value="Trypsin"/> | |
13796 </section> | |
13797 <section name="rt"> | |
13798 <param name="p_value" value="0.0"/> | |
13799 <param name="p_value_1st_dim" value="0.0"/> | |
13800 </section> | |
13801 <section name="mz"> | |
13802 <param name="error" value="-1.0"/> | |
13803 <param name="unit" value="ppm"/> | |
13804 </section> | |
13805 <section name="best"> | |
13806 <param name="n_peptide_hits" value="0"/> | |
13807 <param name="n_protein_hits" value="0"/> | |
13808 <param name="strict" value="false"/> | |
13809 <param name="n_to_m_peptide_hits" value=":"/> | |
13810 </section> | |
13811 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13812 <output name="ctd_out" ftype="xml"> | |
13813 <assert_contents> | |
13814 <is_valid_xml/> | |
13815 </assert_contents> | |
13816 </output> | |
13817 </test> | |
13818 <test expect_num_outputs="2"> | |
13819 <conditional name="adv_opts_cond"> | |
13820 <param name="adv_opts_selector" value="advanced"/> | |
13821 <param name="remove_duplicate_psm" value="false"/> | |
13822 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13823 <param name="force" value="false"/> | |
13824 <param name="test" value="true"/> | |
13825 </conditional> | |
13826 <param name="in" value="IDMapper_2_output.consensusXML"/> | |
13827 <output name="out" file="IDFilter_23_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
13828 <param name="var_mods" value="false"/> | |
13829 <param name="remove_shared_peptides" value="false"/> | |
13830 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13831 <param name="remove_decoys" value="false"/> | |
13832 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13833 <section name="precursor"> | |
13834 <param name="rt" value=":"/> | |
13835 <param name="mz" value=":"/> | |
13836 <param name="length" value=":"/> | |
13837 <param name="charge" value=":"/> | |
13838 </section> | |
13839 <section name="score"> | |
13840 <param name="pep" value="0.0"/> | |
13841 <param name="prot" value="0.0"/> | |
13842 <param name="protgroup" value="0.0"/> | |
13843 </section> | |
13844 <section name="whitelist"> | |
13845 <param name="protein_accessions" value=""Q9HP81""/> | |
13846 <param name="ignore_modifications" value="false"/> | |
13847 <param name="modifications" value=""/> | |
13848 </section> | |
13849 <section name="blacklist"> | |
13850 <param name="protein_accessions" value=""/> | |
13851 <param name="ignore_modifications" value="false"/> | |
13852 <param name="modifications" value=""/> | |
13853 </section> | |
13854 <section name="in_silico_digestion"> | |
13855 <param name="enzyme" value="Trypsin"/> | |
13856 <param name="specificity" value="full"/> | |
13857 <param name="missed_cleavages" value="-1"/> | |
13858 <param name="methionine_cleavage" value="false"/> | |
13859 </section> | |
13860 <section name="missed_cleavages"> | |
13861 <param name="number_of_missed_cleavages" value=":"/> | |
13862 <param name="enzyme" value="Trypsin"/> | |
13863 </section> | |
13864 <section name="rt"> | |
13865 <param name="p_value" value="0.0"/> | |
13866 <param name="p_value_1st_dim" value="0.0"/> | |
13867 </section> | |
13868 <section name="mz"> | |
13869 <param name="error" value="-1.0"/> | |
13870 <param name="unit" value="ppm"/> | |
13871 </section> | |
13872 <section name="best"> | |
13873 <param name="n_peptide_hits" value="0"/> | |
13874 <param name="n_protein_hits" value="0"/> | |
13875 <param name="strict" value="false"/> | |
13876 <param name="n_to_m_peptide_hits" value=":"/> | |
13877 </section> | |
13878 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13879 <output name="ctd_out" ftype="xml"> | |
13880 <assert_contents> | |
13881 <is_valid_xml/> | |
13882 </assert_contents> | |
13883 </output> | |
13884 </test> | |
13885 <test expect_num_outputs="2"> | |
13886 <conditional name="adv_opts_cond"> | |
13887 <param name="adv_opts_selector" value="advanced"/> | |
13888 <param name="remove_duplicate_psm" value="false"/> | |
13889 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13890 <param name="force" value="false"/> | |
13891 <param name="test" value="true"/> | |
13892 </conditional> | |
13893 <param name="in" value="Epifany_3_out.consensusXML"/> | |
13894 <output name="out" file="IDFilter_24_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
13895 <param name="var_mods" value="false"/> | |
13896 <param name="remove_shared_peptides" value="false"/> | |
13897 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13898 <param name="remove_decoys" value="false"/> | |
13899 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13900 <section name="precursor"> | |
13901 <param name="rt" value=":"/> | |
13902 <param name="mz" value=":"/> | |
13903 <param name="length" value=":"/> | |
13904 <param name="charge" value=":"/> | |
13905 </section> | |
13906 <section name="score"> | |
13907 <param name="pep" value="0.0"/> | |
13908 <param name="prot" value="0.0"/> | |
13909 <param name="protgroup" value="0.99"/> | |
13910 </section> | |
13911 <section name="whitelist"> | |
13912 <param name="protein_accessions" value=""/> | |
13913 <param name="ignore_modifications" value="false"/> | |
13914 <param name="modifications" value=""/> | |
13915 </section> | |
13916 <section name="blacklist"> | |
13917 <param name="protein_accessions" value=""/> | |
13918 <param name="ignore_modifications" value="false"/> | |
13919 <param name="modifications" value=""/> | |
13920 </section> | |
13921 <section name="in_silico_digestion"> | |
13922 <param name="enzyme" value="Trypsin"/> | |
13923 <param name="specificity" value="full"/> | |
13924 <param name="missed_cleavages" value="-1"/> | |
13925 <param name="methionine_cleavage" value="false"/> | |
13926 </section> | |
13927 <section name="missed_cleavages"> | |
13928 <param name="number_of_missed_cleavages" value=":"/> | |
13929 <param name="enzyme" value="Trypsin"/> | |
13930 </section> | |
13931 <section name="rt"> | |
13932 <param name="p_value" value="0.0"/> | |
13933 <param name="p_value_1st_dim" value="0.0"/> | |
13934 </section> | |
13935 <section name="mz"> | |
13936 <param name="error" value="-1.0"/> | |
13937 <param name="unit" value="ppm"/> | |
13938 </section> | |
13939 <section name="best"> | |
13940 <param name="n_peptide_hits" value="0"/> | |
13941 <param name="n_protein_hits" value="0"/> | |
13942 <param name="strict" value="false"/> | |
13943 <param name="n_to_m_peptide_hits" value=":"/> | |
13944 </section> | |
13945 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13946 <output name="ctd_out" ftype="xml"> | |
13947 <assert_contents> | |
13948 <is_valid_xml/> | |
13949 </assert_contents> | |
13950 </output> | |
13951 </test> | |
13952 </xml> | |
13953 <xml name="autotest_IDMapper"> | |
13954 <test expect_num_outputs="2"> | |
13955 <conditional name="adv_opts_cond"> | |
13956 <param name="adv_opts_selector" value="advanced"/> | |
13957 <param name="ignore_charge" value="true"/> | |
13958 <param name="force" value="false"/> | |
13959 <param name="test" value="true"/> | |
13960 </conditional> | |
13961 <param name="id" value="IDMapper_1_input.idXML"/> | |
13962 <param name="in" value="IDMapper_1_input.featureXML"/> | |
13963 <output name="out" file="IDMapper_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
13964 <param name="rt_tolerance" value="5.0"/> | |
13965 <param name="mz_tolerance" value="1.0"/> | |
13966 <param name="mz_measure" value="Da"/> | |
13967 <param name="mz_reference" value="precursor"/> | |
13968 <section name="feature"> | |
13969 <param name="use_centroid_rt" value="false"/> | |
13970 <param name="use_centroid_mz" value="false"/> | |
13971 </section> | |
13972 <section name="consensus"> | |
13973 <param name="use_subelements" value="false"/> | |
13974 <param name="annotate_ids_with_subelements" value="false"/> | |
13975 </section> | |
13976 <section name="spectra"/> | |
13977 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13978 <output name="ctd_out" ftype="xml"> | |
13979 <assert_contents> | |
13980 <is_valid_xml/> | |
13981 </assert_contents> | |
13982 </output> | |
13983 </test> | |
13984 <test expect_num_outputs="2"> | |
13985 <conditional name="adv_opts_cond"> | |
13986 <param name="adv_opts_selector" value="advanced"/> | |
13987 <param name="ignore_charge" value="false"/> | |
13988 <param name="force" value="false"/> | |
13989 <param name="test" value="true"/> | |
13990 </conditional> | |
13991 <param name="id" value="IDMapper_2_input.idXML"/> | |
13992 <param name="in" value="IDMapper_2_input.consensusXML"/> | |
13993 <output name="out" file="IDMapper_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
13994 <param name="rt_tolerance" value="5.0"/> | |
13995 <param name="mz_tolerance" value="1.0"/> | |
13996 <param name="mz_measure" value="Da"/> | |
13997 <param name="mz_reference" value="precursor"/> | |
13998 <section name="feature"> | |
13999 <param name="use_centroid_rt" value="false"/> | |
14000 <param name="use_centroid_mz" value="true"/> | |
14001 </section> | |
14002 <section name="consensus"> | |
14003 <param name="use_subelements" value="false"/> | |
14004 <param name="annotate_ids_with_subelements" value="false"/> | |
14005 </section> | |
14006 <section name="spectra"/> | |
14007 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14008 <output name="ctd_out" ftype="xml"> | |
14009 <assert_contents> | |
14010 <is_valid_xml/> | |
14011 </assert_contents> | |
14012 </output> | |
14013 </test> | |
14014 <test expect_num_outputs="2"> | |
14015 <conditional name="adv_opts_cond"> | |
14016 <param name="adv_opts_selector" value="advanced"/> | |
14017 <param name="ignore_charge" value="true"/> | |
14018 <param name="force" value="false"/> | |
14019 <param name="test" value="true"/> | |
14020 </conditional> | |
14021 <param name="id" value="IDMapper_3_input.idXML"/> | |
14022 <param name="in" value="IDMapper_3_input.featureXML"/> | |
14023 <output name="out" file="IDMapper_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
14024 <param name="rt_tolerance" value="4.0"/> | |
14025 <param name="mz_tolerance" value="3.0"/> | |
14026 <param name="mz_measure" value="ppm"/> | |
14027 <param name="mz_reference" value="precursor"/> | |
14028 <section name="feature"> | |
14029 <param name="use_centroid_rt" value="false"/> | |
14030 <param name="use_centroid_mz" value="true"/> | |
14031 </section> | |
14032 <section name="consensus"> | |
14033 <param name="use_subelements" value="false"/> | |
14034 <param name="annotate_ids_with_subelements" value="false"/> | |
14035 </section> | |
14036 <section name="spectra"/> | |
14037 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14038 <output name="ctd_out" ftype="xml"> | |
14039 <assert_contents> | |
14040 <is_valid_xml/> | |
14041 </assert_contents> | |
14042 </output> | |
14043 </test> | |
14044 <test expect_num_outputs="2"> | |
14045 <conditional name="adv_opts_cond"> | |
14046 <param name="adv_opts_selector" value="advanced"/> | |
14047 <param name="ignore_charge" value="false"/> | |
14048 <param name="force" value="false"/> | |
14049 <param name="test" value="true"/> | |
14050 </conditional> | |
14051 <param name="id" value="IDMapper_4_input.idXML"/> | |
14052 <param name="in" value="IDMapper_4_input.featureXML"/> | |
14053 <output name="out" file="IDMapper_4_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
14054 <param name="rt_tolerance" value="10.0"/> | |
14055 <param name="mz_tolerance" value="20.0"/> | |
14056 <param name="mz_measure" value="ppm"/> | |
14057 <param name="mz_reference" value="peptide"/> | |
14058 <section name="feature"> | |
14059 <param name="use_centroid_rt" value="false"/> | |
14060 <param name="use_centroid_mz" value="true"/> | |
14061 </section> | |
14062 <section name="consensus"> | |
14063 <param name="use_subelements" value="false"/> | |
14064 <param name="annotate_ids_with_subelements" value="false"/> | |
14065 </section> | |
14066 <section name="spectra"> | |
14067 <param name="_in" value="IDMapper_4_input.mzML"/> | |
14068 </section> | |
14069 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14070 <output name="ctd_out" ftype="xml"> | |
14071 <assert_contents> | |
14072 <is_valid_xml/> | |
14073 </assert_contents> | |
14074 </output> | |
14075 </test> | |
14076 <test expect_num_outputs="2"> | |
14077 <conditional name="adv_opts_cond"> | |
14078 <param name="adv_opts_selector" value="advanced"/> | |
14079 <param name="ignore_charge" value="false"/> | |
14080 <param name="force" value="false"/> | |
14081 <param name="test" value="true"/> | |
14082 </conditional> | |
14083 <param name="id" value="IDMapper_5_input.idXML"/> | |
14084 <param name="in" value="IDMapper_5_input.featureXML"/> | |
14085 <output name="out" file="IDMapper_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
14086 <param name="rt_tolerance" value="20.0"/> | |
14087 <param name="mz_tolerance" value="10.0"/> | |
14088 <param name="mz_measure" value="ppm"/> | |
14089 <param name="mz_reference" value="peptide"/> | |
14090 <section name="feature"> | |
14091 <param name="use_centroid_rt" value="false"/> | |
14092 <param name="use_centroid_mz" value="false"/> | |
14093 </section> | |
14094 <section name="consensus"> | |
14095 <param name="use_subelements" value="false"/> | |
14096 <param name="annotate_ids_with_subelements" value="false"/> | |
14097 </section> | |
14098 <section name="spectra"> | |
14099 <param name="_in" value="IDMapper_5_input.mzML"/> | |
14100 </section> | |
14101 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14102 <output name="ctd_out" ftype="xml"> | |
14103 <assert_contents> | |
14104 <is_valid_xml/> | |
14105 </assert_contents> | |
14106 </output> | |
14107 </test> | |
14108 </xml> | |
14109 <xml name="autotest_IDMassAccuracy"> | |
14110 <test expect_num_outputs="5"> | |
14111 <conditional name="adv_opts_cond"> | |
14112 <param name="adv_opts_selector" value="advanced"/> | |
14113 <param name="number_of_bins" value="10"/> | |
14114 <param name="force" value="false"/> | |
14115 <param name="test" value="true"/> | |
14116 </conditional> | |
14117 <param name="in" value="spectra.mzML"/> | |
14118 <param name="id_in" value="MSGFPlusAdapter_1_out.idXML"/> | |
14119 <output name="out_precursor" file="IDMassAccuracy_1_out_precursor.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
14120 <param name="precursor_error_ppm" value="false"/> | |
14121 <output name="out_fragment" file="IDMassAccuracy_1_out_fragment.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
14122 <param name="fragment_error_ppm" value="false"/> | |
14123 <param name="fragment_mass_tolerance" value="0.5"/> | |
14124 <output name="out_precursor_fit" file="IDMassAccuracy_1_out_precursor_fit.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
14125 <output name="out_fragment_fit" file="IDMassAccuracy_1_out_fragment_fit.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
14126 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_precursor_FLAG,out_fragment_FLAG,out_precursor_fit_FLAG,out_fragment_fit_FLAG"/> | |
14127 <output name="ctd_out" ftype="xml"> | |
14128 <assert_contents> | |
14129 <is_valid_xml/> | |
14130 </assert_contents> | |
14131 </output> | |
14132 </test> | |
14133 </xml> | |
14134 <xml name="autotest_IDMerger"> | |
14135 <test expect_num_outputs="2"> | |
14136 <conditional name="adv_opts_cond"> | |
14137 <param name="adv_opts_selector" value="advanced"/> | |
14138 <param name="force" value="false"/> | |
14139 <param name="test" value="true"/> | |
14140 </conditional> | |
14141 <param name="in" value="IDMerger_1_input1.idXML,IDMerger_1_input2.idXML"/> | |
14142 <output name="out" file="IDMerger_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14143 <param name="annotate_file_origin" value="true"/> | |
14144 <param name="pepxml_protxml" value="false"/> | |
14145 <param name="merge_proteins_add_PSMs" value="false"/> | |
14146 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14147 <output name="ctd_out" ftype="xml"> | |
14148 <assert_contents> | |
14149 <is_valid_xml/> | |
14150 </assert_contents> | |
14151 </output> | |
14152 </test> | |
14153 <test expect_num_outputs="2"> | |
14154 <conditional name="adv_opts_cond"> | |
14155 <param name="adv_opts_selector" value="advanced"/> | |
14156 <param name="force" value="false"/> | |
14157 <param name="test" value="true"/> | |
14158 </conditional> | |
14159 <param name="in" value="IDMerger_2_input1.idXML,IDMerger_2_input2.idXML"/> | |
14160 <output name="out" file="IDMerger_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14161 <param name="annotate_file_origin" value="false"/> | |
14162 <param name="pepxml_protxml" value="true"/> | |
14163 <param name="merge_proteins_add_PSMs" value="false"/> | |
14164 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14165 <output name="ctd_out" ftype="xml"> | |
14166 <assert_contents> | |
14167 <is_valid_xml/> | |
14168 </assert_contents> | |
14169 </output> | |
14170 </test> | |
14171 <test expect_num_outputs="2"> | |
14172 <conditional name="adv_opts_cond"> | |
14173 <param name="adv_opts_selector" value="advanced"/> | |
14174 <param name="force" value="false"/> | |
14175 <param name="test" value="true"/> | |
14176 </conditional> | |
14177 <param name="in" value="IDMerger_1_input1.idXML,IDMerger_1_input1_2.idXML"/> | |
14178 <output name="out" file="IDMerger_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14179 <param name="annotate_file_origin" value="false"/> | |
14180 <param name="pepxml_protxml" value="false"/> | |
14181 <param name="merge_proteins_add_PSMs" value="false"/> | |
14182 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14183 <output name="ctd_out" ftype="xml"> | |
14184 <assert_contents> | |
14185 <is_valid_xml/> | |
14186 </assert_contents> | |
14187 </output> | |
14188 </test> | |
14189 <test expect_num_outputs="2"> | |
14190 <conditional name="adv_opts_cond"> | |
14191 <param name="adv_opts_selector" value="advanced"/> | |
14192 <param name="force" value="false"/> | |
14193 <param name="test" value="true"/> | |
14194 </conditional> | |
14195 <param name="in" value="degenerated_empty.idXML,degenerated_empty_2.idXML"/> | |
14196 <output name="out" file="IDMerger_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14197 <param name="annotate_file_origin" value="false"/> | |
14198 <param name="pepxml_protxml" value="false"/> | |
14199 <param name="merge_proteins_add_PSMs" value="false"/> | |
14200 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14201 <output name="ctd_out" ftype="xml"> | |
14202 <assert_contents> | |
14203 <is_valid_xml/> | |
14204 </assert_contents> | |
14205 </output> | |
14206 </test> | |
14207 <test expect_num_outputs="2"> | |
14208 <conditional name="adv_opts_cond"> | |
14209 <param name="adv_opts_selector" value="advanced"/> | |
14210 <param name="force" value="false"/> | |
14211 <param name="test" value="true"/> | |
14212 </conditional> | |
14213 <param name="in" value="IDMerger_2_input1.idXML"/> | |
14214 <output name="out" file="IDMerger_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14215 <param name="add_to" value="IDMerger_5_input1.idXML"/> | |
14216 <param name="annotate_file_origin" value="false"/> | |
14217 <param name="pepxml_protxml" value="false"/> | |
14218 <param name="merge_proteins_add_PSMs" value="false"/> | |
14219 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14220 <output name="ctd_out" ftype="xml"> | |
14221 <assert_contents> | |
14222 <is_valid_xml/> | |
14223 </assert_contents> | |
14224 </output> | |
14225 </test> | |
14226 <test expect_num_outputs="2"> | |
14227 <conditional name="adv_opts_cond"> | |
14228 <param name="adv_opts_selector" value="advanced"/> | |
14229 <param name="force" value="false"/> | |
14230 <param name="test" value="true"/> | |
14231 </conditional> | |
14232 <param name="in" value="IDRipper_3_input1.idXML,IDRipper_3_input2.idXML"/> | |
14233 <output name="out" file="IDRipper_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14234 <param name="annotate_file_origin" value="true"/> | |
14235 <param name="pepxml_protxml" value="false"/> | |
14236 <param name="merge_proteins_add_PSMs" value="false"/> | |
14237 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14238 <output name="ctd_out" ftype="xml"> | |
14239 <assert_contents> | |
14240 <is_valid_xml/> | |
14241 </assert_contents> | |
14242 </output> | |
14243 </test> | |
14244 </xml> | |
14245 <xml name="autotest_IDPosteriorErrorProbability"> | |
14246 <test expect_num_outputs="2"> | |
14247 <conditional name="adv_opts_cond"> | |
14248 <param name="adv_opts_selector" value="advanced"/> | |
14249 <param name="fdr_for_targets_smaller" value="0.05"/> | |
14250 <param name="force" value="false"/> | |
14251 <param name="test" value="true"/> | |
14252 </conditional> | |
14253 <param name="in" value="IDPosteriorErrorProbability_Mascot_input.idXML"/> | |
14254 <output name="out" file="IDPosteriorErrorProbability_Mascot_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14255 <param name="split_charge" value="false"/> | |
14256 <param name="top_hits_only" value="false"/> | |
14257 <param name="ignore_bad_data" value="false"/> | |
14258 <param name="prob_correct" value="false"/> | |
14259 <section name="fit_algorithm"> | |
14260 <param name="number_of_bins" value="100"/> | |
14261 <param name="incorrectly_assigned" value="Gumbel"/> | |
14262 <param name="max_nr_iterations" value="1000"/> | |
14263 <param name="neg_log_delta" value="6"/> | |
14264 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
14265 </section> | |
14266 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14267 <output name="ctd_out" ftype="xml"> | |
14268 <assert_contents> | |
14269 <is_valid_xml/> | |
14270 </assert_contents> | |
14271 </output> | |
14272 </test> | |
14273 <test expect_num_outputs="2"> | |
14274 <conditional name="adv_opts_cond"> | |
14275 <param name="adv_opts_selector" value="advanced"/> | |
14276 <param name="fdr_for_targets_smaller" value="0.05"/> | |
14277 <param name="force" value="false"/> | |
14278 <param name="test" value="true"/> | |
14279 </conditional> | |
14280 <param name="in" value="IDPosteriorErrorProbability_XTandem_input.idXML"/> | |
14281 <output name="out" file="IDPosteriorErrorProbability_XTandem_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14282 <param name="split_charge" value="false"/> | |
14283 <param name="top_hits_only" value="false"/> | |
14284 <param name="ignore_bad_data" value="false"/> | |
14285 <param name="prob_correct" value="false"/> | |
14286 <section name="fit_algorithm"> | |
14287 <param name="number_of_bins" value="100"/> | |
14288 <param name="incorrectly_assigned" value="Gumbel"/> | |
14289 <param name="max_nr_iterations" value="1000"/> | |
14290 <param name="neg_log_delta" value="6"/> | |
14291 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
14292 </section> | |
14293 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14294 <output name="ctd_out" ftype="xml"> | |
14295 <assert_contents> | |
14296 <is_valid_xml/> | |
14297 </assert_contents> | |
14298 </output> | |
14299 </test> | |
14300 <test expect_num_outputs="2"> | |
14301 <conditional name="adv_opts_cond"> | |
14302 <param name="adv_opts_selector" value="advanced"/> | |
14303 <param name="fdr_for_targets_smaller" value="0.05"/> | |
14304 <param name="force" value="false"/> | |
14305 <param name="test" value="true"/> | |
14306 </conditional> | |
14307 <param name="in" value="IDPosteriorErrorProbability_OMSSA_input.idXML"/> | |
14308 <output name="out" file="IDPosteriorErrorProbability_OMSSA_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14309 <param name="split_charge" value="false"/> | |
14310 <param name="top_hits_only" value="false"/> | |
14311 <param name="ignore_bad_data" value="false"/> | |
14312 <param name="prob_correct" value="false"/> | |
14313 <section name="fit_algorithm"> | |
14314 <param name="number_of_bins" value="100"/> | |
14315 <param name="incorrectly_assigned" value="Gumbel"/> | |
14316 <param name="max_nr_iterations" value="1000"/> | |
14317 <param name="neg_log_delta" value="6"/> | |
14318 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
14319 </section> | |
14320 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14321 <output name="ctd_out" ftype="xml"> | |
14322 <assert_contents> | |
14323 <is_valid_xml/> | |
14324 </assert_contents> | |
14325 </output> | |
14326 </test> | |
14327 <test expect_num_outputs="2"> | |
14328 <conditional name="adv_opts_cond"> | |
14329 <param name="adv_opts_selector" value="advanced"/> | |
14330 <param name="fdr_for_targets_smaller" value="0.05"/> | |
14331 <param name="force" value="false"/> | |
14332 <param name="test" value="true"/> | |
14333 </conditional> | |
14334 <param name="in" value="IDPosteriorErrorProbability_OMSSA_input2.idXML"/> | |
14335 <output name="out" file="IDPosteriorErrorProbability_OMSSA_output2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14336 <param name="split_charge" value="true"/> | |
14337 <param name="top_hits_only" value="false"/> | |
14338 <param name="ignore_bad_data" value="false"/> | |
14339 <param name="prob_correct" value="false"/> | |
14340 <section name="fit_algorithm"> | |
14341 <param name="number_of_bins" value="100"/> | |
14342 <param name="incorrectly_assigned" value="Gumbel"/> | |
14343 <param name="max_nr_iterations" value="1000"/> | |
14344 <param name="neg_log_delta" value="6"/> | |
14345 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
14346 </section> | |
14347 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14348 <output name="ctd_out" ftype="xml"> | |
14349 <assert_contents> | |
14350 <is_valid_xml/> | |
14351 </assert_contents> | |
14352 </output> | |
14353 </test> | |
14354 <test expect_num_outputs="2"> | |
14355 <conditional name="adv_opts_cond"> | |
14356 <param name="adv_opts_selector" value="advanced"/> | |
14357 <param name="fdr_for_targets_smaller" value="0.05"/> | |
14358 <param name="force" value="false"/> | |
14359 <param name="test" value="true"/> | |
14360 </conditional> | |
14361 <param name="in" value="IDPosteriorErrorProbability_XTandem_input2.idXML"/> | |
14362 <output name="out" file="IDPosteriorErrorProbability_XTandem_output2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14363 <param name="split_charge" value="true"/> | |
14364 <param name="top_hits_only" value="false"/> | |
14365 <param name="ignore_bad_data" value="false"/> | |
14366 <param name="prob_correct" value="false"/> | |
14367 <section name="fit_algorithm"> | |
14368 <param name="number_of_bins" value="100"/> | |
14369 <param name="incorrectly_assigned" value="Gumbel"/> | |
14370 <param name="max_nr_iterations" value="1000"/> | |
14371 <param name="neg_log_delta" value="6"/> | |
14372 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
14373 </section> | |
14374 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14375 <output name="ctd_out" ftype="xml"> | |
14376 <assert_contents> | |
14377 <is_valid_xml/> | |
14378 </assert_contents> | |
14379 </output> | |
14380 </test> | |
14381 <test expect_num_outputs="2"> | |
14382 <conditional name="adv_opts_cond"> | |
14383 <param name="adv_opts_selector" value="advanced"/> | |
14384 <param name="fdr_for_targets_smaller" value="0.05"/> | |
14385 <param name="force" value="false"/> | |
14386 <param name="test" value="true"/> | |
14387 </conditional> | |
14388 <param name="in" value="IDPosteriorErrorProbability_Mascot_input2.idXML"/> | |
14389 <output name="out" file="IDPosteriorErrorProbability_Mascot_output2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14390 <param name="split_charge" value="true"/> | |
14391 <param name="top_hits_only" value="false"/> | |
14392 <param name="ignore_bad_data" value="false"/> | |
14393 <param name="prob_correct" value="false"/> | |
14394 <section name="fit_algorithm"> | |
14395 <param name="number_of_bins" value="100"/> | |
14396 <param name="incorrectly_assigned" value="Gumbel"/> | |
14397 <param name="max_nr_iterations" value="1000"/> | |
14398 <param name="neg_log_delta" value="6"/> | |
14399 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
14400 </section> | |
14401 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14402 <output name="ctd_out" ftype="xml"> | |
14403 <assert_contents> | |
14404 <is_valid_xml/> | |
14405 </assert_contents> | |
14406 </output> | |
14407 </test> | |
14408 <test expect_num_outputs="2"> | |
14409 <conditional name="adv_opts_cond"> | |
14410 <param name="adv_opts_selector" value="advanced"/> | |
14411 <param name="fdr_for_targets_smaller" value="0.05"/> | |
14412 <param name="force" value="false"/> | |
14413 <param name="test" value="true"/> | |
14414 </conditional> | |
14415 <param name="in" value="IDPosteriorErrorProbability_bad_data.idXML"/> | |
14416 <output name="out" file="IDPosteriorErrorProbability_bad_data_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14417 <param name="split_charge" value="false"/> | |
14418 <param name="top_hits_only" value="false"/> | |
14419 <param name="ignore_bad_data" value="true"/> | |
14420 <param name="prob_correct" value="false"/> | |
14421 <section name="fit_algorithm"> | |
14422 <param name="number_of_bins" value="100"/> | |
14423 <param name="incorrectly_assigned" value="Gumbel"/> | |
14424 <param name="max_nr_iterations" value="1000"/> | |
14425 <param name="neg_log_delta" value="6"/> | |
14426 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
14427 </section> | |
14428 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14429 <output name="ctd_out" ftype="xml"> | |
14430 <assert_contents> | |
14431 <is_valid_xml/> | |
14432 </assert_contents> | |
14433 </output> | |
14434 </test> | |
14435 <test expect_num_outputs="2"> | |
14436 <conditional name="adv_opts_cond"> | |
14437 <param name="adv_opts_selector" value="advanced"/> | |
14438 <param name="fdr_for_targets_smaller" value="0.05"/> | |
14439 <param name="force" value="false"/> | |
14440 <param name="test" value="true"/> | |
14441 </conditional> | |
14442 <param name="in" value="IDPosteriorErrorProbability_OMSSA_input.idXML"/> | |
14443 <output name="out" file="IDPosteriorErrorProbability_prob_correct_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14444 <param name="split_charge" value="false"/> | |
14445 <param name="top_hits_only" value="false"/> | |
14446 <param name="ignore_bad_data" value="false"/> | |
14447 <param name="prob_correct" value="true"/> | |
14448 <section name="fit_algorithm"> | |
14449 <param name="number_of_bins" value="100"/> | |
14450 <param name="incorrectly_assigned" value="Gumbel"/> | |
14451 <param name="max_nr_iterations" value="1000"/> | |
14452 <param name="neg_log_delta" value="6"/> | |
14453 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
14454 </section> | |
14455 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14456 <output name="ctd_out" ftype="xml"> | |
14457 <assert_contents> | |
14458 <is_valid_xml/> | |
14459 </assert_contents> | |
14460 </output> | |
14461 </test> | |
14462 </xml> | |
14463 <xml name="autotest_IDRipper"/> | |
14464 <xml name="autotest_IDRTCalibration"> | |
14465 <test expect_num_outputs="2"> | |
14466 <conditional name="adv_opts_cond"> | |
14467 <param name="adv_opts_selector" value="advanced"/> | |
14468 <param name="force" value="false"/> | |
14469 <param name="test" value="true"/> | |
14470 </conditional> | |
14471 <param name="in" value="IDRTCalibration_1_input.idXML"/> | |
14472 <output name="out" file="IDRTCalibration_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14473 <param name="calibrant_1_reference" value="0.1"/> | |
14474 <param name="calibrant_2_reference" value="0.9"/> | |
14475 <param name="calibrant_1_input" value="10.0"/> | |
14476 <param name="calibrant_2_input" value="90.0"/> | |
14477 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14478 <output name="ctd_out" ftype="xml"> | |
14479 <assert_contents> | |
14480 <is_valid_xml/> | |
14481 </assert_contents> | |
14482 </output> | |
14483 </test> | |
14484 <test expect_num_outputs="2"> | |
14485 <conditional name="adv_opts_cond"> | |
14486 <param name="adv_opts_selector" value="advanced"/> | |
14487 <param name="force" value="false"/> | |
14488 <param name="test" value="true"/> | |
14489 </conditional> | |
14490 <param name="in" value="degenerated_empty.idXML"/> | |
14491 <output name="out" file="IDRTCalibration_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14492 <param name="calibrant_1_reference" value="0.1"/> | |
14493 <param name="calibrant_2_reference" value="0.9"/> | |
14494 <param name="calibrant_1_input" value="10.0"/> | |
14495 <param name="calibrant_2_input" value="90.0"/> | |
14496 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14497 <output name="ctd_out" ftype="xml"> | |
14498 <assert_contents> | |
14499 <is_valid_xml/> | |
14500 </assert_contents> | |
14501 </output> | |
14502 </test> | |
14503 </xml> | |
14504 <xml name="autotest_IDScoreSwitcher"> | |
14505 <test expect_num_outputs="2"> | |
14506 <conditional name="adv_opts_cond"> | |
14507 <param name="adv_opts_selector" value="advanced"/> | |
14508 <param name="force" value="false"/> | |
14509 <param name="test" value="true"/> | |
14510 </conditional> | |
14511 <param name="in" value="IDFileConverter_12_output.idXML"/> | |
14512 <output name="out" file="IDFileConverter_13_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14513 <param name="proteins" value="false"/> | |
14514 <param name="new_score" value="Percolator_PEP"/> | |
14515 <param name="new_score_orientation" value="lower_better"/> | |
14516 <param name="new_score_type" value="Posterior Error Probability"/> | |
14517 <param name="old_score" value="Percolator_qvalue"/> | |
14518 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14519 <output name="ctd_out" ftype="xml"> | |
14520 <assert_contents> | |
14521 <is_valid_xml/> | |
14522 </assert_contents> | |
14523 </output> | |
14524 </test> | |
14525 <test expect_num_outputs="2"> | |
14526 <conditional name="adv_opts_cond"> | |
14527 <param name="adv_opts_selector" value="advanced"/> | |
14528 <param name="force" value="false"/> | |
14529 <param name="test" value="true"/> | |
14530 </conditional> | |
14531 <param name="in" value="IDScoreSwitcher_2_input.idXML"/> | |
14532 <output name="out" file="IDScoreSwitcher_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14533 <param name="proteins" value="true"/> | |
14534 <param name="new_score" value="Posterior Probability_score"/> | |
14535 <param name="new_score_orientation" value="higher_better"/> | |
14536 <param name="new_score_type" value="Posterior Probability"/> | |
14537 <param name="old_score" value=""/> | |
14538 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14539 <output name="ctd_out" ftype="xml"> | |
14540 <assert_contents> | |
14541 <is_valid_xml/> | |
14542 </assert_contents> | |
14543 </output> | |
14544 </test> | |
14545 </xml> | |
14546 <xml name="autotest_IDSplitter"> | |
14547 <test expect_num_outputs="3"> | |
14548 <conditional name="adv_opts_cond"> | |
14549 <param name="adv_opts_selector" value="advanced"/> | |
14550 <param name="force" value="false"/> | |
14551 <param name="test" value="true"/> | |
14552 </conditional> | |
14553 <param name="in" value="IDMapper_1_output.featureXML"/> | |
14554 <output name="out" file="IDSplitter_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
14555 <output name="id_out" file="IDSplitter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14556 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,id_out_FLAG"/> | |
14557 <output name="ctd_out" ftype="xml"> | |
14558 <assert_contents> | |
14559 <is_valid_xml/> | |
14560 </assert_contents> | |
14561 </output> | |
14562 </test> | |
14563 </xml> | |
14564 <xml name="autotest_InternalCalibration"> | |
14565 <test expect_num_outputs="4"> | |
14566 <conditional name="adv_opts_cond"> | |
14567 <param name="adv_opts_selector" value="advanced"/> | |
14568 <param name="force" value="false"/> | |
14569 <param name="test" value="true"/> | |
14570 </conditional> | |
14571 <param name="in" value="InternalCalibration_1_BSA1.mzML"/> | |
14572 <output name="out" file="InternalCalibration_1_BSA1_out.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
14573 <param name="ppm_match_tolerance" value="25.0"/> | |
14574 <param name="ms_level" value="1"/> | |
14575 <param name="RT_chunking" value="-1.0"/> | |
14576 <section name="cal"> | |
14577 <param name="id_in" value="InternalCalibration_1_BSA1_OMSSA.idXML"/> | |
14578 <param name="lock_require_mono" value="false"/> | |
14579 <param name="lock_require_iso" value="false"/> | |
14580 <param name="model_type" value="linear"/> | |
14581 </section> | |
14582 <section name="RANSAC"> | |
14583 <param name="enabled" value="true"/> | |
14584 <param name="threshold" value="1.0"/> | |
14585 <param name="pc_inliers" value="30"/> | |
14586 <param name="iter" value="500"/> | |
14587 </section> | |
14588 <section name="goodness"> | |
14589 <param name="median" value="4.0"/> | |
14590 <param name="MAD" value="2.0"/> | |
14591 </section> | |
14592 <section name="quality_control"/> | |
14593 <output name="quality_control_models" file="InternalCalibration_1_models.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
14594 <output name="quality_control_residuals" file="InternalCalibration_1_residuals.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
14595 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,models_FLAG,residuals_FLAG"/> | |
14596 <output name="ctd_out" ftype="xml"> | |
14597 <assert_contents> | |
14598 <is_valid_xml/> | |
14599 </assert_contents> | |
14600 </output> | |
14601 </test> | |
14602 <test expect_num_outputs="4"> | |
14603 <conditional name="adv_opts_cond"> | |
14604 <param name="adv_opts_selector" value="advanced"/> | |
14605 <param name="force" value="false"/> | |
14606 <param name="test" value="true"/> | |
14607 </conditional> | |
14608 <param name="in" value="InternalCalibration_2_lockmass.mzML.gz"/> | |
14609 <output name="out" file="InternalCalibration_2_lockmass.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
14610 <param name="ppm_match_tolerance" value="25.0"/> | |
14611 <param name="ms_level" value="1 2 3"/> | |
14612 <param name="RT_chunking" value="60.0"/> | |
14613 <section name="cal"> | |
14614 <param name="lock_in" value="InternalCalibration_2_lock.csv" ftype="csv"/> | |
14615 <param name="lock_require_mono" value="true"/> | |
14616 <param name="lock_require_iso" value="false"/> | |
14617 <param name="model_type" value="linear"/> | |
14618 </section> | |
14619 <section name="RANSAC"> | |
14620 <param name="enabled" value="false"/> | |
14621 <param name="threshold" value="10.0"/> | |
14622 <param name="pc_inliers" value="30"/> | |
14623 <param name="iter" value="70"/> | |
14624 </section> | |
14625 <section name="goodness"> | |
14626 <param name="median" value="4.0"/> | |
14627 <param name="MAD" value="2.0"/> | |
14628 </section> | |
14629 <section name="quality_control"/> | |
14630 <output name="quality_control_models" file="InternalCalibration_2_models.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
14631 <output name="quality_control_residuals" file="InternalCalibration_2_residuals.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
14632 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,models_FLAG,residuals_FLAG"/> | |
14633 <output name="ctd_out" ftype="xml"> | |
14634 <assert_contents> | |
14635 <is_valid_xml/> | |
14636 </assert_contents> | |
14637 </output> | |
14638 </test> | |
14639 </xml> | |
14640 <xml name="autotest_IsobaricAnalyzer"> | |
14641 <test expect_num_outputs="2"> | |
14642 <conditional name="adv_opts_cond"> | |
14643 <param name="adv_opts_selector" value="advanced"/> | |
14644 <param name="force" value="false"/> | |
14645 <param name="test" value="true"/> | |
14646 </conditional> | |
14647 <param name="type" value="itraq4plex"/> | |
14648 <param name="in" value="IsobaricAnalyzer_input_1.mzML"/> | |
14649 <output name="out" file="IsobaricAnalyzer_output_1.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
14650 <section name="extraction"> | |
14651 <param name="select_activation" value=""/> | |
14652 <param name="reporter_mass_shift" value="0.1"/> | |
14653 <param name="min_precursor_intensity" value="1.0"/> | |
14654 <param name="keep_unannotated_precursor" value="true"/> | |
14655 <param name="min_reporter_intensity" value="0.0"/> | |
14656 <param name="discard_low_intensity_quantifications" value="false"/> | |
14657 <param name="min_precursor_purity" value="0.0"/> | |
14658 <param name="precursor_isotope_deviation" value="10.0"/> | |
14659 <param name="purity_interpolation" value="true"/> | |
14660 </section> | |
14661 <section name="itraq4plex"> | |
14662 <param name="channel_114_description" value="l1"/> | |
14663 <param name="channel_115_description" value="l2"/> | |
14664 <param name="channel_116_description" value="l3"/> | |
14665 <param name="channel_117_description" value="lung"/> | |
14666 <param name="reference_channel" value="114"/> | |
14667 <param name="correction_matrix" value=""0.0/1.0/5.9/0.2" "0.0/2.0/5.6/0.1" "0.0/3.0/4.5/0.1" "0.1/4.0/3.5/0.1""/> | |
14668 </section> | |
14669 <section name="itraq8plex"> | |
14670 <param name="channel_113_description" value=""/> | |
14671 <param name="channel_114_description" value=""/> | |
14672 <param name="channel_115_description" value=""/> | |
14673 <param name="channel_116_description" value=""/> | |
14674 <param name="channel_117_description" value=""/> | |
14675 <param name="channel_118_description" value=""/> | |
14676 <param name="channel_119_description" value=""/> | |
14677 <param name="channel_121_description" value=""/> | |
14678 <param name="reference_channel" value="113"/> | |
14679 <param name="correction_matrix" value=""0.00/0.00/6.89/0.22" "0.00/0.94/5.90/0.16" "0.00/1.88/4.90/0.10" "0.00/2.82/3.90/0.07" "0.06/3.77/2.99/0.00" "0.09/4.71/1.88/0.00" "0.14/5.66/0.87/0.00" "0.27/7.44/0.18/0.00""/> | |
14680 </section> | |
14681 <section name="quantification"> | |
14682 <param name="isotope_correction" value="true"/> | |
14683 <param name="normalization" value="false"/> | |
14684 </section> | |
14685 <section name="tmt10plex"> | |
14686 <param name="channel_126_description" value=""/> | |
14687 <param name="channel_127N_description" value=""/> | |
14688 <param name="channel_127C_description" value=""/> | |
14689 <param name="channel_128N_description" value=""/> | |
14690 <param name="channel_128C_description" value=""/> | |
14691 <param name="channel_129N_description" value=""/> | |
14692 <param name="channel_129C_description" value=""/> | |
14693 <param name="channel_130N_description" value=""/> | |
14694 <param name="channel_130C_description" value=""/> | |
14695 <param name="channel_131_description" value=""/> | |
14696 <param name="reference_channel" value="126"/> | |
14697 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
14698 </section> | |
14699 <section name="tmt11plex"> | |
14700 <param name="channel_126_description" value=""/> | |
14701 <param name="channel_127N_description" value=""/> | |
14702 <param name="channel_127C_description" value=""/> | |
14703 <param name="channel_128N_description" value=""/> | |
14704 <param name="channel_128C_description" value=""/> | |
14705 <param name="channel_129N_description" value=""/> | |
14706 <param name="channel_129C_description" value=""/> | |
14707 <param name="channel_130N_description" value=""/> | |
14708 <param name="channel_130C_description" value=""/> | |
14709 <param name="channel_131N_description" value=""/> | |
14710 <param name="channel_131C_description" value=""/> | |
14711 <param name="reference_channel" value="126"/> | |
14712 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
14713 </section> | |
14714 <section name="tmt16plex"> | |
14715 <param name="channel_126_description" value=""/> | |
14716 <param name="channel_127N_description" value=""/> | |
14717 <param name="channel_127C_description" value=""/> | |
14718 <param name="channel_128N_description" value=""/> | |
14719 <param name="channel_128C_description" value=""/> | |
14720 <param name="channel_129N_description" value=""/> | |
14721 <param name="channel_129C_description" value=""/> | |
14722 <param name="channel_130N_description" value=""/> | |
14723 <param name="channel_130C_description" value=""/> | |
14724 <param name="channel_131N_description" value=""/> | |
14725 <param name="channel_131C_description" value=""/> | |
14726 <param name="channel_132N_description" value=""/> | |
14727 <param name="channel_132C_description" value=""/> | |
14728 <param name="channel_133N_description" value=""/> | |
14729 <param name="channel_133C_description" value=""/> | |
14730 <param name="channel_134N_description" value=""/> | |
14731 <param name="reference_channel" value="126"/> | |
14732 <param name="correction_matrix" value=""0.0/0.0/8.02/0.0" "0.0/0.68/7.46/0.0" "0.0/0.71/6.94/0.0" "0.0/1.88/6.67/0.0" "0.0/1.34/5.59/0.0" "0.0/2.41/5.48/0.0" "0.0/2.34/5.19/0.0" "0.0/3.53/4.57/0.0" "0.0/2.67/4.16/0.0" "0.0/3.92/3.73/0.0" "0.0/3.69/3.14/0.0" "0.0/3.22/2.76/0.0" "0.0/4.11/2.0/0.0" "0.0/3.85/1.58/0.0" "0.0/4.63/1.18/0.0" "0.0/5.22/0.86/0.0""/> | |
14733 </section> | |
14734 <section name="tmt6plex"> | |
14735 <param name="channel_126_description" value=""/> | |
14736 <param name="channel_127_description" value=""/> | |
14737 <param name="channel_128_description" value=""/> | |
14738 <param name="channel_129_description" value=""/> | |
14739 <param name="channel_130_description" value=""/> | |
14740 <param name="channel_131_description" value=""/> | |
14741 <param name="reference_channel" value="126"/> | |
14742 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
14743 </section> | |
14744 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14745 <output name="ctd_out" ftype="xml"> | |
14746 <assert_contents> | |
14747 <is_valid_xml/> | |
14748 </assert_contents> | |
14749 </output> | |
14750 </test> | |
14751 <test expect_num_outputs="2"> | |
14752 <conditional name="adv_opts_cond"> | |
14753 <param name="adv_opts_selector" value="advanced"/> | |
14754 <param name="force" value="false"/> | |
14755 <param name="test" value="true"/> | |
14756 </conditional> | |
14757 <param name="type" value="itraq4plex"/> | |
14758 <param name="in" value="TMTTenPlexMethod_test.mzML"/> | |
14759 <output name="out" file="TMTTenPlexMethod_test.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
14760 <section name="extraction"> | |
14761 <param name="select_activation" value="High-energy collision-induced dissociation"/> | |
14762 <param name="reporter_mass_shift" value="0.002"/> | |
14763 <param name="min_precursor_intensity" value="1.0"/> | |
14764 <param name="keep_unannotated_precursor" value="true"/> | |
14765 <param name="min_reporter_intensity" value="0.0"/> | |
14766 <param name="discard_low_intensity_quantifications" value="false"/> | |
14767 <param name="min_precursor_purity" value="0.0"/> | |
14768 <param name="precursor_isotope_deviation" value="10.0"/> | |
14769 <param name="purity_interpolation" value="true"/> | |
14770 </section> | |
14771 <section name="itraq4plex"> | |
14772 <param name="channel_114_description" value=""/> | |
14773 <param name="channel_115_description" value=""/> | |
14774 <param name="channel_116_description" value=""/> | |
14775 <param name="channel_117_description" value=""/> | |
14776 <param name="reference_channel" value="114"/> | |
14777 <param name="correction_matrix" value=""0.0/1.0/5.9/0.2" "0.0/2.0/5.6/0.1" "0.0/3.0/4.5/0.1" "0.1/4.0/3.5/0.1""/> | |
14778 </section> | |
14779 <section name="itraq8plex"> | |
14780 <param name="channel_113_description" value=""/> | |
14781 <param name="channel_114_description" value=""/> | |
14782 <param name="channel_115_description" value=""/> | |
14783 <param name="channel_116_description" value=""/> | |
14784 <param name="channel_117_description" value=""/> | |
14785 <param name="channel_118_description" value=""/> | |
14786 <param name="channel_119_description" value=""/> | |
14787 <param name="channel_121_description" value=""/> | |
14788 <param name="reference_channel" value="113"/> | |
14789 <param name="correction_matrix" value=""0.00/0.00/6.89/0.22" "0.00/0.94/5.90/0.16" "0.00/1.88/4.90/0.10" "0.00/2.82/3.90/0.07" "0.06/3.77/2.99/0.00" "0.09/4.71/1.88/0.00" "0.14/5.66/0.87/0.00" "0.27/7.44/0.18/0.00""/> | |
14790 </section> | |
14791 <section name="quantification"> | |
14792 <param name="isotope_correction" value="true"/> | |
14793 <param name="normalization" value="false"/> | |
14794 </section> | |
14795 <section name="tmt10plex"> | |
14796 <param name="channel_126_description" value=""/> | |
14797 <param name="channel_127N_description" value=""/> | |
14798 <param name="channel_127C_description" value=""/> | |
14799 <param name="channel_128N_description" value=""/> | |
14800 <param name="channel_128C_description" value=""/> | |
14801 <param name="channel_129N_description" value=""/> | |
14802 <param name="channel_129C_description" value=""/> | |
14803 <param name="channel_130N_description" value=""/> | |
14804 <param name="channel_130C_description" value=""/> | |
14805 <param name="channel_131_description" value=""/> | |
14806 <param name="reference_channel" value="126"/> | |
14807 <param name="correction_matrix" value=""0.0/0.0/5.0/0.0" "0.0/0.2/4.6/0.0" "0.0/0.2/4.6/0.3" "0.0/0.9/4.7/0.2" "0.0/0.5/3.2/0.0" "0.0/0.7/3.3/0.0" "0.0/1.3/2.5/0.0" "0.0/1.2/2.8/2.7" "0.0/1.5/2.0/0.0" "0.0/1.5/1.9/0.0""/> | |
14808 </section> | |
14809 <section name="tmt11plex"> | |
14810 <param name="channel_126_description" value=""/> | |
14811 <param name="channel_127N_description" value=""/> | |
14812 <param name="channel_127C_description" value=""/> | |
14813 <param name="channel_128N_description" value=""/> | |
14814 <param name="channel_128C_description" value=""/> | |
14815 <param name="channel_129N_description" value=""/> | |
14816 <param name="channel_129C_description" value=""/> | |
14817 <param name="channel_130N_description" value=""/> | |
14818 <param name="channel_130C_description" value=""/> | |
14819 <param name="channel_131N_description" value=""/> | |
14820 <param name="channel_131C_description" value=""/> | |
14821 <param name="reference_channel" value="126"/> | |
14822 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
14823 </section> | |
14824 <section name="tmt16plex"> | |
14825 <param name="channel_126_description" value=""/> | |
14826 <param name="channel_127N_description" value=""/> | |
14827 <param name="channel_127C_description" value=""/> | |
14828 <param name="channel_128N_description" value=""/> | |
14829 <param name="channel_128C_description" value=""/> | |
14830 <param name="channel_129N_description" value=""/> | |
14831 <param name="channel_129C_description" value=""/> | |
14832 <param name="channel_130N_description" value=""/> | |
14833 <param name="channel_130C_description" value=""/> | |
14834 <param name="channel_131N_description" value=""/> | |
14835 <param name="channel_131C_description" value=""/> | |
14836 <param name="channel_132N_description" value=""/> | |
14837 <param name="channel_132C_description" value=""/> | |
14838 <param name="channel_133N_description" value=""/> | |
14839 <param name="channel_133C_description" value=""/> | |
14840 <param name="channel_134N_description" value=""/> | |
14841 <param name="reference_channel" value="126"/> | |
14842 <param name="correction_matrix" value=""0.0/0.0/8.02/0.0" "0.0/0.68/7.46/0.0" "0.0/0.71/6.94/0.0" "0.0/1.88/6.67/0.0" "0.0/1.34/5.59/0.0" "0.0/2.41/5.48/0.0" "0.0/2.34/5.19/0.0" "0.0/3.53/4.57/0.0" "0.0/2.67/4.16/0.0" "0.0/3.92/3.73/0.0" "0.0/3.69/3.14/0.0" "0.0/3.22/2.76/0.0" "0.0/4.11/2.0/0.0" "0.0/3.85/1.58/0.0" "0.0/4.63/1.18/0.0" "0.0/5.22/0.86/0.0""/> | |
14843 </section> | |
14844 <section name="tmt6plex"> | |
14845 <param name="channel_126_description" value=""/> | |
14846 <param name="channel_127_description" value=""/> | |
14847 <param name="channel_128_description" value=""/> | |
14848 <param name="channel_129_description" value=""/> | |
14849 <param name="channel_130_description" value=""/> | |
14850 <param name="channel_131_description" value=""/> | |
14851 <param name="reference_channel" value="126"/> | |
14852 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
14853 </section> | |
14854 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14855 <output name="ctd_out" ftype="xml"> | |
14856 <assert_contents> | |
14857 <is_valid_xml/> | |
14858 </assert_contents> | |
14859 </output> | |
14860 </test> | |
14861 <test expect_num_outputs="2"> | |
14862 <conditional name="adv_opts_cond"> | |
14863 <param name="adv_opts_selector" value="advanced"/> | |
14864 <param name="force" value="false"/> | |
14865 <param name="test" value="true"/> | |
14866 </conditional> | |
14867 <param name="type" value="itraq4plex"/> | |
14868 <param name="in" value="TMTTenPlexMethod_test.mzML"/> | |
14869 <output name="out" file="TMTElevenPlexMethod_test.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
14870 <section name="extraction"> | |
14871 <param name="select_activation" value="High-energy collision-induced dissociation"/> | |
14872 <param name="reporter_mass_shift" value="0.002"/> | |
14873 <param name="min_precursor_intensity" value="1.0"/> | |
14874 <param name="keep_unannotated_precursor" value="true"/> | |
14875 <param name="min_reporter_intensity" value="0.0"/> | |
14876 <param name="discard_low_intensity_quantifications" value="false"/> | |
14877 <param name="min_precursor_purity" value="0.0"/> | |
14878 <param name="precursor_isotope_deviation" value="10.0"/> | |
14879 <param name="purity_interpolation" value="true"/> | |
14880 </section> | |
14881 <section name="itraq4plex"> | |
14882 <param name="channel_114_description" value=""/> | |
14883 <param name="channel_115_description" value=""/> | |
14884 <param name="channel_116_description" value=""/> | |
14885 <param name="channel_117_description" value=""/> | |
14886 <param name="reference_channel" value="114"/> | |
14887 <param name="correction_matrix" value=""0.0/1.0/5.9/0.2" "0.0/2.0/5.6/0.1" "0.0/3.0/4.5/0.1" "0.1/4.0/3.5/0.1""/> | |
14888 </section> | |
14889 <section name="itraq8plex"> | |
14890 <param name="channel_113_description" value=""/> | |
14891 <param name="channel_114_description" value=""/> | |
14892 <param name="channel_115_description" value=""/> | |
14893 <param name="channel_116_description" value=""/> | |
14894 <param name="channel_117_description" value=""/> | |
14895 <param name="channel_118_description" value=""/> | |
14896 <param name="channel_119_description" value=""/> | |
14897 <param name="channel_121_description" value=""/> | |
14898 <param name="reference_channel" value="113"/> | |
14899 <param name="correction_matrix" value=""0.00/0.00/6.89/0.22" "0.00/0.94/5.90/0.16" "0.00/1.88/4.90/0.10" "0.00/2.82/3.90/0.07" "0.06/3.77/2.99/0.00" "0.09/4.71/1.88/0.00" "0.14/5.66/0.87/0.00" "0.27/7.44/0.18/0.00""/> | |
14900 </section> | |
14901 <section name="quantification"> | |
14902 <param name="isotope_correction" value="true"/> | |
14903 <param name="normalization" value="false"/> | |
14904 </section> | |
14905 <section name="tmt10plex"> | |
14906 <param name="channel_126_description" value=""/> | |
14907 <param name="channel_127N_description" value=""/> | |
14908 <param name="channel_127C_description" value=""/> | |
14909 <param name="channel_128N_description" value=""/> | |
14910 <param name="channel_128C_description" value=""/> | |
14911 <param name="channel_129N_description" value=""/> | |
14912 <param name="channel_129C_description" value=""/> | |
14913 <param name="channel_130N_description" value=""/> | |
14914 <param name="channel_130C_description" value=""/> | |
14915 <param name="channel_131_description" value=""/> | |
14916 <param name="reference_channel" value="126"/> | |
14917 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
14918 </section> | |
14919 <section name="tmt11plex"> | |
14920 <param name="channel_126_description" value=""/> | |
14921 <param name="channel_127N_description" value=""/> | |
14922 <param name="channel_127C_description" value=""/> | |
14923 <param name="channel_128N_description" value=""/> | |
14924 <param name="channel_128C_description" value=""/> | |
14925 <param name="channel_129N_description" value=""/> | |
14926 <param name="channel_129C_description" value=""/> | |
14927 <param name="channel_130N_description" value=""/> | |
14928 <param name="channel_130C_description" value=""/> | |
14929 <param name="channel_131N_description" value=""/> | |
14930 <param name="channel_131C_description" value=""/> | |
14931 <param name="reference_channel" value="126"/> | |
14932 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
14933 </section> | |
14934 <section name="tmt16plex"> | |
14935 <param name="channel_126_description" value=""/> | |
14936 <param name="channel_127N_description" value=""/> | |
14937 <param name="channel_127C_description" value=""/> | |
14938 <param name="channel_128N_description" value=""/> | |
14939 <param name="channel_128C_description" value=""/> | |
14940 <param name="channel_129N_description" value=""/> | |
14941 <param name="channel_129C_description" value=""/> | |
14942 <param name="channel_130N_description" value=""/> | |
14943 <param name="channel_130C_description" value=""/> | |
14944 <param name="channel_131N_description" value=""/> | |
14945 <param name="channel_131C_description" value=""/> | |
14946 <param name="channel_132N_description" value=""/> | |
14947 <param name="channel_132C_description" value=""/> | |
14948 <param name="channel_133N_description" value=""/> | |
14949 <param name="channel_133C_description" value=""/> | |
14950 <param name="channel_134N_description" value=""/> | |
14951 <param name="reference_channel" value="126"/> | |
14952 <param name="correction_matrix" value=""0.0/0.0/8.02/0.0" "0.0/0.68/7.46/0.0" "0.0/0.71/6.94/0.0" "0.0/1.88/6.67/0.0" "0.0/1.34/5.59/0.0" "0.0/2.41/5.48/0.0" "0.0/2.34/5.19/0.0" "0.0/3.53/4.57/0.0" "0.0/2.67/4.16/0.0" "0.0/3.92/3.73/0.0" "0.0/3.69/3.14/0.0" "0.0/3.22/2.76/0.0" "0.0/4.11/2.0/0.0" "0.0/3.85/1.58/0.0" "0.0/4.63/1.18/0.0" "0.0/5.22/0.86/0.0""/> | |
14953 </section> | |
14954 <section name="tmt6plex"> | |
14955 <param name="channel_126_description" value=""/> | |
14956 <param name="channel_127_description" value=""/> | |
14957 <param name="channel_128_description" value=""/> | |
14958 <param name="channel_129_description" value=""/> | |
14959 <param name="channel_130_description" value=""/> | |
14960 <param name="channel_131_description" value=""/> | |
14961 <param name="reference_channel" value="126"/> | |
14962 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
14963 </section> | |
14964 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14965 <output name="ctd_out" ftype="xml"> | |
14966 <assert_contents> | |
14967 <is_valid_xml/> | |
14968 </assert_contents> | |
14969 </output> | |
14970 </test> | |
14971 <test expect_num_outputs="2"> | |
14972 <conditional name="adv_opts_cond"> | |
14973 <param name="adv_opts_selector" value="advanced"/> | |
14974 <param name="force" value="false"/> | |
14975 <param name="test" value="true"/> | |
14976 </conditional> | |
14977 <param name="type" value="tmt10plex"/> | |
14978 <param name="in" value="MS3_nonHierarchical.mzML"/> | |
14979 <output name="out" file="MS3TMT10Plex_test.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
14980 <section name="extraction"> | |
14981 <param name="select_activation" value="Collision-induced dissociation"/> | |
14982 <param name="reporter_mass_shift" value="0.002"/> | |
14983 <param name="min_precursor_intensity" value="1.0"/> | |
14984 <param name="keep_unannotated_precursor" value="true"/> | |
14985 <param name="min_reporter_intensity" value="0.0"/> | |
14986 <param name="discard_low_intensity_quantifications" value="false"/> | |
14987 <param name="min_precursor_purity" value="0.0"/> | |
14988 <param name="precursor_isotope_deviation" value="10.0"/> | |
14989 <param name="purity_interpolation" value="true"/> | |
14990 </section> | |
14991 <section name="itraq4plex"> | |
14992 <param name="channel_114_description" value=""/> | |
14993 <param name="channel_115_description" value=""/> | |
14994 <param name="channel_116_description" value=""/> | |
14995 <param name="channel_117_description" value=""/> | |
14996 <param name="reference_channel" value="114"/> | |
14997 <param name="correction_matrix" value=""0.0/1.0/5.9/0.2" "0.0/2.0/5.6/0.1" "0.0/3.0/4.5/0.1" "0.1/4.0/3.5/0.1""/> | |
14998 </section> | |
14999 <section name="itraq8plex"> | |
15000 <param name="channel_113_description" value=""/> | |
15001 <param name="channel_114_description" value=""/> | |
15002 <param name="channel_115_description" value=""/> | |
15003 <param name="channel_116_description" value=""/> | |
15004 <param name="channel_117_description" value=""/> | |
15005 <param name="channel_118_description" value=""/> | |
15006 <param name="channel_119_description" value=""/> | |
15007 <param name="channel_121_description" value=""/> | |
15008 <param name="reference_channel" value="113"/> | |
15009 <param name="correction_matrix" value=""0.00/0.00/6.89/0.22" "0.00/0.94/5.90/0.16" "0.00/1.88/4.90/0.10" "0.00/2.82/3.90/0.07" "0.06/3.77/2.99/0.00" "0.09/4.71/1.88/0.00" "0.14/5.66/0.87/0.00" "0.27/7.44/0.18/0.00""/> | |
15010 </section> | |
15011 <section name="quantification"> | |
15012 <param name="isotope_correction" value="true"/> | |
15013 <param name="normalization" value="false"/> | |
15014 </section> | |
15015 <section name="tmt10plex"> | |
15016 <param name="channel_126_description" value=""/> | |
15017 <param name="channel_127N_description" value=""/> | |
15018 <param name="channel_127C_description" value=""/> | |
15019 <param name="channel_128N_description" value=""/> | |
15020 <param name="channel_128C_description" value=""/> | |
15021 <param name="channel_129N_description" value=""/> | |
15022 <param name="channel_129C_description" value=""/> | |
15023 <param name="channel_130N_description" value=""/> | |
15024 <param name="channel_130C_description" value=""/> | |
15025 <param name="channel_131_description" value=""/> | |
15026 <param name="reference_channel" value="126"/> | |
15027 <param name="correction_matrix" value=""0.0/0.0/5.09/0.0" "0.0/0.25/5.27/0.0" "0.0/0.37/5.36/0.15" "0.0/0.65/4.17/0.1" "0.08/0.49/3.06/0.0" "0.01/0.71/3.07/0.0" "0.0/1.32/2.62/0.0" "0.02/1.28/2.75/2.53" "0.03/2.08/2.23/0.0" "0.08/1.99/1.65/0.0""/> | |
15028 </section> | |
15029 <section name="tmt11plex"> | |
15030 <param name="channel_126_description" value=""/> | |
15031 <param name="channel_127N_description" value=""/> | |
15032 <param name="channel_127C_description" value=""/> | |
15033 <param name="channel_128N_description" value=""/> | |
15034 <param name="channel_128C_description" value=""/> | |
15035 <param name="channel_129N_description" value=""/> | |
15036 <param name="channel_129C_description" value=""/> | |
15037 <param name="channel_130N_description" value=""/> | |
15038 <param name="channel_130C_description" value=""/> | |
15039 <param name="channel_131N_description" value=""/> | |
15040 <param name="channel_131C_description" value=""/> | |
15041 <param name="reference_channel" value="126"/> | |
15042 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
15043 </section> | |
15044 <section name="tmt16plex"> | |
15045 <param name="channel_126_description" value=""/> | |
15046 <param name="channel_127N_description" value=""/> | |
15047 <param name="channel_127C_description" value=""/> | |
15048 <param name="channel_128N_description" value=""/> | |
15049 <param name="channel_128C_description" value=""/> | |
15050 <param name="channel_129N_description" value=""/> | |
15051 <param name="channel_129C_description" value=""/> | |
15052 <param name="channel_130N_description" value=""/> | |
15053 <param name="channel_130C_description" value=""/> | |
15054 <param name="channel_131N_description" value=""/> | |
15055 <param name="channel_131C_description" value=""/> | |
15056 <param name="channel_132N_description" value=""/> | |
15057 <param name="channel_132C_description" value=""/> | |
15058 <param name="channel_133N_description" value=""/> | |
15059 <param name="channel_133C_description" value=""/> | |
15060 <param name="channel_134N_description" value=""/> | |
15061 <param name="reference_channel" value="126"/> | |
15062 <param name="correction_matrix" value=""0.0/0.0/8.02/0.0" "0.0/0.68/7.46/0.0" "0.0/0.71/6.94/0.0" "0.0/1.88/6.67/0.0" "0.0/1.34/5.59/0.0" "0.0/2.41/5.48/0.0" "0.0/2.34/5.19/0.0" "0.0/3.53/4.57/0.0" "0.0/2.67/4.16/0.0" "0.0/3.92/3.73/0.0" "0.0/3.69/3.14/0.0" "0.0/3.22/2.76/0.0" "0.0/4.11/2.0/0.0" "0.0/3.85/1.58/0.0" "0.0/4.63/1.18/0.0" "0.0/5.22/0.86/0.0""/> | |
15063 </section> | |
15064 <section name="tmt6plex"> | |
15065 <param name="channel_126_description" value=""/> | |
15066 <param name="channel_127_description" value=""/> | |
15067 <param name="channel_128_description" value=""/> | |
15068 <param name="channel_129_description" value=""/> | |
15069 <param name="channel_130_description" value=""/> | |
15070 <param name="channel_131_description" value=""/> | |
15071 <param name="reference_channel" value="126"/> | |
15072 <param name="correction_matrix" value=""0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0" "0.0/0.0/0.0/0.0""/> | |
15073 </section> | |
15074 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15075 <output name="ctd_out" ftype="xml"> | |
15076 <assert_contents> | |
15077 <is_valid_xml/> | |
15078 </assert_contents> | |
15079 </output> | |
15080 </test> | |
15081 </xml> | |
15082 <xml name="autotest_LabeledEval"> | |
15083 </xml> | |
15084 <xml name="autotest_LuciphorAdapter"> | |
15085 <test expect_num_outputs="2"> | |
15086 <conditional name="adv_opts_cond"> | |
15087 <param name="adv_opts_selector" value="advanced"/> | |
15088 <param name="force" value="false"/> | |
15089 <param name="test" value="true"/> | |
15090 </conditional> | |
15091 <param name="in" value="LuciphorAdapter_1_input.mzML"/> | |
15092 <param name="id" value="LuciphorAdapter_1_input.idXML"/> | |
15093 <output name="out" file="LuciphorAdapter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
15094 <param name="fragment_method" value="CID"/> | |
15095 <param name="fragment_mass_tolerance" value="0.5"/> | |
15096 <param name="fragment_error_units" value="Da"/> | |
15097 <param name="min_mz" value="150.0"/> | |
15098 <param name="target_modifications" value="Phospho (S),Phospho (T),Phospho (Y)"/> | |
15099 <param name="neutral_losses" value=""sty -H3PO4 -97.97690""/> | |
15100 <param name="decoy_mass" value="79.966331"/> | |
15101 <param name="decoy_neutral_losses" value=""X -H3PO4 -97.97690""/> | |
15102 <param name="max_charge_state" value="5"/> | |
15103 <param name="max_peptide_length" value="40"/> | |
15104 <param name="max_num_perm" value="16384"/> | |
15105 <param name="modeling_score_threshold" value="0.95"/> | |
15106 <param name="scoring_threshold" value="0.0"/> | |
15107 <param name="min_num_psms_model" value="1"/> | |
15108 <param name="run_mode" value="0"/> | |
15109 <param name="rt_tolerance" value="0.01"/> | |
15110 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15111 <output name="ctd_out" ftype="xml"> | |
15112 <assert_contents> | |
15113 <is_valid_xml/> | |
15114 </assert_contents> | |
15115 </output> | |
15116 </test> | |
15117 </xml> | |
15118 <xml name="autotest_MapAlignerIdentification"> | |
15119 <test expect_num_outputs="2"> | |
15120 <conditional name="adv_opts_cond"> | |
15121 <param name="adv_opts_selector" value="advanced"/> | |
15122 <param name="force" value="false"/> | |
15123 <param name="test" value="true"/> | |
15124 </conditional> | |
15125 <param name="in" value="MapAlignerIdentification_1_input1.featureXML,MapAlignerIdentification_1_input2.featureXML"/> | |
15126 <output_collection name="out" count="2"/> | |
15127 <section name="reference"> | |
15128 <param name="index" value="0"/> | |
15129 </section> | |
15130 <section name="algorithm"> | |
15131 <param name="score_cutoff" value="false"/> | |
15132 <param name="min_score" value="0.05"/> | |
15133 <param name="min_run_occur" value="2"/> | |
15134 <param name="max_rt_shift" value="0.0"/> | |
15135 <param name="use_unassigned_peptides" value="true"/> | |
15136 <param name="use_feature_rt" value="false"/> | |
15137 </section> | |
15138 <section name="model"> | |
15139 <param name="type" value="b_spline"/> | |
15140 <section name="linear"> | |
15141 <param name="symmetric_regression" value="false"/> | |
15142 <param name="x_weight" value=""/> | |
15143 <param name="y_weight" value=""/> | |
15144 <param name="x_datum_min" value="1e-15"/> | |
15145 <param name="x_datum_max" value="1000000000000000.0"/> | |
15146 <param name="y_datum_min" value="1e-15"/> | |
15147 <param name="y_datum_max" value="1000000000000000.0"/> | |
15148 </section> | |
15149 <section name="b_spline"> | |
15150 <param name="wavelength" value="0.0"/> | |
15151 <param name="num_nodes" value="5"/> | |
15152 <param name="extrapolate" value="linear"/> | |
15153 <param name="boundary_condition" value="2"/> | |
15154 </section> | |
15155 <section name="lowess"> | |
15156 <param name="span" value="0.666666666666667"/> | |
15157 <param name="num_iterations" value="3"/> | |
15158 <param name="delta" value="-1.0"/> | |
15159 <param name="interpolation_type" value="cspline"/> | |
15160 <param name="extrapolation_type" value="four-point-linear"/> | |
15161 </section> | |
15162 <section name="interpolated"> | |
15163 <param name="interpolation_type" value="cspline"/> | |
15164 <param name="extrapolation_type" value="two-point-linear"/> | |
15165 </section> | |
15166 </section> | |
15167 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15168 <output name="ctd_out" ftype="xml"> | |
15169 <assert_contents> | |
15170 <is_valid_xml/> | |
15171 </assert_contents> | |
15172 </output> | |
15173 </test> | |
15174 <test expect_num_outputs="2"> | |
15175 <conditional name="adv_opts_cond"> | |
15176 <param name="adv_opts_selector" value="advanced"/> | |
15177 <param name="force" value="false"/> | |
15178 <param name="test" value="true"/> | |
15179 </conditional> | |
15180 <param name="in" value="MapAlignerIdentification_1_input1.featureXML"/> | |
15181 <output_collection name="out" count="1"/> | |
15182 <section name="reference"> | |
15183 <param name="file" value="MapAlignerIdentification_1_input2.featureXML"/> | |
15184 <param name="index" value="0"/> | |
15185 </section> | |
15186 <section name="algorithm"> | |
15187 <param name="score_cutoff" value="false"/> | |
15188 <param name="min_score" value="0.05"/> | |
15189 <param name="min_run_occur" value="2"/> | |
15190 <param name="max_rt_shift" value="0.0"/> | |
15191 <param name="use_unassigned_peptides" value="true"/> | |
15192 <param name="use_feature_rt" value="false"/> | |
15193 </section> | |
15194 <section name="model"> | |
15195 <param name="type" value="b_spline"/> | |
15196 <section name="linear"> | |
15197 <param name="symmetric_regression" value="false"/> | |
15198 <param name="x_weight" value=""/> | |
15199 <param name="y_weight" value=""/> | |
15200 <param name="x_datum_min" value="1e-15"/> | |
15201 <param name="x_datum_max" value="1000000000000000.0"/> | |
15202 <param name="y_datum_min" value="1e-15"/> | |
15203 <param name="y_datum_max" value="1000000000000000.0"/> | |
15204 </section> | |
15205 <section name="b_spline"> | |
15206 <param name="wavelength" value="0.0"/> | |
15207 <param name="num_nodes" value="5"/> | |
15208 <param name="extrapolate" value="linear"/> | |
15209 <param name="boundary_condition" value="2"/> | |
15210 </section> | |
15211 <section name="lowess"> | |
15212 <param name="span" value="0.666666666666667"/> | |
15213 <param name="num_iterations" value="3"/> | |
15214 <param name="delta" value="-1.0"/> | |
15215 <param name="interpolation_type" value="cspline"/> | |
15216 <param name="extrapolation_type" value="four-point-linear"/> | |
15217 </section> | |
15218 <section name="interpolated"> | |
15219 <param name="interpolation_type" value="cspline"/> | |
15220 <param name="extrapolation_type" value="two-point-linear"/> | |
15221 </section> | |
15222 </section> | |
15223 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15224 <output name="ctd_out" ftype="xml"> | |
15225 <assert_contents> | |
15226 <is_valid_xml/> | |
15227 </assert_contents> | |
15228 </output> | |
15229 </test> | |
15230 <test expect_num_outputs="2"> | |
15231 <conditional name="adv_opts_cond"> | |
15232 <param name="adv_opts_selector" value="advanced"/> | |
15233 <param name="force" value="false"/> | |
15234 <param name="test" value="true"/> | |
15235 </conditional> | |
15236 <param name="in" value="MapAlignerIdentification_1_input2.featureXML,MapAlignerIdentification_1_input1.featureXML"/> | |
15237 <output_collection name="out" count="2"/> | |
15238 <section name="reference"> | |
15239 <param name="index" value="1"/> | |
15240 </section> | |
15241 <section name="algorithm"> | |
15242 <param name="score_cutoff" value="false"/> | |
15243 <param name="min_score" value="0.05"/> | |
15244 <param name="min_run_occur" value="2"/> | |
15245 <param name="max_rt_shift" value="0.0"/> | |
15246 <param name="use_unassigned_peptides" value="true"/> | |
15247 <param name="use_feature_rt" value="false"/> | |
15248 </section> | |
15249 <section name="model"> | |
15250 <param name="type" value="b_spline"/> | |
15251 <section name="linear"> | |
15252 <param name="symmetric_regression" value="false"/> | |
15253 <param name="x_weight" value=""/> | |
15254 <param name="y_weight" value=""/> | |
15255 <param name="x_datum_min" value="1e-15"/> | |
15256 <param name="x_datum_max" value="1000000000000000.0"/> | |
15257 <param name="y_datum_min" value="1e-15"/> | |
15258 <param name="y_datum_max" value="1000000000000000.0"/> | |
15259 </section> | |
15260 <section name="b_spline"> | |
15261 <param name="wavelength" value="0.0"/> | |
15262 <param name="num_nodes" value="5"/> | |
15263 <param name="extrapolate" value="linear"/> | |
15264 <param name="boundary_condition" value="2"/> | |
15265 </section> | |
15266 <section name="lowess"> | |
15267 <param name="span" value="0.666666666666667"/> | |
15268 <param name="num_iterations" value="3"/> | |
15269 <param name="delta" value="-1.0"/> | |
15270 <param name="interpolation_type" value="cspline"/> | |
15271 <param name="extrapolation_type" value="four-point-linear"/> | |
15272 </section> | |
15273 <section name="interpolated"> | |
15274 <param name="interpolation_type" value="cspline"/> | |
15275 <param name="extrapolation_type" value="two-point-linear"/> | |
15276 </section> | |
15277 </section> | |
15278 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15279 <output name="ctd_out" ftype="xml"> | |
15280 <assert_contents> | |
15281 <is_valid_xml/> | |
15282 </assert_contents> | |
15283 </output> | |
15284 </test> | |
15285 <test expect_num_outputs="2"> | |
15286 <conditional name="adv_opts_cond"> | |
15287 <param name="adv_opts_selector" value="advanced"/> | |
15288 <param name="force" value="false"/> | |
15289 <param name="test" value="true"/> | |
15290 </conditional> | |
15291 <param name="in" value="MapAlignerIdentification_1_input1.featureXML,MapAlignerIdentification_1_input2.featureXML"/> | |
15292 <output_collection name="out" count="2"/> | |
15293 <section name="reference"> | |
15294 <param name="index" value="2"/> | |
15295 </section> | |
15296 <section name="algorithm"> | |
15297 <param name="score_cutoff" value="false"/> | |
15298 <param name="min_score" value="0.05"/> | |
15299 <param name="min_run_occur" value="2"/> | |
15300 <param name="max_rt_shift" value="0.0"/> | |
15301 <param name="use_unassigned_peptides" value="true"/> | |
15302 <param name="use_feature_rt" value="false"/> | |
15303 </section> | |
15304 <section name="model"> | |
15305 <param name="type" value="b_spline"/> | |
15306 <section name="linear"> | |
15307 <param name="symmetric_regression" value="false"/> | |
15308 <param name="x_weight" value=""/> | |
15309 <param name="y_weight" value=""/> | |
15310 <param name="x_datum_min" value="1e-15"/> | |
15311 <param name="x_datum_max" value="1000000000000000.0"/> | |
15312 <param name="y_datum_min" value="1e-15"/> | |
15313 <param name="y_datum_max" value="1000000000000000.0"/> | |
15314 </section> | |
15315 <section name="b_spline"> | |
15316 <param name="wavelength" value="0.0"/> | |
15317 <param name="num_nodes" value="5"/> | |
15318 <param name="extrapolate" value="linear"/> | |
15319 <param name="boundary_condition" value="2"/> | |
15320 </section> | |
15321 <section name="lowess"> | |
15322 <param name="span" value="0.666666666666667"/> | |
15323 <param name="num_iterations" value="3"/> | |
15324 <param name="delta" value="-1.0"/> | |
15325 <param name="interpolation_type" value="cspline"/> | |
15326 <param name="extrapolation_type" value="four-point-linear"/> | |
15327 </section> | |
15328 <section name="interpolated"> | |
15329 <param name="interpolation_type" value="cspline"/> | |
15330 <param name="extrapolation_type" value="two-point-linear"/> | |
15331 </section> | |
15332 </section> | |
15333 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15334 <output name="ctd_out" ftype="xml"> | |
15335 <assert_contents> | |
15336 <is_valid_xml/> | |
15337 </assert_contents> | |
15338 </output> | |
15339 </test> | |
15340 <test expect_num_outputs="2"> | |
15341 <conditional name="adv_opts_cond"> | |
15342 <param name="adv_opts_selector" value="advanced"/> | |
15343 <param name="force" value="false"/> | |
15344 <param name="test" value="true"/> | |
15345 </conditional> | |
15346 <param name="in" value="MapAlignerIdentification_5_input1.consensusXML,MapAlignerIdentification_5_input2.consensusXML"/> | |
15347 <output_collection name="out" count="2"/> | |
15348 <section name="reference"> | |
15349 <param name="index" value="0"/> | |
15350 </section> | |
15351 <section name="algorithm"> | |
15352 <param name="score_cutoff" value="false"/> | |
15353 <param name="min_score" value="0.05"/> | |
15354 <param name="min_run_occur" value="2"/> | |
15355 <param name="max_rt_shift" value="0.0"/> | |
15356 <param name="use_unassigned_peptides" value="true"/> | |
15357 <param name="use_feature_rt" value="false"/> | |
15358 </section> | |
15359 <section name="model"> | |
15360 <param name="type" value="b_spline"/> | |
15361 <section name="linear"> | |
15362 <param name="symmetric_regression" value="false"/> | |
15363 <param name="x_weight" value=""/> | |
15364 <param name="y_weight" value=""/> | |
15365 <param name="x_datum_min" value="1e-15"/> | |
15366 <param name="x_datum_max" value="1000000000000000.0"/> | |
15367 <param name="y_datum_min" value="1e-15"/> | |
15368 <param name="y_datum_max" value="1000000000000000.0"/> | |
15369 </section> | |
15370 <section name="b_spline"> | |
15371 <param name="wavelength" value="0.0"/> | |
15372 <param name="num_nodes" value="5"/> | |
15373 <param name="extrapolate" value="linear"/> | |
15374 <param name="boundary_condition" value="2"/> | |
15375 </section> | |
15376 <section name="lowess"> | |
15377 <param name="span" value="0.666666666666667"/> | |
15378 <param name="num_iterations" value="3"/> | |
15379 <param name="delta" value="-1.0"/> | |
15380 <param name="interpolation_type" value="cspline"/> | |
15381 <param name="extrapolation_type" value="four-point-linear"/> | |
15382 </section> | |
15383 <section name="interpolated"> | |
15384 <param name="interpolation_type" value="cspline"/> | |
15385 <param name="extrapolation_type" value="two-point-linear"/> | |
15386 </section> | |
15387 </section> | |
15388 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15389 <output name="ctd_out" ftype="xml"> | |
15390 <assert_contents> | |
15391 <is_valid_xml/> | |
15392 </assert_contents> | |
15393 </output> | |
15394 </test> | |
15395 <test expect_num_outputs="2"> | |
15396 <conditional name="adv_opts_cond"> | |
15397 <param name="adv_opts_selector" value="advanced"/> | |
15398 <param name="force" value="false"/> | |
15399 <param name="test" value="true"/> | |
15400 </conditional> | |
15401 <param name="in" value="MapAlignerIdentification_1_input1.featureXML"/> | |
15402 <output_collection name="trafo_out" count="1"/> | |
15403 <section name="reference"> | |
15404 <param name="file" value="MapAlignerIdentification_1_input2.featureXML"/> | |
15405 <param name="index" value="0"/> | |
15406 </section> | |
15407 <section name="algorithm"> | |
15408 <param name="score_cutoff" value="false"/> | |
15409 <param name="min_score" value="0.05"/> | |
15410 <param name="min_run_occur" value="2"/> | |
15411 <param name="max_rt_shift" value="0.0"/> | |
15412 <param name="use_unassigned_peptides" value="true"/> | |
15413 <param name="use_feature_rt" value="false"/> | |
15414 </section> | |
15415 <section name="model"> | |
15416 <param name="type" value="b_spline"/> | |
15417 <section name="linear"> | |
15418 <param name="symmetric_regression" value="false"/> | |
15419 <param name="x_weight" value=""/> | |
15420 <param name="y_weight" value=""/> | |
15421 <param name="x_datum_min" value="1e-15"/> | |
15422 <param name="x_datum_max" value="1000000000000000.0"/> | |
15423 <param name="y_datum_min" value="1e-15"/> | |
15424 <param name="y_datum_max" value="1000000000000000.0"/> | |
15425 </section> | |
15426 <section name="b_spline"> | |
15427 <param name="wavelength" value="0.0"/> | |
15428 <param name="num_nodes" value="5"/> | |
15429 <param name="extrapolate" value="linear"/> | |
15430 <param name="boundary_condition" value="2"/> | |
15431 </section> | |
15432 <section name="lowess"> | |
15433 <param name="span" value="0.666666666666667"/> | |
15434 <param name="num_iterations" value="3"/> | |
15435 <param name="delta" value="-1.0"/> | |
15436 <param name="interpolation_type" value="cspline"/> | |
15437 <param name="extrapolation_type" value="four-point-linear"/> | |
15438 </section> | |
15439 <section name="interpolated"> | |
15440 <param name="interpolation_type" value="cspline"/> | |
15441 <param name="extrapolation_type" value="two-point-linear"/> | |
15442 </section> | |
15443 </section> | |
15444 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
15445 <output name="ctd_out" ftype="xml"> | |
15446 <assert_contents> | |
15447 <is_valid_xml/> | |
15448 </assert_contents> | |
15449 </output> | |
15450 </test> | |
15451 <test expect_num_outputs="3"> | |
15452 <conditional name="adv_opts_cond"> | |
15453 <param name="adv_opts_selector" value="advanced"/> | |
15454 <param name="force" value="true"/> | |
15455 <param name="test" value="true"/> | |
15456 </conditional> | |
15457 <param name="in" value="MapAlignerIdentification_7_input1.idXML"/> | |
15458 <output_collection name="out" count="1"/> | |
15459 <output_collection name="trafo_out" count="1"/> | |
15460 <section name="reference"> | |
15461 <param name="file" value="MapAlignerIdentification_7_input2.idXML"/> | |
15462 <param name="index" value="0"/> | |
15463 </section> | |
15464 <section name="algorithm"> | |
15465 <param name="score_cutoff" value="false"/> | |
15466 <param name="min_score" value="0.05"/> | |
15467 <param name="min_run_occur" value="2"/> | |
15468 <param name="max_rt_shift" value="0.5"/> | |
15469 <param name="use_unassigned_peptides" value="true"/> | |
15470 <param name="use_feature_rt" value="false"/> | |
15471 </section> | |
15472 <section name="model"> | |
15473 <param name="type" value="b_spline"/> | |
15474 <section name="linear"> | |
15475 <param name="symmetric_regression" value="false"/> | |
15476 <param name="x_weight" value=""/> | |
15477 <param name="y_weight" value=""/> | |
15478 <param name="x_datum_min" value="1e-15"/> | |
15479 <param name="x_datum_max" value="1000000000000000.0"/> | |
15480 <param name="y_datum_min" value="1e-15"/> | |
15481 <param name="y_datum_max" value="1000000000000000.0"/> | |
15482 </section> | |
15483 <section name="b_spline"> | |
15484 <param name="wavelength" value="0.0"/> | |
15485 <param name="num_nodes" value="5"/> | |
15486 <param name="extrapolate" value="linear"/> | |
15487 <param name="boundary_condition" value="2"/> | |
15488 </section> | |
15489 <section name="lowess"> | |
15490 <param name="span" value="0.666666666666667"/> | |
15491 <param name="num_iterations" value="3"/> | |
15492 <param name="delta" value="-1.0"/> | |
15493 <param name="interpolation_type" value="cspline"/> | |
15494 <param name="extrapolation_type" value="four-point-linear"/> | |
15495 </section> | |
15496 <section name="interpolated"> | |
15497 <param name="interpolation_type" value="cspline"/> | |
15498 <param name="extrapolation_type" value="two-point-linear"/> | |
15499 </section> | |
15500 </section> | |
15501 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,trafo_out_FLAG"/> | |
15502 <output name="ctd_out" ftype="xml"> | |
15503 <assert_contents> | |
15504 <is_valid_xml/> | |
15505 </assert_contents> | |
15506 </output> | |
15507 </test> | |
15508 </xml> | |
15509 <xml name="autotest_MapAlignerPoseClustering"> | |
15510 <test expect_num_outputs="3"> | |
15511 <conditional name="adv_opts_cond"> | |
15512 <param name="adv_opts_selector" value="advanced"/> | |
15513 <param name="force" value="false"/> | |
15514 <param name="test" value="true"/> | |
15515 </conditional> | |
15516 <param name="in" value="MapAlignerPoseClustering_1_input1.featureXML,MapAlignerPoseClustering_1_input2.featureXML,MapAlignerPoseClustering_1_input3.featureXML"/> | |
15517 <output_collection name="out" count="3"/> | |
15518 <output_collection name="trafo_out" count="3"/> | |
15519 <section name="reference"> | |
15520 <param name="index" value="0"/> | |
15521 </section> | |
15522 <section name="algorithm"> | |
15523 <param name="max_num_peaks_considered" value="400"/> | |
15524 <section name="superimposer"> | |
15525 <param name="mz_pair_max_distance" value="0.5"/> | |
15526 <param name="rt_pair_distance_fraction" value="0.1"/> | |
15527 <param name="num_used_points" value="2000"/> | |
15528 <param name="scaling_bucket_size" value="0.005"/> | |
15529 <param name="shift_bucket_size" value="3.0"/> | |
15530 <param name="max_shift" value="1000.0"/> | |
15531 <param name="max_scaling" value="2.0"/> | |
15532 <param name="dump_buckets" value=""/> | |
15533 <param name="dump_pairs" value=""/> | |
15534 </section> | |
15535 <section name="pairfinder"> | |
15536 <param name="second_nearest_gap" value="2.0"/> | |
15537 <param name="use_identifications" value="false"/> | |
15538 <param name="ignore_charge" value="true"/> | |
15539 <param name="ignore_adduct" value="true"/> | |
15540 <section name="distance_RT"> | |
15541 <param name="max_difference" value="30.0"/> | |
15542 <param name="exponent" value="1.0"/> | |
15543 <param name="weight" value="1.0"/> | |
15544 </section> | |
15545 <section name="distance_MZ"> | |
15546 <param name="max_difference" value="0.3"/> | |
15547 <param name="unit" value="Da"/> | |
15548 <param name="exponent" value="2.0"/> | |
15549 <param name="weight" value="1.0"/> | |
15550 </section> | |
15551 <section name="distance_intensity"> | |
15552 <param name="exponent" value="1.0"/> | |
15553 <param name="weight" value="0.0"/> | |
15554 <param name="log_transform" value="disabled"/> | |
15555 </section> | |
15556 </section> | |
15557 </section> | |
15558 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,trafo_out_FLAG"/> | |
15559 <output name="ctd_out" ftype="xml"> | |
15560 <assert_contents> | |
15561 <is_valid_xml/> | |
15562 </assert_contents> | |
15563 </output> | |
15564 </test> | |
15565 <test expect_num_outputs="2"> | |
15566 <conditional name="adv_opts_cond"> | |
15567 <param name="adv_opts_selector" value="advanced"/> | |
15568 <param name="force" value="false"/> | |
15569 <param name="test" value="true"/> | |
15570 </conditional> | |
15571 <param name="in" value="MapAlignerPoseClustering_2_input1.mzML,MapAlignerPoseClustering_2_input2.mzML,MapAlignerPoseClustering_2_input3.mzML"/> | |
15572 <output_collection name="out" count="3"/> | |
15573 <section name="reference"> | |
15574 <param name="index" value="0"/> | |
15575 </section> | |
15576 <section name="algorithm"> | |
15577 <param name="max_num_peaks_considered" value="400"/> | |
15578 <section name="superimposer"> | |
15579 <param name="mz_pair_max_distance" value="0.5"/> | |
15580 <param name="rt_pair_distance_fraction" value="0.1"/> | |
15581 <param name="num_used_points" value="2000"/> | |
15582 <param name="scaling_bucket_size" value="0.005"/> | |
15583 <param name="shift_bucket_size" value="3.0"/> | |
15584 <param name="max_shift" value="1000.0"/> | |
15585 <param name="max_scaling" value="2.0"/> | |
15586 <param name="dump_buckets" value=""/> | |
15587 <param name="dump_pairs" value=""/> | |
15588 </section> | |
15589 <section name="pairfinder"> | |
15590 <param name="second_nearest_gap" value="2.0"/> | |
15591 <param name="use_identifications" value="false"/> | |
15592 <param name="ignore_charge" value="false"/> | |
15593 <param name="ignore_adduct" value="true"/> | |
15594 <section name="distance_RT"> | |
15595 <param name="max_difference" value="100.0"/> | |
15596 <param name="exponent" value="1.0"/> | |
15597 <param name="weight" value="1.0"/> | |
15598 </section> | |
15599 <section name="distance_MZ"> | |
15600 <param name="max_difference" value="0.3"/> | |
15601 <param name="unit" value="Da"/> | |
15602 <param name="exponent" value="2.0"/> | |
15603 <param name="weight" value="1.0"/> | |
15604 </section> | |
15605 <section name="distance_intensity"> | |
15606 <param name="exponent" value="1.0"/> | |
15607 <param name="weight" value="0.0"/> | |
15608 <param name="log_transform" value="disabled"/> | |
15609 </section> | |
15610 </section> | |
15611 </section> | |
15612 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15613 <output name="ctd_out" ftype="xml"> | |
15614 <assert_contents> | |
15615 <is_valid_xml/> | |
15616 </assert_contents> | |
15617 </output> | |
15618 </test> | |
15619 <test expect_num_outputs="2"> | |
15620 <conditional name="adv_opts_cond"> | |
15621 <param name="adv_opts_selector" value="advanced"/> | |
15622 <param name="force" value="false"/> | |
15623 <param name="test" value="true"/> | |
15624 </conditional> | |
15625 <param name="in" value="MapAlignerPoseClustering_1_input2.featureXML,MapAlignerPoseClustering_1_input3.featureXML"/> | |
15626 <output_collection name="out" count="2"/> | |
15627 <section name="reference"> | |
15628 <param name="file" value="MapAlignerPoseClustering_1_input1.featureXML"/> | |
15629 <param name="index" value="0"/> | |
15630 </section> | |
15631 <section name="algorithm"> | |
15632 <param name="max_num_peaks_considered" value="400"/> | |
15633 <section name="superimposer"> | |
15634 <param name="mz_pair_max_distance" value="0.5"/> | |
15635 <param name="rt_pair_distance_fraction" value="0.1"/> | |
15636 <param name="num_used_points" value="2000"/> | |
15637 <param name="scaling_bucket_size" value="0.005"/> | |
15638 <param name="shift_bucket_size" value="3.0"/> | |
15639 <param name="max_shift" value="1000.0"/> | |
15640 <param name="max_scaling" value="2.0"/> | |
15641 <param name="dump_buckets" value=""/> | |
15642 <param name="dump_pairs" value=""/> | |
15643 </section> | |
15644 <section name="pairfinder"> | |
15645 <param name="second_nearest_gap" value="2.0"/> | |
15646 <param name="use_identifications" value="false"/> | |
15647 <param name="ignore_charge" value="true"/> | |
15648 <param name="ignore_adduct" value="true"/> | |
15649 <section name="distance_RT"> | |
15650 <param name="max_difference" value="30.0"/> | |
15651 <param name="exponent" value="1.0"/> | |
15652 <param name="weight" value="1.0"/> | |
15653 </section> | |
15654 <section name="distance_MZ"> | |
15655 <param name="max_difference" value="0.3"/> | |
15656 <param name="unit" value="Da"/> | |
15657 <param name="exponent" value="2.0"/> | |
15658 <param name="weight" value="1.0"/> | |
15659 </section> | |
15660 <section name="distance_intensity"> | |
15661 <param name="exponent" value="1.0"/> | |
15662 <param name="weight" value="0.0"/> | |
15663 <param name="log_transform" value="disabled"/> | |
15664 </section> | |
15665 </section> | |
15666 </section> | |
15667 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15668 <output name="ctd_out" ftype="xml"> | |
15669 <assert_contents> | |
15670 <is_valid_xml/> | |
15671 </assert_contents> | |
15672 </output> | |
15673 </test> | |
15674 <test expect_num_outputs="2"> | |
15675 <conditional name="adv_opts_cond"> | |
15676 <param name="adv_opts_selector" value="advanced"/> | |
15677 <param name="force" value="false"/> | |
15678 <param name="test" value="true"/> | |
15679 </conditional> | |
15680 <param name="in" value="MapAlignerPoseClustering_1_input1.featureXML,MapAlignerPoseClustering_1_input2.featureXML"/> | |
15681 <output_collection name="trafo_out" count="2"/> | |
15682 <section name="reference"> | |
15683 <param name="index" value="2"/> | |
15684 </section> | |
15685 <section name="algorithm"> | |
15686 <param name="max_num_peaks_considered" value="400"/> | |
15687 <section name="superimposer"> | |
15688 <param name="mz_pair_max_distance" value="0.5"/> | |
15689 <param name="rt_pair_distance_fraction" value="0.1"/> | |
15690 <param name="num_used_points" value="2000"/> | |
15691 <param name="scaling_bucket_size" value="0.005"/> | |
15692 <param name="shift_bucket_size" value="3.0"/> | |
15693 <param name="max_shift" value="1000.0"/> | |
15694 <param name="max_scaling" value="2.0"/> | |
15695 <param name="dump_buckets" value=""/> | |
15696 <param name="dump_pairs" value=""/> | |
15697 </section> | |
15698 <section name="pairfinder"> | |
15699 <param name="second_nearest_gap" value="2.0"/> | |
15700 <param name="use_identifications" value="false"/> | |
15701 <param name="ignore_charge" value="true"/> | |
15702 <param name="ignore_adduct" value="true"/> | |
15703 <section name="distance_RT"> | |
15704 <param name="max_difference" value="30.0"/> | |
15705 <param name="exponent" value="1.0"/> | |
15706 <param name="weight" value="1.0"/> | |
15707 </section> | |
15708 <section name="distance_MZ"> | |
15709 <param name="max_difference" value="0.3"/> | |
15710 <param name="unit" value="Da"/> | |
15711 <param name="exponent" value="2.0"/> | |
15712 <param name="weight" value="1.0"/> | |
15713 </section> | |
15714 <section name="distance_intensity"> | |
15715 <param name="exponent" value="1.0"/> | |
15716 <param name="weight" value="0.0"/> | |
15717 <param name="log_transform" value="disabled"/> | |
15718 </section> | |
15719 </section> | |
15720 </section> | |
15721 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
15722 <output name="ctd_out" ftype="xml"> | |
15723 <assert_contents> | |
15724 <is_valid_xml/> | |
15725 </assert_contents> | |
15726 </output> | |
15727 </test> | |
15728 </xml> | |
15729 <xml name="autotest_MapAlignerSpectrum"> | |
15730 <test expect_num_outputs="2"> | |
15731 <conditional name="adv_opts_cond"> | |
15732 <param name="adv_opts_selector" value="advanced"/> | |
15733 <param name="force" value="false"/> | |
15734 <param name="test" value="true"/> | |
15735 </conditional> | |
15736 <param name="in" value="MapAlignerSpectrum_1_input1.mzML,MapAlignerSpectrum_1_input2.mzML,MapAlignerSpectrum_1_input3.mzML"/> | |
15737 <output_collection name="out" count="3"/> | |
15738 <section name="algorithm"> | |
15739 <param name="gapcost" value="1.0"/> | |
15740 <param name="affinegapcost" value="0.5"/> | |
15741 <param name="cutoff_score" value="0.7"/> | |
15742 <param name="bucketsize" value="100"/> | |
15743 <param name="anchorpoints" value="100"/> | |
15744 <param name="mismatchscore" value="-5.0"/> | |
15745 <param name="scorefunction" value="SteinScottImproveScore"/> | |
15746 </section> | |
15747 <section name="model"> | |
15748 <param name="type" value="interpolated"/> | |
15749 <section name="linear"> | |
15750 <param name="symmetric_regression" value="false"/> | |
15751 <param name="x_weight" value=""/> | |
15752 <param name="y_weight" value=""/> | |
15753 <param name="x_datum_min" value="1e-15"/> | |
15754 <param name="x_datum_max" value="1000000000000000.0"/> | |
15755 <param name="y_datum_min" value="1e-15"/> | |
15756 <param name="y_datum_max" value="1000000000000000.0"/> | |
15757 </section> | |
15758 <section name="b_spline"> | |
15759 <param name="wavelength" value="0.0"/> | |
15760 <param name="num_nodes" value="5"/> | |
15761 <param name="extrapolate" value="linear"/> | |
15762 <param name="boundary_condition" value="2"/> | |
15763 </section> | |
15764 <section name="lowess"> | |
15765 <param name="span" value="0.666666666666667"/> | |
15766 <param name="num_iterations" value="3"/> | |
15767 <param name="delta" value="-1.0"/> | |
15768 <param name="interpolation_type" value="cspline"/> | |
15769 <param name="extrapolation_type" value="four-point-linear"/> | |
15770 </section> | |
15771 <section name="interpolated"> | |
15772 <param name="interpolation_type" value="cspline"/> | |
15773 <param name="extrapolation_type" value="two-point-linear"/> | |
15774 </section> | |
15775 </section> | |
15776 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15777 <output name="ctd_out" ftype="xml"> | |
15778 <assert_contents> | |
15779 <is_valid_xml/> | |
15780 </assert_contents> | |
15781 </output> | |
15782 </test> | |
15783 </xml> | |
15784 <xml name="autotest_MapAlignerTreeGuided"> | |
15785 <test expect_num_outputs="2"> | |
15786 <conditional name="adv_opts_cond"> | |
15787 <param name="adv_opts_selector" value="advanced"/> | |
15788 <param name="force" value="false"/> | |
15789 <param name="test" value="true"/> | |
15790 </conditional> | |
15791 <param name="in" value="MapAlignerTreeGuided_1_input1.featureXML,MapAlignerTreeGuided_1_input2.featureXML,MapAlignerTreeGuided_1_input3.featureXML"/> | |
15792 <output_collection name="out" count="3"/> | |
15793 <section name="algorithm"> | |
15794 <param name="model_type" value="b_spline"/> | |
15795 <section name="model"> | |
15796 <param name="type" value="b_spline"/> | |
15797 <section name="linear"> | |
15798 <param name="symmetric_regression" value="false"/> | |
15799 <param name="x_weight" value=""/> | |
15800 <param name="y_weight" value=""/> | |
15801 <param name="x_datum_min" value="1e-15"/> | |
15802 <param name="x_datum_max" value="1000000000000000.0"/> | |
15803 <param name="y_datum_min" value="1e-15"/> | |
15804 <param name="y_datum_max" value="1000000000000000.0"/> | |
15805 </section> | |
15806 <section name="b_spline"> | |
15807 <param name="wavelength" value="0.0"/> | |
15808 <param name="num_nodes" value="5"/> | |
15809 <param name="extrapolate" value="linear"/> | |
15810 <param name="boundary_condition" value="2"/> | |
15811 </section> | |
15812 <section name="lowess"> | |
15813 <param name="span" value="0.666666666666667"/> | |
15814 <param name="num_iterations" value="3"/> | |
15815 <param name="delta" value="-1.0"/> | |
15816 <param name="interpolation_type" value="cspline"/> | |
15817 <param name="extrapolation_type" value="four-point-linear"/> | |
15818 </section> | |
15819 <section name="interpolated"> | |
15820 <param name="interpolation_type" value="cspline"/> | |
15821 <param name="extrapolation_type" value="two-point-linear"/> | |
15822 </section> | |
15823 </section> | |
15824 <section name="align_algorithm"> | |
15825 <param name="score_cutoff" value="false"/> | |
15826 <param name="min_score" value="0.05"/> | |
15827 <param name="min_run_occur" value="2"/> | |
15828 <param name="max_rt_shift" value="0.5"/> | |
15829 <param name="use_unassigned_peptides" value="true"/> | |
15830 <param name="use_feature_rt" value="true"/> | |
15831 </section> | |
15832 </section> | |
15833 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15834 <output name="ctd_out" ftype="xml"> | |
15835 <assert_contents> | |
15836 <is_valid_xml/> | |
15837 </assert_contents> | |
15838 </output> | |
15839 </test> | |
15840 <test expect_num_outputs="2"> | |
15841 <conditional name="adv_opts_cond"> | |
15842 <param name="adv_opts_selector" value="advanced"/> | |
15843 <param name="force" value="false"/> | |
15844 <param name="test" value="true"/> | |
15845 </conditional> | |
15846 <param name="in" value="MapAlignerTreeGuided_1_input1.featureXML,MapAlignerTreeGuided_1_input2.featureXML,MapAlignerTreeGuided_1_input3.featureXML"/> | |
15847 <output_collection name="trafo_out" count="3"/> | |
15848 <section name="algorithm"> | |
15849 <param name="model_type" value="b_spline"/> | |
15850 <section name="model"> | |
15851 <param name="type" value="b_spline"/> | |
15852 <section name="linear"> | |
15853 <param name="symmetric_regression" value="false"/> | |
15854 <param name="x_weight" value=""/> | |
15855 <param name="y_weight" value=""/> | |
15856 <param name="x_datum_min" value="1e-15"/> | |
15857 <param name="x_datum_max" value="1000000000000000.0"/> | |
15858 <param name="y_datum_min" value="1e-15"/> | |
15859 <param name="y_datum_max" value="1000000000000000.0"/> | |
15860 </section> | |
15861 <section name="b_spline"> | |
15862 <param name="wavelength" value="0.0"/> | |
15863 <param name="num_nodes" value="5"/> | |
15864 <param name="extrapolate" value="linear"/> | |
15865 <param name="boundary_condition" value="2"/> | |
15866 </section> | |
15867 <section name="lowess"> | |
15868 <param name="span" value="0.666666666666667"/> | |
15869 <param name="num_iterations" value="3"/> | |
15870 <param name="delta" value="-1.0"/> | |
15871 <param name="interpolation_type" value="cspline"/> | |
15872 <param name="extrapolation_type" value="four-point-linear"/> | |
15873 </section> | |
15874 <section name="interpolated"> | |
15875 <param name="interpolation_type" value="cspline"/> | |
15876 <param name="extrapolation_type" value="two-point-linear"/> | |
15877 </section> | |
15878 </section> | |
15879 <section name="align_algorithm"> | |
15880 <param name="score_cutoff" value="false"/> | |
15881 <param name="min_score" value="0.05"/> | |
15882 <param name="min_run_occur" value="2"/> | |
15883 <param name="max_rt_shift" value="0.5"/> | |
15884 <param name="use_unassigned_peptides" value="true"/> | |
15885 <param name="use_feature_rt" value="true"/> | |
15886 </section> | |
15887 </section> | |
15888 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
15889 <output name="ctd_out" ftype="xml"> | |
15890 <assert_contents> | |
15891 <is_valid_xml/> | |
15892 </assert_contents> | |
15893 </output> | |
15894 </test> | |
15895 <test expect_num_outputs="2"> | |
15896 <conditional name="adv_opts_cond"> | |
15897 <param name="adv_opts_selector" value="advanced"/> | |
15898 <param name="force" value="false"/> | |
15899 <param name="test" value="true"/> | |
15900 </conditional> | |
15901 <param name="in" value="MapAlignerTreeGuided_1_input1.featureXML,MapAlignerTreeGuided_1_input2.featureXML,MapAlignerTreeGuided_1_input3.featureXML"/> | |
15902 <output_collection name="out" count="3"/> | |
15903 <section name="algorithm"> | |
15904 <param name="model_type" value="b_spline"/> | |
15905 <section name="model"> | |
15906 <param name="type" value="b_spline"/> | |
15907 <section name="linear"> | |
15908 <param name="symmetric_regression" value="false"/> | |
15909 <param name="x_weight" value=""/> | |
15910 <param name="y_weight" value=""/> | |
15911 <param name="x_datum_min" value="1e-15"/> | |
15912 <param name="x_datum_max" value="1000000000000000.0"/> | |
15913 <param name="y_datum_min" value="1e-15"/> | |
15914 <param name="y_datum_max" value="1000000000000000.0"/> | |
15915 </section> | |
15916 <section name="b_spline"> | |
15917 <param name="wavelength" value="0.0"/> | |
15918 <param name="num_nodes" value="5"/> | |
15919 <param name="extrapolate" value="linear"/> | |
15920 <param name="boundary_condition" value="2"/> | |
15921 </section> | |
15922 <section name="lowess"> | |
15923 <param name="span" value="0.666666666666667"/> | |
15924 <param name="num_iterations" value="3"/> | |
15925 <param name="delta" value="-1.0"/> | |
15926 <param name="interpolation_type" value="cspline"/> | |
15927 <param name="extrapolation_type" value="four-point-linear"/> | |
15928 </section> | |
15929 <section name="interpolated"> | |
15930 <param name="interpolation_type" value="cspline"/> | |
15931 <param name="extrapolation_type" value="two-point-linear"/> | |
15932 </section> | |
15933 </section> | |
15934 <section name="align_algorithm"> | |
15935 <param name="score_cutoff" value="false"/> | |
15936 <param name="min_score" value="0.05"/> | |
15937 <param name="min_run_occur" value="2"/> | |
15938 <param name="max_rt_shift" value="0.5"/> | |
15939 <param name="use_unassigned_peptides" value="true"/> | |
15940 <param name="use_feature_rt" value="true"/> | |
15941 </section> | |
15942 </section> | |
15943 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15944 <output name="ctd_out" ftype="xml"> | |
15945 <assert_contents> | |
15946 <is_valid_xml/> | |
15947 </assert_contents> | |
15948 </output> | |
15949 </test> | |
15950 </xml> | |
15951 <xml name="autotest_MapNormalizer"> | |
15952 <test expect_num_outputs="2"> | |
15953 <conditional name="adv_opts_cond"> | |
15954 <param name="adv_opts_selector" value="advanced"/> | |
15955 <param name="force" value="false"/> | |
15956 <param name="test" value="true"/> | |
15957 </conditional> | |
15958 <param name="in" value="MapNormalizer_input.mzML"/> | |
15959 <output name="out" file="MapNormalizer.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
15960 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15961 <output name="ctd_out" ftype="xml"> | |
15962 <assert_contents> | |
15963 <is_valid_xml/> | |
15964 </assert_contents> | |
15965 </output> | |
15966 </test> | |
15967 </xml> | |
15968 <xml name="autotest_MapRTTransformer"> | |
15969 <test expect_num_outputs="2"> | |
15970 <conditional name="adv_opts_cond"> | |
15971 <param name="adv_opts_selector" value="advanced"/> | |
15972 <param name="force" value="false"/> | |
15973 <param name="test" value="true"/> | |
15974 </conditional> | |
15975 <param name="in" value="MapRTTransformer_1_input.featureXML"/> | |
15976 <output name="out" file="MapRTTransformer_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
15977 <param name="trafo_in" value="MapRTTransformer_trafo_linear.trafoXML"/> | |
15978 <param name="invert" value="false"/> | |
15979 <param name="store_original_rt" value="false"/> | |
15980 <section name="model"> | |
15981 <param name="type" value="none"/> | |
15982 <section name="linear"> | |
15983 <param name="symmetric_regression" value="false"/> | |
15984 <param name="x_weight" value=""/> | |
15985 <param name="y_weight" value=""/> | |
15986 <param name="x_datum_min" value="1e-15"/> | |
15987 <param name="x_datum_max" value="1000000000000000.0"/> | |
15988 <param name="y_datum_min" value="1e-15"/> | |
15989 <param name="y_datum_max" value="1000000000000000.0"/> | |
15990 </section> | |
15991 <section name="b_spline"> | |
15992 <param name="wavelength" value="0.0"/> | |
15993 <param name="num_nodes" value="5"/> | |
15994 <param name="extrapolate" value="linear"/> | |
15995 <param name="boundary_condition" value="2"/> | |
15996 </section> | |
15997 <section name="lowess"> | |
15998 <param name="span" value="0.666666666666667"/> | |
15999 <param name="num_iterations" value="3"/> | |
16000 <param name="delta" value="-1.0"/> | |
16001 <param name="interpolation_type" value="cspline"/> | |
16002 <param name="extrapolation_type" value="four-point-linear"/> | |
16003 </section> | |
16004 <section name="interpolated"> | |
16005 <param name="interpolation_type" value="cspline"/> | |
16006 <param name="extrapolation_type" value="two-point-linear"/> | |
16007 </section> | |
16008 </section> | |
16009 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
16010 <output name="ctd_out" ftype="xml"> | |
16011 <assert_contents> | |
16012 <is_valid_xml/> | |
16013 </assert_contents> | |
16014 </output> | |
16015 </test> | |
16016 <test expect_num_outputs="2"> | |
16017 <conditional name="adv_opts_cond"> | |
16018 <param name="adv_opts_selector" value="advanced"/> | |
16019 <param name="force" value="false"/> | |
16020 <param name="test" value="true"/> | |
16021 </conditional> | |
16022 <param name="in" value="MapRTTransformer_2_input.mzML"/> | |
16023 <output name="out" file="MapRTTransformer_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16024 <param name="trafo_in" value="MapRTTransformer_trafo_linear.trafoXML"/> | |
16025 <param name="invert" value="false"/> | |
16026 <param name="store_original_rt" value="false"/> | |
16027 <section name="model"> | |
16028 <param name="type" value="none"/> | |
16029 <section name="linear"> | |
16030 <param name="symmetric_regression" value="false"/> | |
16031 <param name="x_weight" value=""/> | |
16032 <param name="y_weight" value=""/> | |
16033 <param name="x_datum_min" value="1e-15"/> | |
16034 <param name="x_datum_max" value="1000000000000000.0"/> | |
16035 <param name="y_datum_min" value="1e-15"/> | |
16036 <param name="y_datum_max" value="1000000000000000.0"/> | |
16037 </section> | |
16038 <section name="b_spline"> | |
16039 <param name="wavelength" value="0.0"/> | |
16040 <param name="num_nodes" value="5"/> | |
16041 <param name="extrapolate" value="linear"/> | |
16042 <param name="boundary_condition" value="2"/> | |
16043 </section> | |
16044 <section name="lowess"> | |
16045 <param name="span" value="0.666666666666667"/> | |
16046 <param name="num_iterations" value="3"/> | |
16047 <param name="delta" value="-1.0"/> | |
16048 <param name="interpolation_type" value="cspline"/> | |
16049 <param name="extrapolation_type" value="four-point-linear"/> | |
16050 </section> | |
16051 <section name="interpolated"> | |
16052 <param name="interpolation_type" value="cspline"/> | |
16053 <param name="extrapolation_type" value="two-point-linear"/> | |
16054 </section> | |
16055 </section> | |
16056 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
16057 <output name="ctd_out" ftype="xml"> | |
16058 <assert_contents> | |
16059 <is_valid_xml/> | |
16060 </assert_contents> | |
16061 </output> | |
16062 </test> | |
16063 <test expect_num_outputs="2"> | |
16064 <conditional name="adv_opts_cond"> | |
16065 <param name="adv_opts_selector" value="advanced"/> | |
16066 <param name="force" value="false"/> | |
16067 <param name="test" value="true"/> | |
16068 </conditional> | |
16069 <param name="trafo_in" value="MapAlignerPoseClustering_1_trafo2.trafoXML"/> | |
16070 <output name="trafo_out" file="MapRTTransformer_3_trafo.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
16071 <param name="invert" value="true"/> | |
16072 <param name="store_original_rt" value="false"/> | |
16073 <section name="model"> | |
16074 <param name="type" value="none"/> | |
16075 <section name="linear"> | |
16076 <param name="symmetric_regression" value="false"/> | |
16077 <param name="x_weight" value=""/> | |
16078 <param name="y_weight" value=""/> | |
16079 <param name="x_datum_min" value="1e-15"/> | |
16080 <param name="x_datum_max" value="1000000000000000.0"/> | |
16081 <param name="y_datum_min" value="1e-15"/> | |
16082 <param name="y_datum_max" value="1000000000000000.0"/> | |
16083 </section> | |
16084 <section name="b_spline"> | |
16085 <param name="wavelength" value="0.0"/> | |
16086 <param name="num_nodes" value="5"/> | |
16087 <param name="extrapolate" value="linear"/> | |
16088 <param name="boundary_condition" value="2"/> | |
16089 </section> | |
16090 <section name="lowess"> | |
16091 <param name="span" value="0.666666666666667"/> | |
16092 <param name="num_iterations" value="3"/> | |
16093 <param name="delta" value="-1.0"/> | |
16094 <param name="interpolation_type" value="cspline"/> | |
16095 <param name="extrapolation_type" value="four-point-linear"/> | |
16096 </section> | |
16097 <section name="interpolated"> | |
16098 <param name="interpolation_type" value="cspline"/> | |
16099 <param name="extrapolation_type" value="two-point-linear"/> | |
16100 </section> | |
16101 </section> | |
16102 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
16103 <output name="ctd_out" ftype="xml"> | |
16104 <assert_contents> | |
16105 <is_valid_xml/> | |
16106 </assert_contents> | |
16107 </output> | |
16108 </test> | |
16109 <test expect_num_outputs="2"> | |
16110 <conditional name="adv_opts_cond"> | |
16111 <param name="adv_opts_selector" value="advanced"/> | |
16112 <param name="force" value="false"/> | |
16113 <param name="test" value="true"/> | |
16114 </conditional> | |
16115 <param name="in" value="MapRTTransformer_4_input.chrom.mzML"/> | |
16116 <output name="out" file="MapRTTransformer_4_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16117 <param name="trafo_in" value="MapRTTransformer_trafo_linear.trafoXML"/> | |
16118 <param name="invert" value="false"/> | |
16119 <param name="store_original_rt" value="false"/> | |
16120 <section name="model"> | |
16121 <param name="type" value="none"/> | |
16122 <section name="linear"> | |
16123 <param name="symmetric_regression" value="false"/> | |
16124 <param name="x_weight" value=""/> | |
16125 <param name="y_weight" value=""/> | |
16126 <param name="x_datum_min" value="1e-15"/> | |
16127 <param name="x_datum_max" value="1000000000000000.0"/> | |
16128 <param name="y_datum_min" value="1e-15"/> | |
16129 <param name="y_datum_max" value="1000000000000000.0"/> | |
16130 </section> | |
16131 <section name="b_spline"> | |
16132 <param name="wavelength" value="0.0"/> | |
16133 <param name="num_nodes" value="5"/> | |
16134 <param name="extrapolate" value="linear"/> | |
16135 <param name="boundary_condition" value="2"/> | |
16136 </section> | |
16137 <section name="lowess"> | |
16138 <param name="span" value="0.666666666666667"/> | |
16139 <param name="num_iterations" value="3"/> | |
16140 <param name="delta" value="-1.0"/> | |
16141 <param name="interpolation_type" value="cspline"/> | |
16142 <param name="extrapolation_type" value="four-point-linear"/> | |
16143 </section> | |
16144 <section name="interpolated"> | |
16145 <param name="interpolation_type" value="cspline"/> | |
16146 <param name="extrapolation_type" value="two-point-linear"/> | |
16147 </section> | |
16148 </section> | |
16149 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
16150 <output name="ctd_out" ftype="xml"> | |
16151 <assert_contents> | |
16152 <is_valid_xml/> | |
16153 </assert_contents> | |
16154 </output> | |
16155 </test> | |
16156 <test expect_num_outputs="2"> | |
16157 <conditional name="adv_opts_cond"> | |
16158 <param name="adv_opts_selector" value="advanced"/> | |
16159 <param name="force" value="false"/> | |
16160 <param name="test" value="true"/> | |
16161 </conditional> | |
16162 <param name="in" value="MapRTTransformer_1_input.featureXML"/> | |
16163 <output name="out" file="MapRTTransformer_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
16164 <param name="trafo_in" value="MapRTTransformer_trafo_none.trafoXML"/> | |
16165 <param name="invert" value="false"/> | |
16166 <param name="store_original_rt" value="false"/> | |
16167 <section name="model"> | |
16168 <param name="type" value="none"/> | |
16169 <section name="linear"> | |
16170 <param name="symmetric_regression" value="false"/> | |
16171 <param name="x_weight" value=""/> | |
16172 <param name="y_weight" value=""/> | |
16173 <param name="x_datum_min" value="1e-15"/> | |
16174 <param name="x_datum_max" value="1000000000000000.0"/> | |
16175 <param name="y_datum_min" value="1e-15"/> | |
16176 <param name="y_datum_max" value="1000000000000000.0"/> | |
16177 </section> | |
16178 <section name="b_spline"> | |
16179 <param name="wavelength" value="0.0"/> | |
16180 <param name="num_nodes" value="5"/> | |
16181 <param name="extrapolate" value="linear"/> | |
16182 <param name="boundary_condition" value="2"/> | |
16183 </section> | |
16184 <section name="lowess"> | |
16185 <param name="span" value="0.666666666666667"/> | |
16186 <param name="num_iterations" value="3"/> | |
16187 <param name="delta" value="-1.0"/> | |
16188 <param name="interpolation_type" value="cspline"/> | |
16189 <param name="extrapolation_type" value="four-point-linear"/> | |
16190 </section> | |
16191 <section name="interpolated"> | |
16192 <param name="interpolation_type" value="cspline"/> | |
16193 <param name="extrapolation_type" value="two-point-linear"/> | |
16194 </section> | |
16195 </section> | |
16196 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
16197 <output name="ctd_out" ftype="xml"> | |
16198 <assert_contents> | |
16199 <is_valid_xml/> | |
16200 </assert_contents> | |
16201 </output> | |
16202 </test> | |
16203 <test expect_num_outputs="2"> | |
16204 <conditional name="adv_opts_cond"> | |
16205 <param name="adv_opts_selector" value="advanced"/> | |
16206 <param name="force" value="false"/> | |
16207 <param name="test" value="true"/> | |
16208 </conditional> | |
16209 <param name="in" value="MapRTTransformer_1_input.featureXML"/> | |
16210 <output name="out" file="MapRTTransformer_6_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
16211 <param name="trafo_in" value="MapRTTransformer_trafo_linear.trafoXML"/> | |
16212 <param name="invert" value="false"/> | |
16213 <param name="store_original_rt" value="true"/> | |
16214 <section name="model"> | |
16215 <param name="type" value="none"/> | |
16216 <section name="linear"> | |
16217 <param name="symmetric_regression" value="false"/> | |
16218 <param name="x_weight" value=""/> | |
16219 <param name="y_weight" value=""/> | |
16220 <param name="x_datum_min" value="1e-15"/> | |
16221 <param name="x_datum_max" value="1000000000000000.0"/> | |
16222 <param name="y_datum_min" value="1e-15"/> | |
16223 <param name="y_datum_max" value="1000000000000000.0"/> | |
16224 </section> | |
16225 <section name="b_spline"> | |
16226 <param name="wavelength" value="0.0"/> | |
16227 <param name="num_nodes" value="5"/> | |
16228 <param name="extrapolate" value="linear"/> | |
16229 <param name="boundary_condition" value="2"/> | |
16230 </section> | |
16231 <section name="lowess"> | |
16232 <param name="span" value="0.666666666666667"/> | |
16233 <param name="num_iterations" value="3"/> | |
16234 <param name="delta" value="-1.0"/> | |
16235 <param name="interpolation_type" value="cspline"/> | |
16236 <param name="extrapolation_type" value="four-point-linear"/> | |
16237 </section> | |
16238 <section name="interpolated"> | |
16239 <param name="interpolation_type" value="cspline"/> | |
16240 <param name="extrapolation_type" value="two-point-linear"/> | |
16241 </section> | |
16242 </section> | |
16243 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
16244 <output name="ctd_out" ftype="xml"> | |
16245 <assert_contents> | |
16246 <is_valid_xml/> | |
16247 </assert_contents> | |
16248 </output> | |
16249 </test> | |
16250 </xml> | |
16251 <xml name="autotest_MapStatistics"> | |
16252 </xml> | |
16253 <xml name="autotest_MaRaClusterAdapter"/> | |
16254 <xml name="autotest_MascotAdapterOnline"> | |
16255 <test expect_num_outputs="2"> | |
16256 <conditional name="adv_opts_cond"> | |
16257 <param name="adv_opts_selector" value="advanced"/> | |
16258 <param name="keep_protein_links" value="true"/> | |
16259 <param name="force" value="false"/> | |
16260 <param name="test" value="true"/> | |
16261 </conditional> | |
16262 <param name="in" value="spectra_comet.mzML"/> | |
16263 <output name="out" file="MascotAdapterOnline_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16264 <section name="Mascot_parameters"> | |
16265 <param name="database" value="SwissProt"/> | |
16266 <param name="search_type" value="MIS"/> | |
16267 <param name="enzyme" value="Trypsin"/> | |
16268 <param name="instrument" value="Default"/> | |
16269 <param name="missed_cleavages" value="1"/> | |
16270 <param name="precursor_mass_tolerance" value="3.0"/> | |
16271 <param name="precursor_error_units" value="Da"/> | |
16272 <param name="fragment_mass_tolerance" value="0.3"/> | |
16273 <param name="fragment_error_units" value="Da"/> | |
16274 <param name="charges" value="1,2,3"/> | |
16275 <param name="taxonomy" value="All entries"/> | |
16276 <param name="fixed_modifications" value=""/> | |
16277 <param name="variable_modifications" value=""/> | |
16278 <param name="special_modifications" value="Cation:Na (DE),Deamidated (NQ),Oxidation (HW),Phospho (ST),Sulfo (ST)"/> | |
16279 <param name="mass_type" value="monoisotopic"/> | |
16280 <param name="number_of_hits" value="0"/> | |
16281 <param name="skip_spectrum_charges" value="false"/> | |
16282 <param name="search_title" value="OpenMS_search"/> | |
16283 <param name="username" value="OpenMS"/> | |
16284 <param name="email" value="openmsjenkins@gmail.com"/> | |
16285 </section> | |
16286 <section name="Mascot_server"> | |
16287 <param name="hostname" value="www.matrixscience.com"/> | |
16288 <param name="host_port" value="80"/> | |
16289 <param name="server_path" value=""/> | |
16290 <param name="timeout" value="1500"/> | |
16291 <param name="boundary" value="GZWgAaYKjHFeUaLOLEIOMq"/> | |
16292 <param name="use_proxy" value="false"/> | |
16293 <param name="proxy_host" value=""/> | |
16294 <param name="proxy_port" value="0"/> | |
16295 <param name="proxy_username" value=""/> | |
16296 <param name="proxy_password" value=""/> | |
16297 <param name="login" value="false"/> | |
16298 <param name="username" value=""/> | |
16299 <param name="password" value=""/> | |
16300 <param name="use_ssl" value="false"/> | |
16301 <param name="export_params" value="_ignoreionsscorebelow=0&_sigthreshold=0.99&_showsubsets=1&show_same_sets=1&report=0&percolate=0&query_master=0"/> | |
16302 <param name="skip_export" value="false"/> | |
16303 </section> | |
16304 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16305 <output name="ctd_out" ftype="xml"> | |
16306 <assert_contents> | |
16307 <is_valid_xml/> | |
16308 </assert_contents> | |
16309 </output> | |
16310 </test> | |
16311 </xml> | |
16312 <xml name="autotest_MascotAdapter"> | |
16313 <test expect_num_outputs="2"> | |
16314 <conditional name="adv_opts_cond"> | |
16315 <param name="adv_opts_selector" value="advanced"/> | |
16316 <param name="force" value="false"/> | |
16317 <param name="test" value="true"/> | |
16318 </conditional> | |
16319 <param name="in" value="MascotAdapter_1_input.mzData"/> | |
16320 <output name="out" file="MascotAdapter_1_output.mascot_in" compare="sim_size" delta="5700"/> | |
16321 <param name="out_type" value="mgf"/> | |
16322 <param name="instrument" value="ESI-TRAP"/> | |
16323 <param name="precursor_mass_tolerance" value="1.3"/> | |
16324 <param name="peak_mass_tolerance" value="0.3"/> | |
16325 <param name="taxonomy" value=". . . . . . Chordata (vertebrates and relatives)"/> | |
16326 <param name="modifications" value=""Carboxymethyl (C)""/> | |
16327 <param name="variable_modifications" value=""Variable_Modifications_TEST_1""/> | |
16328 <param name="charges" value=""1+" "2+" "3+""/> | |
16329 <param name="db" value="MSDB"/> | |
16330 <param name="hits" value="AUTO"/> | |
16331 <param name="cleavage" value="Trypsin"/> | |
16332 <param name="missed_cleavages" value="1"/> | |
16333 <param name="sig_threshold" value="0.05"/> | |
16334 <param name="pep_homol" value="1.0"/> | |
16335 <param name="pep_ident" value="1.0"/> | |
16336 <param name="pep_rank" value="1"/> | |
16337 <param name="prot_score" value="1.0"/> | |
16338 <param name="pep_score" value="1.0"/> | |
16339 <param name="pep_exp_z" value="1"/> | |
16340 <param name="show_unassigned" value="1"/> | |
16341 <param name="first_dim_rt" value="0.0"/> | |
16342 <param name="boundary" value="ABCDEFGHIJKMNOPQRSTUVWXYZ"/> | |
16343 <param name="mass_type" value="Monoisotopic"/> | |
16344 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16345 <output name="ctd_out" ftype="xml"> | |
16346 <assert_contents> | |
16347 <is_valid_xml/> | |
16348 </assert_contents> | |
16349 </output> | |
16350 </test> | |
16351 <test expect_num_outputs="2"> | |
16352 <conditional name="adv_opts_cond"> | |
16353 <param name="adv_opts_selector" value="advanced"/> | |
16354 <param name="force" value="false"/> | |
16355 <param name="test" value="true"/> | |
16356 </conditional> | |
16357 <param name="in" value="MascotAdapter_2_input.mascotXML"/> | |
16358 <output name="out" file="MascotAdapter_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16359 <param name="out_type" value="idXML"/> | |
16360 <param name="instrument" value="Default"/> | |
16361 <param name="precursor_mass_tolerance" value="2.0"/> | |
16362 <param name="peak_mass_tolerance" value="1.0"/> | |
16363 <param name="taxonomy" value="All entries"/> | |
16364 <param name="modifications" value=""/> | |
16365 <param name="variable_modifications" value=""/> | |
16366 <param name="charges" value=""1+" "2+" "3+""/> | |
16367 <param name="db" value="MSDB"/> | |
16368 <param name="hits" value="AUTO"/> | |
16369 <param name="cleavage" value="Trypsin"/> | |
16370 <param name="missed_cleavages" value="0"/> | |
16371 <param name="sig_threshold" value="0.05"/> | |
16372 <param name="pep_homol" value="1.0"/> | |
16373 <param name="pep_ident" value="1.0"/> | |
16374 <param name="pep_rank" value="1"/> | |
16375 <param name="prot_score" value="1.0"/> | |
16376 <param name="pep_score" value="1.0"/> | |
16377 <param name="pep_exp_z" value="1"/> | |
16378 <param name="show_unassigned" value="1"/> | |
16379 <param name="first_dim_rt" value="0.0"/> | |
16380 <param name="boundary" value=""/> | |
16381 <param name="mass_type" value="Monoisotopic"/> | |
16382 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16383 <output name="ctd_out" ftype="xml"> | |
16384 <assert_contents> | |
16385 <is_valid_xml/> | |
16386 </assert_contents> | |
16387 </output> | |
16388 </test> | |
16389 </xml> | |
16390 <xml name="autotest_MassCalculator"> | |
16391 <test expect_num_outputs="2"> | |
16392 <conditional name="adv_opts_cond"> | |
16393 <param name="adv_opts_selector" value="advanced"/> | |
16394 <param name="force" value="false"/> | |
16395 <param name="test" value="true"/> | |
16396 </conditional> | |
16397 <param name="in" value="MassCalculator_1_input.tsv" ftype="tabular"/> | |
16398 <param name="in_seq" value=""/> | |
16399 <output name="out" file="MassCalculator_1_output.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
16400 <param name="charge" value="0 1"/> | |
16401 <param name="format" value="table"/> | |
16402 <param name="average_mass" value="false"/> | |
16403 <param name="fragment_type" value="full"/> | |
16404 <param name="separator" value=","/> | |
16405 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
16406 <output name="ctd_out" ftype="xml"> | |
16407 <assert_contents> | |
16408 <is_valid_xml/> | |
16409 </assert_contents> | |
16410 </output> | |
16411 </test> | |
16412 <test expect_num_outputs="2"> | |
16413 <conditional name="adv_opts_cond"> | |
16414 <param name="adv_opts_selector" value="advanced"/> | |
16415 <param name="force" value="false"/> | |
16416 <param name="test" value="true"/> | |
16417 </conditional> | |
16418 <param name="in_seq" value=""LDQWLC(Carbamidomethyl)EKL" "(Glu->pyro-Glu)EAM(Oxidation)APKHK" "RANVM(Oxidation)DYR" "FGVEQDVDMVFASFIR""/> | |
16419 <output name="out" file="MassCalculator_2_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
16420 <param name="charge" value="1 2 3"/> | |
16421 <param name="format" value="list"/> | |
16422 <param name="average_mass" value="false"/> | |
16423 <param name="fragment_type" value="full"/> | |
16424 <param name="separator" value=""/> | |
16425 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
16426 <output name="ctd_out" ftype="xml"> | |
16427 <assert_contents> | |
16428 <is_valid_xml/> | |
16429 </assert_contents> | |
16430 </output> | |
16431 </test> | |
16432 </xml> | |
16433 <xml name="autotest_MassTraceExtractor"> | |
16434 <test expect_num_outputs="2"> | |
16435 <conditional name="adv_opts_cond"> | |
16436 <param name="adv_opts_selector" value="advanced"/> | |
16437 <param name="force" value="false"/> | |
16438 <param name="test" value="true"/> | |
16439 </conditional> | |
16440 <param name="in" value="MassTraceExtractor_1_input.mzML"/> | |
16441 <output name="out" file="MassTraceExtractor_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
16442 <param name="out_type" value="featurexml"/> | |
16443 <section name="algorithm"> | |
16444 <section name="common"> | |
16445 <param name="noise_threshold_int" value="10.0"/> | |
16446 <param name="chrom_peak_snr" value="3.0"/> | |
16447 <param name="chrom_fwhm" value="5.0"/> | |
16448 </section> | |
16449 <section name="mtd"> | |
16450 <param name="mass_error_ppm" value="20.0"/> | |
16451 <param name="reestimate_mt_sd" value="true"/> | |
16452 <param name="quant_method" value="area"/> | |
16453 <param name="trace_termination_criterion" value="outlier"/> | |
16454 <param name="trace_termination_outliers" value="5"/> | |
16455 <param name="min_sample_rate" value="0.5"/> | |
16456 <param name="min_trace_length" value="5.0"/> | |
16457 <param name="max_trace_length" value="-1.0"/> | |
16458 </section> | |
16459 <section name="epd"> | |
16460 <param name="width_filtering" value="off"/> | |
16461 <param name="min_fwhm" value="3.0"/> | |
16462 <param name="max_fwhm" value="60.0"/> | |
16463 <param name="masstrace_snr_filtering" value="false"/> | |
16464 <param name="enabled" value="true"/> | |
16465 </section> | |
16466 </section> | |
16467 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16468 <output name="ctd_out" ftype="xml"> | |
16469 <assert_contents> | |
16470 <is_valid_xml/> | |
16471 </assert_contents> | |
16472 </output> | |
16473 </test> | |
16474 <test expect_num_outputs="2"> | |
16475 <conditional name="adv_opts_cond"> | |
16476 <param name="adv_opts_selector" value="advanced"/> | |
16477 <param name="force" value="false"/> | |
16478 <param name="test" value="true"/> | |
16479 </conditional> | |
16480 <param name="in" value="MassTraceExtractor_1_input.mzML"/> | |
16481 <output name="out" file="MassTraceExtractor_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
16482 <param name="out_type" value="featurexml"/> | |
16483 <section name="algorithm"> | |
16484 <section name="common"> | |
16485 <param name="noise_threshold_int" value="10.0"/> | |
16486 <param name="chrom_peak_snr" value="3.0"/> | |
16487 <param name="chrom_fwhm" value="5.0"/> | |
16488 </section> | |
16489 <section name="mtd"> | |
16490 <param name="mass_error_ppm" value="20.0"/> | |
16491 <param name="reestimate_mt_sd" value="true"/> | |
16492 <param name="quant_method" value="area"/> | |
16493 <param name="trace_termination_criterion" value="outlier"/> | |
16494 <param name="trace_termination_outliers" value="5"/> | |
16495 <param name="min_sample_rate" value="0.5"/> | |
16496 <param name="min_trace_length" value="6.0"/> | |
16497 <param name="max_trace_length" value="12.0"/> | |
16498 </section> | |
16499 <section name="epd"> | |
16500 <param name="width_filtering" value="off"/> | |
16501 <param name="min_fwhm" value="3.0"/> | |
16502 <param name="max_fwhm" value="60.0"/> | |
16503 <param name="masstrace_snr_filtering" value="false"/> | |
16504 <param name="enabled" value="true"/> | |
16505 </section> | |
16506 </section> | |
16507 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16508 <output name="ctd_out" ftype="xml"> | |
16509 <assert_contents> | |
16510 <is_valid_xml/> | |
16511 </assert_contents> | |
16512 </output> | |
16513 </test> | |
16514 </xml> | |
16515 <xml name="autotest_MetaboliteAdductDecharger"> | |
16516 <test expect_num_outputs="2"> | |
16517 <conditional name="adv_opts_cond"> | |
16518 <param name="adv_opts_selector" value="advanced"/> | |
16519 <param name="force" value="false"/> | |
16520 <param name="test" value="true"/> | |
16521 </conditional> | |
16522 <param name="in" value="MetaboliteAdductDecharger_input.featureXML"/> | |
16523 <output name="out_fm" file="MetaboliteAdductDecharger_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
16524 <section name="algorithm"> | |
16525 <section name="MetaboliteFeatureDeconvolution"> | |
16526 <param name="charge_min" value="1"/> | |
16527 <param name="charge_max" value="3"/> | |
16528 <param name="charge_span_max" value="3"/> | |
16529 <param name="q_try" value="feature"/> | |
16530 <param name="retention_max_diff" value="1.0"/> | |
16531 <param name="retention_max_diff_local" value="1.0"/> | |
16532 <param name="mass_max_diff" value="0.05"/> | |
16533 <param name="unit" value="Da"/> | |
16534 <param name="potential_adducts" value=""H:+:0.4" "Na:+:0.25" "NH4:+:0.25" "K:+:0.1" "H-2O-1:0:0.05""/> | |
16535 <param name="max_neutrals" value="1"/> | |
16536 <param name="use_minority_bound" value="true"/> | |
16537 <param name="max_minority_bound" value="3"/> | |
16538 <param name="min_rt_overlap" value="0.66"/> | |
16539 <param name="intensity_filter" value="false"/> | |
16540 <param name="negative_mode" value="false"/> | |
16541 <param name="default_map_label" value="decharged features"/> | |
16542 <param name="verbose_level" value="0"/> | |
16543 </section> | |
16544 </section> | |
16545 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_fm_FLAG"/> | |
16546 <output name="ctd_out" ftype="xml"> | |
16547 <assert_contents> | |
16548 <is_valid_xml/> | |
16549 </assert_contents> | |
16550 </output> | |
16551 </test> | |
16552 <test expect_num_outputs="3"> | |
16553 <conditional name="adv_opts_cond"> | |
16554 <param name="adv_opts_selector" value="advanced"/> | |
16555 <param name="force" value="false"/> | |
16556 <param name="test" value="true"/> | |
16557 </conditional> | |
16558 <param name="in" value="MetaboliteAdductDecharger_input.featureXML"/> | |
16559 <output name="out_cm" file="MetaboliteAdductDecharger_2_output_1.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16560 <output name="outpairs" file="MetaboliteAdductDecharger_2_output_2.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16561 <section name="algorithm"> | |
16562 <section name="MetaboliteFeatureDeconvolution"> | |
16563 <param name="charge_min" value="1"/> | |
16564 <param name="charge_max" value="3"/> | |
16565 <param name="charge_span_max" value="3"/> | |
16566 <param name="q_try" value="feature"/> | |
16567 <param name="retention_max_diff" value="1.0"/> | |
16568 <param name="retention_max_diff_local" value="1.0"/> | |
16569 <param name="mass_max_diff" value="0.05"/> | |
16570 <param name="unit" value="Da"/> | |
16571 <param name="potential_adducts" value=""H:+:0.4" "Na:+:0.25" "NH4:+:0.25" "K:+:0.1" "H-2O-1:0:0.05""/> | |
16572 <param name="max_neutrals" value="1"/> | |
16573 <param name="use_minority_bound" value="true"/> | |
16574 <param name="max_minority_bound" value="3"/> | |
16575 <param name="min_rt_overlap" value="0.66"/> | |
16576 <param name="intensity_filter" value="false"/> | |
16577 <param name="negative_mode" value="false"/> | |
16578 <param name="default_map_label" value="decharged features"/> | |
16579 <param name="verbose_level" value="0"/> | |
16580 </section> | |
16581 </section> | |
16582 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_cm_FLAG,outpairs_FLAG"/> | |
16583 <output name="ctd_out" ftype="xml"> | |
16584 <assert_contents> | |
16585 <is_valid_xml/> | |
16586 </assert_contents> | |
16587 </output> | |
16588 </test> | |
16589 </xml> | |
16590 <xml name="autotest_MetaboliteSpectralMatcher"> | |
16591 </xml> | |
16592 <xml name="autotest_MetaProSIP"> | |
16593 <test expect_num_outputs="3"> | |
16594 <conditional name="adv_opts_cond"> | |
16595 <param name="adv_opts_selector" value="advanced"/> | |
16596 <param name="min_correlation_distance_to_averagine" value="-1.0"/> | |
16597 <param name="pattern_15N_TIC_threshold" value="0.95"/> | |
16598 <param name="pattern_13C_TIC_threshold" value="0.95"/> | |
16599 <param name="pattern_2H_TIC_threshold" value="0.95"/> | |
16600 <param name="pattern_18O_TIC_threshold" value="0.95"/> | |
16601 <param name="heatmap_bins" value="20"/> | |
16602 <param name="observed_peak_fraction" value="0.5"/> | |
16603 <param name="min_consecutive_isotopes" value="2"/> | |
16604 <param name="score_plot_yaxis_min" value="0.0"/> | |
16605 <param name="collect_method" value="correlation_maximum"/> | |
16606 <param name="lowRIA_correlation_threshold" value="-1.0"/> | |
16607 <param name="force" value="false"/> | |
16608 <param name="test" value="true"/> | |
16609 </conditional> | |
16610 <param name="in_mzML" value="MetaProSIP_1_input.mzML"/> | |
16611 <param name="in_fasta" value="MetaProSIP_1_input.fasta"/> | |
16612 <output name="out_csv" file="MetaProSIP_1_output_1.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
16613 <output name="out_peptide_centric_csv" file="MetaProSIP_1_output_2.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
16614 <param name="in_featureXML" value="MetaProSIP_1_input.featureXML"/> | |
16615 <param name="mz_tolerance_ppm" value="10.0"/> | |
16616 <param name="rt_tolerance_s" value="30.0"/> | |
16617 <param name="intensity_threshold" value="10.0"/> | |
16618 <param name="correlation_threshold" value="0.7"/> | |
16619 <param name="xic_threshold" value="0.7"/> | |
16620 <param name="decomposition_threshold" value="0.7"/> | |
16621 <param name="weight_merge_window" value="5.0"/> | |
16622 <param name="plot_extension" value="png"/> | |
16623 <param name="qc_output_directory" value=""/> | |
16624 <param name="labeling_element" value="C"/> | |
16625 <param name="use_unassigned_ids" value="false"/> | |
16626 <param name="use_averagine_ids" value="false"/> | |
16627 <param name="report_natural_peptides" value="false"/> | |
16628 <param name="filter_monoisotopic" value="false"/> | |
16629 <param name="cluster" value="false"/> | |
16630 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16631 <output name="ctd_out" ftype="xml"> | |
16632 <assert_contents> | |
16633 <is_valid_xml/> | |
16634 </assert_contents> | |
16635 </output> | |
16636 </test> | |
16637 </xml> | |
16638 <xml name="autotest_MRMMapper"> | |
16639 <test expect_num_outputs="2"> | |
16640 <conditional name="adv_opts_cond"> | |
16641 <param name="adv_opts_selector" value="advanced"/> | |
16642 <param name="force" value="false"/> | |
16643 <param name="test" value="true"/> | |
16644 </conditional> | |
16645 <param name="in" value="MRMMapping_input.chrom.mzML"/> | |
16646 <param name="tr" value="MRMMapping_input.TraML"/> | |
16647 <output name="out" file="MRMMapping_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16648 <section name="algorithm"> | |
16649 <param name="precursor_tolerance" value="0.3"/> | |
16650 <param name="product_tolerance" value="0.3"/> | |
16651 <param name="map_multiple_assays" value="false"/> | |
16652 <param name="error_on_unmapped" value="false"/> | |
16653 </section> | |
16654 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16655 <output name="ctd_out" ftype="xml"> | |
16656 <assert_contents> | |
16657 <is_valid_xml/> | |
16658 </assert_contents> | |
16659 </output> | |
16660 </test> | |
16661 <test expect_num_outputs="2"> | |
16662 <conditional name="adv_opts_cond"> | |
16663 <param name="adv_opts_selector" value="advanced"/> | |
16664 <param name="force" value="false"/> | |
16665 <param name="test" value="true"/> | |
16666 </conditional> | |
16667 <param name="in" value="MRMMapping_input.chrom.mzML"/> | |
16668 <param name="tr" value="MRMMapping_input_2.TraML"/> | |
16669 <output name="out" file="MRMMapping_output_2.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16670 <section name="algorithm"> | |
16671 <param name="precursor_tolerance" value="0.01"/> | |
16672 <param name="product_tolerance" value="0.01"/> | |
16673 <param name="map_multiple_assays" value="false"/> | |
16674 <param name="error_on_unmapped" value="false"/> | |
16675 </section> | |
16676 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16677 <output name="ctd_out" ftype="xml"> | |
16678 <assert_contents> | |
16679 <is_valid_xml/> | |
16680 </assert_contents> | |
16681 </output> | |
16682 </test> | |
16683 </xml> | |
16684 <xml name="autotest_MRMPairFinder"> | |
16685 </xml> | |
16686 <xml name="autotest_MRMTransitionGroupPicker"> | |
16687 <test expect_num_outputs="2"> | |
16688 <conditional name="adv_opts_cond"> | |
16689 <param name="adv_opts_selector" value="advanced"/> | |
16690 <param name="force" value="false"/> | |
16691 <param name="test" value="true"/> | |
16692 </conditional> | |
16693 <param name="in" value="MRMTransitionGroupPicker_1_input.mzML"/> | |
16694 <param name="tr" value="MRMTransitionGroupPicker_1_input.TraML"/> | |
16695 <output name="out" file="MRMTransitionGroupPicker_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
16696 <section name="algorithm"> | |
16697 <param name="stop_after_feature" value="-1"/> | |
16698 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
16699 <param name="min_peak_width" value="-1.0"/> | |
16700 <param name="peak_integration" value="original"/> | |
16701 <param name="background_subtraction" value="none"/> | |
16702 <param name="recalculate_peaks" value="false"/> | |
16703 <param name="use_precursors" value="false"/> | |
16704 <param name="use_consensus" value="true"/> | |
16705 <param name="recalculate_peaks_max_z" value="1.0"/> | |
16706 <param name="minimal_quality" value="-10000.0"/> | |
16707 <param name="resample_boundary" value="15.0"/> | |
16708 <param name="compute_peak_quality" value="false"/> | |
16709 <param name="compute_peak_shape_metrics" value="false"/> | |
16710 <param name="compute_total_mi" value="false"/> | |
16711 <param name="boundary_selection_method" value="largest"/> | |
16712 <section name="PeakPickerMRM"> | |
16713 <param name="sgolay_frame_length" value="15"/> | |
16714 <param name="sgolay_polynomial_order" value="3"/> | |
16715 <param name="gauss_width" value="50.0"/> | |
16716 <param name="use_gauss" value="true"/> | |
16717 <param name="peak_width" value="40.0"/> | |
16718 <param name="signal_to_noise" value="1.0"/> | |
16719 <param name="sn_win_len" value="1000.0"/> | |
16720 <param name="sn_bin_count" value="30"/> | |
16721 <param name="write_sn_log_messages" value="false"/> | |
16722 <param name="remove_overlapping_peaks" value="true"/> | |
16723 <param name="method" value="legacy"/> | |
16724 </section> | |
16725 <section name="PeakIntegrator"> | |
16726 <param name="integration_type" value="intensity_sum"/> | |
16727 <param name="baseline_type" value="base_to_base"/> | |
16728 <param name="fit_EMG" value="false"/> | |
16729 </section> | |
16730 </section> | |
16731 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16732 <output name="ctd_out" ftype="xml"> | |
16733 <assert_contents> | |
16734 <is_valid_xml/> | |
16735 </assert_contents> | |
16736 </output> | |
16737 </test> | |
16738 <test expect_num_outputs="2"> | |
16739 <conditional name="adv_opts_cond"> | |
16740 <param name="adv_opts_selector" value="advanced"/> | |
16741 <param name="force" value="false"/> | |
16742 <param name="test" value="true"/> | |
16743 </conditional> | |
16744 <param name="in" value="MRMTransitionGroupPicker_1_input.mzML"/> | |
16745 <param name="tr" value="MRMTransitionGroupPicker_1_input.TraML"/> | |
16746 <output name="out" file="MRMTransitionGroupPicker_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
16747 <section name="algorithm"> | |
16748 <param name="stop_after_feature" value="-1"/> | |
16749 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
16750 <param name="min_peak_width" value="-1.0"/> | |
16751 <param name="peak_integration" value="original"/> | |
16752 <param name="background_subtraction" value="none"/> | |
16753 <param name="recalculate_peaks" value="false"/> | |
16754 <param name="use_precursors" value="false"/> | |
16755 <param name="use_consensus" value="true"/> | |
16756 <param name="recalculate_peaks_max_z" value="1.0"/> | |
16757 <param name="minimal_quality" value="-10000.0"/> | |
16758 <param name="resample_boundary" value="15.0"/> | |
16759 <param name="compute_peak_quality" value="false"/> | |
16760 <param name="compute_peak_shape_metrics" value="false"/> | |
16761 <param name="compute_total_mi" value="true"/> | |
16762 <param name="boundary_selection_method" value="largest"/> | |
16763 <section name="PeakPickerMRM"> | |
16764 <param name="sgolay_frame_length" value="15"/> | |
16765 <param name="sgolay_polynomial_order" value="3"/> | |
16766 <param name="gauss_width" value="50.0"/> | |
16767 <param name="use_gauss" value="true"/> | |
16768 <param name="peak_width" value="40.0"/> | |
16769 <param name="signal_to_noise" value="1.0"/> | |
16770 <param name="sn_win_len" value="1000.0"/> | |
16771 <param name="sn_bin_count" value="30"/> | |
16772 <param name="write_sn_log_messages" value="false"/> | |
16773 <param name="remove_overlapping_peaks" value="true"/> | |
16774 <param name="method" value="legacy"/> | |
16775 </section> | |
16776 <section name="PeakIntegrator"> | |
16777 <param name="integration_type" value="intensity_sum"/> | |
16778 <param name="baseline_type" value="base_to_base"/> | |
16779 <param name="fit_EMG" value="false"/> | |
16780 </section> | |
16781 </section> | |
16782 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16783 <output name="ctd_out" ftype="xml"> | |
16784 <assert_contents> | |
16785 <is_valid_xml/> | |
16786 </assert_contents> | |
16787 </output> | |
16788 </test> | |
16789 </xml> | |
16790 <xml name="autotest_MSFraggerAdapter"/> | |
16791 <xml name="autotest_MSGFPlusAdapter"> | |
16792 <test expect_num_outputs="3"> | |
16793 <conditional name="adv_opts_cond"> | |
16794 <param name="adv_opts_selector" value="advanced"/> | |
16795 <param name="add_decoys" value="false"/> | |
16796 <param name="legacy_conversion" value="false"/> | |
16797 <param name="force" value="false"/> | |
16798 <param name="test" value="true"/> | |
16799 </conditional> | |
16800 <param name="in" value="spectra.mzML"/> | |
16801 <output name="out" file="MSGFPlusAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16802 <output name="mzid_out" file="MSGFPlusAdapter_1_out2.tmp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
16803 <param name="database" value="proteins.fasta"/> | |
16804 <param name="precursor_mass_tolerance" value="10.0"/> | |
16805 <param name="precursor_error_units" value="ppm"/> | |
16806 <param name="isotope_error_range" value="0,1"/> | |
16807 <param name="fragment_method" value="from_spectrum"/> | |
16808 <param name="instrument" value="high_res"/> | |
16809 <param name="enzyme" value="Trypsin/P"/> | |
16810 <param name="protocol" value="none"/> | |
16811 <param name="tryptic" value="fully"/> | |
16812 <param name="min_precursor_charge" value="1"/> | |
16813 <param name="max_precursor_charge" value="3"/> | |
16814 <param name="min_peptide_length" value="6"/> | |
16815 <param name="max_peptide_length" value="40"/> | |
16816 <param name="matches_per_spec" value="1"/> | |
16817 <param name="add_features" value="false"/> | |
16818 <param name="max_mods" value="2"/> | |
16819 <param name="max_missed_cleavages" value="-1"/> | |
16820 <param name="tasks" value="0"/> | |
16821 <param name="fixed_modifications" value=""/> | |
16822 <param name="variable_modifications" value="Oxidation (M)"/> | |
16823 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,mzid_out_FLAG"/> | |
16824 <output name="ctd_out" ftype="xml"> | |
16825 <assert_contents> | |
16826 <is_valid_xml/> | |
16827 </assert_contents> | |
16828 </output> | |
16829 </test> | |
16830 </xml> | |
16831 <xml name="autotest_MSSimulator"> | |
16832 </xml> | |
16833 <xml name="autotest_MSstatsConverter"> | |
16834 <test expect_num_outputs="2"> | |
16835 <conditional name="adv_opts_cond"> | |
16836 <param name="adv_opts_selector" value="advanced"/> | |
16837 <param name="retention_time_summarization_method" value="max"/> | |
16838 <param name="force" value="false"/> | |
16839 <param name="test" value="true"/> | |
16840 </conditional> | |
16841 <param name="in" value="MSstatsConverter_1_in.consensusXML"/> | |
16842 <param name="in_design" value="MSstatsConverter_1_design.tsv" ftype="tabular"/> | |
16843 <param name="method" value="LFQ"/> | |
16844 <param name="msstats_bioreplicate" value="MSstats_BioReplicate"/> | |
16845 <param name="msstats_condition" value="MSstats_Condition"/> | |
16846 <param name="msstats_mixture" value="MSstats_Mixture"/> | |
16847 <param name="labeled_reference_peptides" value="false"/> | |
16848 <output name="out" file="MSstatsConverter_1_out.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
16849 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16850 <output name="ctd_out" ftype="xml"> | |
16851 <assert_contents> | |
16852 <is_valid_xml/> | |
16853 </assert_contents> | |
16854 </output> | |
16855 </test> | |
16856 <test expect_num_outputs="2"> | |
16857 <conditional name="adv_opts_cond"> | |
16858 <param name="adv_opts_selector" value="advanced"/> | |
16859 <param name="retention_time_summarization_method" value="manual"/> | |
16860 <param name="force" value="false"/> | |
16861 <param name="test" value="true"/> | |
16862 </conditional> | |
16863 <param name="in" value="MSstatsConverter_2_in.consensusXML"/> | |
16864 <param name="in_design" value="MSstatsConverter_2_design.tsv" ftype="tabular"/> | |
16865 <param name="method" value="ISO"/> | |
16866 <param name="msstats_bioreplicate" value="MSstats_BioReplicate"/> | |
16867 <param name="msstats_condition" value="MSstats_Condition"/> | |
16868 <param name="msstats_mixture" value="MSstats_Mixture"/> | |
16869 <param name="labeled_reference_peptides" value="false"/> | |
16870 <output name="out" file="MSstatsConverter_2_out.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
16871 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16872 <output name="ctd_out" ftype="xml"> | |
16873 <assert_contents> | |
16874 <is_valid_xml/> | |
16875 </assert_contents> | |
16876 </output> | |
16877 </test> | |
16878 <test expect_num_outputs="2"> | |
16879 <conditional name="adv_opts_cond"> | |
16880 <param name="adv_opts_selector" value="advanced"/> | |
16881 <param name="retention_time_summarization_method" value="manual"/> | |
16882 <param name="force" value="false"/> | |
16883 <param name="test" value="true"/> | |
16884 </conditional> | |
16885 <param name="in" value="MSstatsConverter_3_in.consensusXML"/> | |
16886 <param name="in_design" value="MSstatsConverter_3_design.tsv" ftype="tabular"/> | |
16887 <param name="method" value="ISO"/> | |
16888 <param name="msstats_bioreplicate" value="MSstats_BioReplicate"/> | |
16889 <param name="msstats_condition" value="MSstats_Condition"/> | |
16890 <param name="msstats_mixture" value="MSstats_Mixture"/> | |
16891 <param name="labeled_reference_peptides" value="false"/> | |
16892 <output name="out" file="MSstatsConverter_3_out.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
16893 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16894 <output name="ctd_out" ftype="xml"> | |
16895 <assert_contents> | |
16896 <is_valid_xml/> | |
16897 </assert_contents> | |
16898 </output> | |
16899 </test> | |
16900 </xml> | |
16901 <xml name="autotest_MultiplexResolver"> | |
16902 <test expect_num_outputs="3"> | |
16903 <conditional name="adv_opts_cond"> | |
16904 <param name="adv_opts_selector" value="advanced"/> | |
16905 <param name="force" value="false"/> | |
16906 <param name="test" value="true"/> | |
16907 </conditional> | |
16908 <param name="in" value="MultiplexResolver_1_input.consensusXML"/> | |
16909 <output name="out" file="MultiplexResolver_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16910 <output name="out_conflicts" file="MultiplexResolver_1_output_conflicts.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16911 <section name="algorithm"> | |
16912 <param name="labels" value="[][Lys4,Arg6][Lys8,Arg10]"/> | |
16913 <param name="missed_cleavages" value="1"/> | |
16914 <param name="mass_tolerance" value="0.1"/> | |
16915 <param name="mz_tolerance" value="10"/> | |
16916 <param name="rt_tolerance" value="5"/> | |
16917 </section> | |
16918 <section name="labels"> | |
16919 <param name="Arg6" value="6.0201290268"/> | |
16920 <param name="Arg10" value="10.0082686"/> | |
16921 <param name="Lys4" value="4.0251069836"/> | |
16922 <param name="Lys6" value="6.0201290268"/> | |
16923 <param name="Lys8" value="8.0141988132"/> | |
16924 <param name="Leu3" value="3.01883"/> | |
16925 <param name="Dimethyl0" value="28.0313"/> | |
16926 <param name="Dimethyl4" value="32.056407"/> | |
16927 <param name="Dimethyl6" value="34.063117"/> | |
16928 <param name="Dimethyl8" value="36.07567"/> | |
16929 <param name="ICPL0" value="105.021464"/> | |
16930 <param name="ICPL4" value="109.046571"/> | |
16931 <param name="ICPL6" value="111.041593"/> | |
16932 <param name="ICPL10" value="115.0667"/> | |
16933 </section> | |
16934 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_conflicts_FLAG"/> | |
16935 <output name="ctd_out" ftype="xml"> | |
16936 <assert_contents> | |
16937 <is_valid_xml/> | |
16938 </assert_contents> | |
16939 </output> | |
16940 </test> | |
16941 <test expect_num_outputs="3"> | |
16942 <conditional name="adv_opts_cond"> | |
16943 <param name="adv_opts_selector" value="advanced"/> | |
16944 <param name="force" value="false"/> | |
16945 <param name="test" value="true"/> | |
16946 </conditional> | |
16947 <param name="in" value="MultiplexResolver_2_input.consensusXML"/> | |
16948 <output name="out" file="MultiplexResolver_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16949 <output name="out_conflicts" file="MultiplexResolver_2_output_conflicts.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16950 <section name="algorithm"> | |
16951 <param name="labels" value="[Dimethyl0][Dimethyl4][Dimethyl8]"/> | |
16952 <param name="missed_cleavages" value="4"/> | |
16953 <param name="mass_tolerance" value="0.1"/> | |
16954 <param name="mz_tolerance" value="10"/> | |
16955 <param name="rt_tolerance" value="5"/> | |
16956 </section> | |
16957 <section name="labels"> | |
16958 <param name="Arg6" value="6.0201290268"/> | |
16959 <param name="Arg10" value="10.0082686"/> | |
16960 <param name="Lys4" value="4.0251069836"/> | |
16961 <param name="Lys6" value="6.0201290268"/> | |
16962 <param name="Lys8" value="8.0141988132"/> | |
16963 <param name="Leu3" value="3.01883"/> | |
16964 <param name="Dimethyl0" value="28.0313"/> | |
16965 <param name="Dimethyl4" value="32.056407"/> | |
16966 <param name="Dimethyl6" value="34.063117"/> | |
16967 <param name="Dimethyl8" value="36.07567"/> | |
16968 <param name="ICPL0" value="105.021464"/> | |
16969 <param name="ICPL4" value="109.046571"/> | |
16970 <param name="ICPL6" value="111.041593"/> | |
16971 <param name="ICPL10" value="115.0667"/> | |
16972 </section> | |
16973 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_conflicts_FLAG"/> | |
16974 <output name="ctd_out" ftype="xml"> | |
16975 <assert_contents> | |
16976 <is_valid_xml/> | |
16977 </assert_contents> | |
16978 </output> | |
16979 </test> | |
16980 <test expect_num_outputs="3"> | |
16981 <conditional name="adv_opts_cond"> | |
16982 <param name="adv_opts_selector" value="advanced"/> | |
16983 <param name="force" value="false"/> | |
16984 <param name="test" value="true"/> | |
16985 </conditional> | |
16986 <param name="in" value="MultiplexResolver_3_input.consensusXML"/> | |
16987 <output name="out" file="MultiplexResolver_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16988 <output name="out_conflicts" file="MultiplexResolver_3_output_conflicts.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16989 <section name="algorithm"> | |
16990 <param name="labels" value="[][Leu3]"/> | |
16991 <param name="missed_cleavages" value="2"/> | |
16992 <param name="mass_tolerance" value="0.1"/> | |
16993 <param name="mz_tolerance" value="10"/> | |
16994 <param name="rt_tolerance" value="5"/> | |
16995 </section> | |
16996 <section name="labels"> | |
16997 <param name="Arg6" value="6.0201290268"/> | |
16998 <param name="Arg10" value="10.0082686"/> | |
16999 <param name="Lys4" value="4.0251069836"/> | |
17000 <param name="Lys6" value="6.0201290268"/> | |
17001 <param name="Lys8" value="8.0141988132"/> | |
17002 <param name="Leu3" value="3.01883"/> | |
17003 <param name="Dimethyl0" value="28.0313"/> | |
17004 <param name="Dimethyl4" value="32.056407"/> | |
17005 <param name="Dimethyl6" value="34.063117"/> | |
17006 <param name="Dimethyl8" value="36.07567"/> | |
17007 <param name="ICPL0" value="105.021464"/> | |
17008 <param name="ICPL4" value="109.046571"/> | |
17009 <param name="ICPL6" value="111.041593"/> | |
17010 <param name="ICPL10" value="115.0667"/> | |
17011 </section> | |
17012 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_conflicts_FLAG"/> | |
17013 <output name="ctd_out" ftype="xml"> | |
17014 <assert_contents> | |
17015 <is_valid_xml/> | |
17016 </assert_contents> | |
17017 </output> | |
17018 </test> | |
17019 <test expect_num_outputs="3"> | |
17020 <conditional name="adv_opts_cond"> | |
17021 <param name="adv_opts_selector" value="advanced"/> | |
17022 <param name="force" value="false"/> | |
17023 <param name="test" value="true"/> | |
17024 </conditional> | |
17025 <param name="in" value="MultiplexResolver_4_input.consensusXML"/> | |
17026 <param name="in_blacklist" value="MultiplexResolver_4_input.mzML"/> | |
17027 <output name="out" file="MultiplexResolver_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
17028 <output name="out_conflicts" file="MultiplexResolver_4_output_conflicts.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
17029 <section name="algorithm"> | |
17030 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> | |
17031 <param name="missed_cleavages" value="3"/> | |
17032 <param name="mass_tolerance" value="0.1"/> | |
17033 <param name="mz_tolerance" value="10"/> | |
17034 <param name="rt_tolerance" value="10"/> | |
17035 </section> | |
17036 <section name="labels"> | |
17037 <param name="Arg6" value="6.0201290268"/> | |
17038 <param name="Arg10" value="10.0082686"/> | |
17039 <param name="Lys4" value="4.0251069836"/> | |
17040 <param name="Lys6" value="6.0201290268"/> | |
17041 <param name="Lys8" value="8.0141988132"/> | |
17042 <param name="Leu3" value="3.01883"/> | |
17043 <param name="Dimethyl0" value="28.0313"/> | |
17044 <param name="Dimethyl4" value="32.056407"/> | |
17045 <param name="Dimethyl6" value="34.063117"/> | |
17046 <param name="Dimethyl8" value="36.07567"/> | |
17047 <param name="ICPL0" value="105.021464"/> | |
17048 <param name="ICPL4" value="109.046571"/> | |
17049 <param name="ICPL6" value="111.041593"/> | |
17050 <param name="ICPL10" value="115.0667"/> | |
17051 </section> | |
17052 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_conflicts_FLAG"/> | |
17053 <output name="ctd_out" ftype="xml"> | |
17054 <assert_contents> | |
17055 <is_valid_xml/> | |
17056 </assert_contents> | |
17057 </output> | |
17058 </test> | |
17059 </xml> | |
17060 <xml name="autotest_MyriMatchAdapter"> | |
17061 <test expect_num_outputs="2"> | |
17062 <conditional name="adv_opts_cond"> | |
17063 <param name="adv_opts_selector" value="advanced"/> | |
17064 <param name="MinPeptideMass" value="0.0"/> | |
17065 <param name="MaxPeptideMass" value="10000.0"/> | |
17066 <param name="MinPeptideLength" value="5"/> | |
17067 <param name="MaxPeptideLength" value="75"/> | |
17068 <param name="UseSmartPlusThreeModel" value="false"/> | |
17069 <param name="NumIntensityClasses" value="3"/> | |
17070 <param name="ClassSizeMultiplier" value="2.0"/> | |
17071 <param name="MonoisotopeAdjustmentSet" value="[-1,2]"/> | |
17072 <param name="SpectrumListFilters" value=""/> | |
17073 <param name="ignoreConfigErrors" value="false"/> | |
17074 <param name="force" value="false"/> | |
17075 <param name="test" value="true"/> | |
17076 </conditional> | |
17077 <param name="in" value="spectra.mzML"/> | |
17078 <output name="out" file="MyriMatchAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
17079 <param name="precursor_mass_tolerance" value="5.0"/> | |
17080 <param name="precursor_mass_tolerance_unit" value="ppm"/> | |
17081 <param name="precursor_mass_tolerance_avg" value="false"/> | |
17082 <param name="fragment_mass_tolerance" value="0.3"/> | |
17083 <param name="fragment_mass_tolerance_unit" value="Da"/> | |
17084 <param name="database" value="proteins.fasta"/> | |
17085 <param name="fixed_modifications" value=""/> | |
17086 <param name="variable_modifications" value="Oxidation (M)"/> | |
17087 <param name="NumChargeStates" value="3"/> | |
17088 <param name="TicCutoffPercentage" value="0.98"/> | |
17089 <param name="MaxDynamicMods" value="2"/> | |
17090 <param name="MaxResultRank" value="5"/> | |
17091 <param name="CleavageRules" value=""/> | |
17092 <param name="MinTerminiCleavages" value="2"/> | |
17093 <param name="MaxMissedCleavages" value="-1"/> | |
17094 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17095 <output name="ctd_out" ftype="xml"> | |
17096 <assert_contents> | |
17097 <is_valid_xml/> | |
17098 </assert_contents> | |
17099 </output> | |
17100 </test> | |
17101 </xml> | |
17102 <xml name="autotest_MzMLSplitter"/> | |
17103 <xml name="autotest_MzTabExporter"> | |
17104 <test expect_num_outputs="2"> | |
17105 <conditional name="adv_opts_cond"> | |
17106 <param name="adv_opts_selector" value="advanced"/> | |
17107 <param name="first_run_inference_only" value="false"/> | |
17108 <param name="force" value="false"/> | |
17109 <param name="test" value="true"/> | |
17110 </conditional> | |
17111 <param name="in" value="MzTabExporter_1_input.consensusXML"/> | |
17112 <output name="out" file="MzTabExporter_1_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
17113 <param name="opt_columns" value="subfeatures"/> | |
17114 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17115 <output name="ctd_out" ftype="xml"> | |
17116 <assert_contents> | |
17117 <is_valid_xml/> | |
17118 </assert_contents> | |
17119 </output> | |
17120 </test> | |
17121 <test expect_num_outputs="2"> | |
17122 <conditional name="adv_opts_cond"> | |
17123 <param name="adv_opts_selector" value="advanced"/> | |
17124 <param name="first_run_inference_only" value="false"/> | |
17125 <param name="force" value="false"/> | |
17126 <param name="test" value="true"/> | |
17127 </conditional> | |
17128 <param name="in" value="MzTabExporter_2_input.idXML"/> | |
17129 <output name="out" file="MzTabExporter_2_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
17130 <param name="opt_columns" value="subfeatures"/> | |
17131 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17132 <output name="ctd_out" ftype="xml"> | |
17133 <assert_contents> | |
17134 <is_valid_xml/> | |
17135 </assert_contents> | |
17136 </output> | |
17137 </test> | |
17138 <test expect_num_outputs="2"> | |
17139 <conditional name="adv_opts_cond"> | |
17140 <param name="adv_opts_selector" value="advanced"/> | |
17141 <param name="first_run_inference_only" value="false"/> | |
17142 <param name="force" value="false"/> | |
17143 <param name="test" value="true"/> | |
17144 </conditional> | |
17145 <param name="in" value="MzTabExporter_3_input.featureXML"/> | |
17146 <output name="out" file="MzTabExporter_3_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
17147 <param name="opt_columns" value="subfeatures"/> | |
17148 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17149 <output name="ctd_out" ftype="xml"> | |
17150 <assert_contents> | |
17151 <is_valid_xml/> | |
17152 </assert_contents> | |
17153 </output> | |
17154 </test> | |
17155 <test expect_num_outputs="2"> | |
17156 <conditional name="adv_opts_cond"> | |
17157 <param name="adv_opts_selector" value="advanced"/> | |
17158 <param name="first_run_inference_only" value="false"/> | |
17159 <param name="force" value="false"/> | |
17160 <param name="test" value="true"/> | |
17161 </conditional> | |
17162 <param name="in" value="Epifany_2_out.consensusXML"/> | |
17163 <output name="out" file="MzTabExporter_4_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
17164 <param name="opt_columns" value="subfeatures"/> | |
17165 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17166 <output name="ctd_out" ftype="xml"> | |
17167 <assert_contents> | |
17168 <is_valid_xml/> | |
17169 </assert_contents> | |
17170 </output> | |
17171 </test> | |
17172 <test expect_num_outputs="2"> | |
17173 <conditional name="adv_opts_cond"> | |
17174 <param name="adv_opts_selector" value="advanced"/> | |
17175 <param name="first_run_inference_only" value="true"/> | |
17176 <param name="force" value="false"/> | |
17177 <param name="test" value="true"/> | |
17178 </conditional> | |
17179 <param name="in" value="MzTabExporter_5_in.consensusXML"/> | |
17180 <output name="out" file="MzTabExporter_5_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
17181 <param name="opt_columns" value="subfeatures"/> | |
17182 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17183 <output name="ctd_out" ftype="xml"> | |
17184 <assert_contents> | |
17185 <is_valid_xml/> | |
17186 </assert_contents> | |
17187 </output> | |
17188 </test> | |
17189 <test expect_num_outputs="2"> | |
17190 <conditional name="adv_opts_cond"> | |
17191 <param name="adv_opts_selector" value="advanced"/> | |
17192 <param name="first_run_inference_only" value="false"/> | |
17193 <param name="force" value="false"/> | |
17194 <param name="test" value="true"/> | |
17195 </conditional> | |
17196 <param name="in" value="MzTabExporter_6_input.idXML"/> | |
17197 <output name="out" file="MzTabExporter_6_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
17198 <param name="opt_columns" value="subfeatures"/> | |
17199 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17200 <output name="ctd_out" ftype="xml"> | |
17201 <assert_contents> | |
17202 <is_valid_xml/> | |
17203 </assert_contents> | |
17204 </output> | |
17205 </test> | |
17206 <test expect_num_outputs="2"> | |
17207 <conditional name="adv_opts_cond"> | |
17208 <param name="adv_opts_selector" value="advanced"/> | |
17209 <param name="first_run_inference_only" value="false"/> | |
17210 <param name="force" value="false"/> | |
17211 <param name="test" value="true"/> | |
17212 </conditional> | |
17213 <param name="in" value="MzTabExporter_7_input.consensusXML"/> | |
17214 <output name="out" file="MzTabExporter_7_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
17215 <param name="opt_columns" value="subfeatures"/> | |
17216 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17217 <output name="ctd_out" ftype="xml"> | |
17218 <assert_contents> | |
17219 <is_valid_xml/> | |
17220 </assert_contents> | |
17221 </output> | |
17222 </test> | |
17223 </xml> | |
17224 <xml name="autotest_NoiseFilterGaussian"> | |
17225 <test expect_num_outputs="2"> | |
17226 <conditional name="adv_opts_cond"> | |
17227 <param name="adv_opts_selector" value="advanced"/> | |
17228 <param name="processOption" value="inmemory"/> | |
17229 <param name="force" value="false"/> | |
17230 <param name="test" value="true"/> | |
17231 </conditional> | |
17232 <param name="in" value="NoiseFilterGaussian_1_input.mzML"/> | |
17233 <output name="out" file="NoiseFilterGaussian_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
17234 <section name="algorithm"> | |
17235 <param name="gaussian_width" value="1.0"/> | |
17236 <param name="ppm_tolerance" value="10.0"/> | |
17237 <param name="use_ppm_tolerance" value="false"/> | |
17238 </section> | |
17239 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17240 <output name="ctd_out" ftype="xml"> | |
17241 <assert_contents> | |
17242 <is_valid_xml/> | |
17243 </assert_contents> | |
17244 </output> | |
17245 </test> | |
17246 <test expect_num_outputs="2"> | |
17247 <conditional name="adv_opts_cond"> | |
17248 <param name="adv_opts_selector" value="advanced"/> | |
17249 <param name="processOption" value="inmemory"/> | |
17250 <param name="force" value="false"/> | |
17251 <param name="test" value="true"/> | |
17252 </conditional> | |
17253 <param name="in" value="NoiseFilterGaussian_2_input.chrom.mzML"/> | |
17254 <output name="out" file="NoiseFilterGaussian_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
17255 <section name="algorithm"> | |
17256 <param name="gaussian_width" value="50.0"/> | |
17257 <param name="ppm_tolerance" value="10.0"/> | |
17258 <param name="use_ppm_tolerance" value="false"/> | |
17259 </section> | |
17260 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17261 <output name="ctd_out" ftype="xml"> | |
17262 <assert_contents> | |
17263 <is_valid_xml/> | |
17264 </assert_contents> | |
17265 </output> | |
17266 </test> | |
17267 <test expect_num_outputs="2"> | |
17268 <conditional name="adv_opts_cond"> | |
17269 <param name="adv_opts_selector" value="advanced"/> | |
17270 <param name="processOption" value="lowmemory"/> | |
17271 <param name="force" value="false"/> | |
17272 <param name="test" value="true"/> | |
17273 </conditional> | |
17274 <param name="in" value="NoiseFilterGaussian_1_input.mzML"/> | |
17275 <output name="out" file="NoiseFilterGaussian_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
17276 <section name="algorithm"> | |
17277 <param name="gaussian_width" value="1.0"/> | |
17278 <param name="ppm_tolerance" value="10.0"/> | |
17279 <param name="use_ppm_tolerance" value="false"/> | |
17280 </section> | |
17281 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17282 <output name="ctd_out" ftype="xml"> | |
17283 <assert_contents> | |
17284 <is_valid_xml/> | |
17285 </assert_contents> | |
17286 </output> | |
17287 </test> | |
17288 <test expect_num_outputs="2"> | |
17289 <conditional name="adv_opts_cond"> | |
17290 <param name="adv_opts_selector" value="advanced"/> | |
17291 <param name="processOption" value="lowmemory"/> | |
17292 <param name="force" value="false"/> | |
17293 <param name="test" value="true"/> | |
17294 </conditional> | |
17295 <param name="in" value="NoiseFilterGaussian_2_input.chrom.mzML"/> | |
17296 <output name="out" file="NoiseFilterGaussian_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
17297 <section name="algorithm"> | |
17298 <param name="gaussian_width" value="50.0"/> | |
17299 <param name="ppm_tolerance" value="10.0"/> | |
17300 <param name="use_ppm_tolerance" value="false"/> | |
17301 </section> | |
17302 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17303 <output name="ctd_out" ftype="xml"> | |
17304 <assert_contents> | |
17305 <is_valid_xml/> | |
17306 </assert_contents> | |
17307 </output> | |
17308 </test> | |
17309 </xml> | |
17310 <xml name="autotest_NoiseFilterSGolay"> | |
17311 <test expect_num_outputs="2"> | |
17312 <conditional name="adv_opts_cond"> | |
17313 <param name="adv_opts_selector" value="advanced"/> | |
17314 <param name="processOption" value="inmemory"/> | |
17315 <param name="force" value="false"/> | |
17316 <param name="test" value="true"/> | |
17317 </conditional> | |
17318 <param name="in" value="NoiseFilterSGolay_1_input.mzML"/> | |
17319 <output name="out" file="NoiseFilterSGolay_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
17320 <section name="algorithm"> | |
17321 <param name="frame_length" value="9"/> | |
17322 <param name="polynomial_order" value="4"/> | |
17323 </section> | |
17324 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17325 <output name="ctd_out" ftype="xml"> | |
17326 <assert_contents> | |
17327 <is_valid_xml/> | |
17328 </assert_contents> | |
17329 </output> | |
17330 </test> | |
17331 <test expect_num_outputs="2"> | |
17332 <conditional name="adv_opts_cond"> | |
17333 <param name="adv_opts_selector" value="advanced"/> | |
17334 <param name="processOption" value="inmemory"/> | |
17335 <param name="force" value="false"/> | |
17336 <param name="test" value="true"/> | |
17337 </conditional> | |
17338 <param name="in" value="NoiseFilterSGolay_2_input.chrom.mzML"/> | |
17339 <output name="out" file="NoiseFilterSGolay_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
17340 <section name="algorithm"> | |
17341 <param name="frame_length" value="11"/> | |
17342 <param name="polynomial_order" value="4"/> | |
17343 </section> | |
17344 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17345 <output name="ctd_out" ftype="xml"> | |
17346 <assert_contents> | |
17347 <is_valid_xml/> | |
17348 </assert_contents> | |
17349 </output> | |
17350 </test> | |
17351 <test expect_num_outputs="2"> | |
17352 <conditional name="adv_opts_cond"> | |
17353 <param name="adv_opts_selector" value="advanced"/> | |
17354 <param name="processOption" value="lowmemory"/> | |
17355 <param name="force" value="false"/> | |
17356 <param name="test" value="true"/> | |
17357 </conditional> | |
17358 <param name="in" value="NoiseFilterSGolay_1_input.mzML"/> | |
17359 <output name="out" file="NoiseFilterSGolay_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
17360 <section name="algorithm"> | |
17361 <param name="frame_length" value="9"/> | |
17362 <param name="polynomial_order" value="4"/> | |
17363 </section> | |
17364 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17365 <output name="ctd_out" ftype="xml"> | |
17366 <assert_contents> | |
17367 <is_valid_xml/> | |
17368 </assert_contents> | |
17369 </output> | |
17370 </test> | |
17371 <test expect_num_outputs="2"> | |
17372 <conditional name="adv_opts_cond"> | |
17373 <param name="adv_opts_selector" value="advanced"/> | |
17374 <param name="processOption" value="lowmemory"/> | |
17375 <param name="force" value="false"/> | |
17376 <param name="test" value="true"/> | |
17377 </conditional> | |
17378 <param name="in" value="NoiseFilterSGolay_2_input.chrom.mzML"/> | |
17379 <output name="out" file="NoiseFilterSGolay_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
17380 <section name="algorithm"> | |
17381 <param name="frame_length" value="11"/> | |
17382 <param name="polynomial_order" value="4"/> | |
17383 </section> | |
17384 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17385 <output name="ctd_out" ftype="xml"> | |
17386 <assert_contents> | |
17387 <is_valid_xml/> | |
17388 </assert_contents> | |
17389 </output> | |
17390 </test> | |
17391 </xml> | |
17392 <xml name="autotest_NovorAdapter"/> | |
17393 <xml name="autotest_NucleicAcidSearchEngine"> | |
17394 <test expect_num_outputs="3"> | |
17395 <conditional name="adv_opts_cond"> | |
17396 <param name="adv_opts_selector" value="advanced"/> | |
17397 <param name="decharge_ms2" value="false"/> | |
17398 <param name="force" value="false"/> | |
17399 <param name="test" value="true"/> | |
17400 </conditional> | |
17401 <param name="in" value="NucleicAcidSearchEngine_1.mzML"/> | |
17402 <param name="database" value="NucleicAcidSearchEngine_1.fasta"/> | |
17403 <output name="out" file="NucleicAcidSearchEngine_12_out.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
17404 <output name="id_out" file="NucleicAcidSearchEngine_11_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
17405 <section name="precursor"> | |
17406 <param name="mass_tolerance" value="5.0"/> | |
17407 <param name="mass_tolerance_unit" value="ppm"/> | |
17408 <param name="min_charge" value="-2"/> | |
17409 <param name="max_charge" value="-14"/> | |
17410 <param name="include_unknown_charge" value="true"/> | |
17411 <param name="use_avg_mass" value="false"/> | |
17412 <param name="use_adducts" value="false"/> | |
17413 <param name="potential_adducts" value=""K:+" "Na:+" "Na2:++" "K2:++" "NaK:++" "K3:+++" "Na3:+++" "NaK2:+++" "Na2K:+++""/> | |
17414 <param name="isotopes" value="0 1 2"/> | |
17415 </section> | |
17416 <section name="fragment"> | |
17417 <param name="mass_tolerance" value="5.0"/> | |
17418 <param name="mass_tolerance_unit" value="ppm"/> | |
17419 <param name="ions" value="a-B,c,w,y"/> | |
17420 </section> | |
17421 <section name="modifications"> | |
17422 <param name="variable" value=""/> | |
17423 <param name="variable_max_per_oligo" value="2"/> | |
17424 <param name="resolve_ambiguities" value="false"/> | |
17425 </section> | |
17426 <section name="oligo"> | |
17427 <param name="min_size" value="5"/> | |
17428 <param name="max_size" value="0"/> | |
17429 <param name="missed_cleavages" value="22"/> | |
17430 <param name="enzyme" value="no cleavage"/> | |
17431 </section> | |
17432 <section name="report"> | |
17433 <param name="top_hits" value="1"/> | |
17434 </section> | |
17435 <section name="fdr"> | |
17436 <param name="decoy_pattern" value="DECOY_"/> | |
17437 <param name="cutoff" value="0.05"/> | |
17438 <param name="remove_decoys" value="true"/> | |
17439 </section> | |
17440 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,id_out_FLAG"/> | |
17441 <output name="ctd_out" ftype="xml"> | |
17442 <assert_contents> | |
17443 <is_valid_xml/> | |
17444 </assert_contents> | |
17445 </output> | |
17446 </test> | |
17447 </xml> | |
17448 <xml name="autotest_OMSSAAdapter"> | |
17449 <test expect_num_outputs="2"> | |
17450 <conditional name="adv_opts_cond"> | |
17451 <param name="adv_opts_selector" value="advanced"/> | |
17452 <param name="pc" value="1"/> | |
17453 <param name="hs" value="4"/> | |
17454 <param name="tez" value="1"/> | |
17455 <param name="tom" value="0"/> | |
17456 <param name="tem" value="0"/> | |
17457 <param name="tex" value="1446.94"/> | |
17458 <param name="zt" value="3"/> | |
17459 <param name="z1" value="0.95"/> | |
17460 <param name="zc" value="1"/> | |
17461 <param name="zcc" value="2"/> | |
17462 <param name="zoh" value="2"/> | |
17463 <param name="no" value="4"/> | |
17464 <param name="nox" value="40"/> | |
17465 <param name="i" value="1,4"/> | |
17466 <param name="sp" value="100"/> | |
17467 <param name="sb1" value="1"/> | |
17468 <param name="sct" value="0"/> | |
17469 <param name="x" value="0"/> | |
17470 <param name="hm" value="2"/> | |
17471 <param name="ht" value="6"/> | |
17472 <param name="mm" value="128"/> | |
17473 <param name="mnm" value="false"/> | |
17474 <param name="is" value="0.0"/> | |
17475 <param name="ir" value="0.0"/> | |
17476 <param name="ii" value="0.0"/> | |
17477 <param name="chunk_size" value="0"/> | |
17478 <param name="force" value="false"/> | |
17479 <param name="test" value="true"/> | |
17480 </conditional> | |
17481 <param name="in" value="spectra.mzML"/> | |
17482 <output name="out" file="OMSSAAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
17483 <param name="precursor_mass_tolerance" value="5.0"/> | |
17484 <param name="precursor_error_units" value="ppm"/> | |
17485 <param name="fragment_mass_tolerance" value="0.3"/> | |
17486 <param name="database" value="proteins.fasta"/> | |
17487 <param name="min_precursor_charge" value="1"/> | |
17488 <param name="max_precursor_charge" value="3"/> | |
17489 <param name="fixed_modifications" value=""/> | |
17490 <param name="variable_modifications" value="Oxidation (M)"/> | |
17491 <param name="v" value="1"/> | |
17492 <param name="enzyme" value="Trypsin"/> | |
17493 <param name="hl" value="30"/> | |
17494 <param name="he" value="1.0"/> | |
17495 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17496 <output name="ctd_out" ftype="xml"> | |
17497 <assert_contents> | |
17498 <is_valid_xml/> | |
17499 </assert_contents> | |
17500 </output> | |
17501 </test> | |
17502 </xml> | |
17503 <xml name="autotest_OpenPepXLLF"> | |
17504 <test expect_num_outputs="5"> | |
17505 <conditional name="adv_opts_cond"> | |
17506 <param name="adv_opts_selector" value="advanced"/> | |
17507 <param name="force" value="false"/> | |
17508 <param name="test" value="true"/> | |
17509 </conditional> | |
17510 <param name="in" value="OpenPepXLLF_input.mzML"/> | |
17511 <param name="database" value="OpenPepXLLF_input.fasta"/> | |
17512 <param name="decoy_string" value="decoy"/> | |
17513 <param name="decoy_prefix" value="true"/> | |
17514 <output name="out_idXML" file="OpenPepXLLF_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
17515 <output name="out_mzIdentML" file="OpenPepXLLF_output.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
17516 <output name="out_xquestxml" file="OpenPepXLLF_output.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
17517 <output name="out_xquest_specxml" file="OpenPepXLLF_output.spec.xml" compare="sim_size" delta="5700" ftype="spec.xml"/> | |
17518 <section name="precursor"> | |
17519 <param name="mass_tolerance" value="10.0"/> | |
17520 <param name="mass_tolerance_unit" value="ppm"/> | |
17521 <param name="min_charge" value="3"/> | |
17522 <param name="max_charge" value="7"/> | |
17523 <param name="corrections" value="2 1 0"/> | |
17524 </section> | |
17525 <section name="fragment"> | |
17526 <param name="mass_tolerance" value="20.0"/> | |
17527 <param name="mass_tolerance_xlinks" value="20.0"/> | |
17528 <param name="mass_tolerance_unit" value="ppm"/> | |
17529 </section> | |
17530 <section name="modifications"> | |
17531 <param name="fixed" value=""/> | |
17532 <param name="variable" value=""/> | |
17533 <param name="variable_max_per_peptide" value="2"/> | |
17534 </section> | |
17535 <section name="peptide"> | |
17536 <param name="min_size" value="5"/> | |
17537 <param name="missed_cleavages" value="2"/> | |
17538 <param name="enzyme" value="Trypsin"/> | |
17539 </section> | |
17540 <section name="cross_linker"> | |
17541 <param name="residue1" value=""K" "N-term""/> | |
17542 <param name="residue2" value=""K" "N-term""/> | |
17543 <param name="mass" value="138.0680796"/> | |
17544 <param name="mass_mono_link" value="156.07864431 155.094628715"/> | |
17545 <param name="name" value="DSS"/> | |
17546 </section> | |
17547 <section name="algorithm"> | |
17548 <param name="number_top_hits" value="5"/> | |
17549 <param name="deisotope" value="auto"/> | |
17550 <param name="use_sequence_tags" value="false"/> | |
17551 <param name="sequence_tag_min_length" value="2"/> | |
17552 </section> | |
17553 <section name="ions"> | |
17554 <param name="b_ions" value="true"/> | |
17555 <param name="y_ions" value="true"/> | |
17556 <param name="a_ions" value="false"/> | |
17557 <param name="x_ions" value="false"/> | |
17558 <param name="c_ions" value="false"/> | |
17559 <param name="z_ions" value="false"/> | |
17560 <param name="neutral_losses" value="true"/> | |
17561 </section> | |
17562 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquestxml_FLAG,out_xquest_specxml_FLAG"/> | |
17563 <output name="ctd_out" ftype="xml"> | |
17564 <assert_contents> | |
17565 <is_valid_xml/> | |
17566 </assert_contents> | |
17567 </output> | |
17568 </test> | |
17569 <test expect_num_outputs="2"> | |
17570 <conditional name="adv_opts_cond"> | |
17571 <param name="adv_opts_selector" value="advanced"/> | |
17572 <param name="force" value="false"/> | |
17573 <param name="test" value="true"/> | |
17574 </conditional> | |
17575 <param name="in" value="OpenPepXLLF_input2.mzML"/> | |
17576 <param name="database" value="OpenPepXLLF_input2.fasta"/> | |
17577 <param name="decoy_string" value="decoy_"/> | |
17578 <param name="decoy_prefix" value="true"/> | |
17579 <output name="out_idXML" file="OpenPepXLLF_output2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
17580 <section name="precursor"> | |
17581 <param name="mass_tolerance" value="10.0"/> | |
17582 <param name="mass_tolerance_unit" value="ppm"/> | |
17583 <param name="min_charge" value="3"/> | |
17584 <param name="max_charge" value="7"/> | |
17585 <param name="corrections" value="1 0"/> | |
17586 </section> | |
17587 <section name="fragment"> | |
17588 <param name="mass_tolerance" value="0.2"/> | |
17589 <param name="mass_tolerance_xlinks" value="0.3"/> | |
17590 <param name="mass_tolerance_unit" value="Da"/> | |
17591 </section> | |
17592 <section name="modifications"> | |
17593 <param name="fixed" value="Carbamidomethyl (C)"/> | |
17594 <param name="variable" value="Oxidation (M)"/> | |
17595 <param name="variable_max_per_peptide" value="1"/> | |
17596 </section> | |
17597 <section name="peptide"> | |
17598 <param name="min_size" value="5"/> | |
17599 <param name="missed_cleavages" value="1"/> | |
17600 <param name="enzyme" value="Trypsin"/> | |
17601 </section> | |
17602 <section name="cross_linker"> | |
17603 <param name="residue1" value=""D" "E" "C-term""/> | |
17604 <param name="residue2" value=""K" "S" "T" "Y" "N-term""/> | |
17605 <param name="mass" value="-18.010595"/> | |
17606 <param name="mass_mono_link" value=""/> | |
17607 <param name="name" value="DMTMM"/> | |
17608 </section> | |
17609 <section name="algorithm"> | |
17610 <param name="number_top_hits" value="1"/> | |
17611 <param name="deisotope" value="auto"/> | |
17612 <param name="use_sequence_tags" value="false"/> | |
17613 <param name="sequence_tag_min_length" value="2"/> | |
17614 </section> | |
17615 <section name="ions"> | |
17616 <param name="b_ions" value="true"/> | |
17617 <param name="y_ions" value="true"/> | |
17618 <param name="a_ions" value="false"/> | |
17619 <param name="x_ions" value="false"/> | |
17620 <param name="c_ions" value="false"/> | |
17621 <param name="z_ions" value="false"/> | |
17622 <param name="neutral_losses" value="true"/> | |
17623 </section> | |
17624 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG"/> | |
17625 <output name="ctd_out" ftype="xml"> | |
17626 <assert_contents> | |
17627 <is_valid_xml/> | |
17628 </assert_contents> | |
17629 </output> | |
17630 </test> | |
17631 </xml> | |
17632 <xml name="autotest_OpenPepXL"> | |
17633 <test expect_num_outputs="5"> | |
17634 <conditional name="adv_opts_cond"> | |
17635 <param name="adv_opts_selector" value="advanced"/> | |
17636 <param name="force" value="false"/> | |
17637 <param name="test" value="true"/> | |
17638 </conditional> | |
17639 <param name="in" value="OpenPepXL_input.mzML"/> | |
17640 <param name="consensus" value="OpenPepXL_input.consensusXML"/> | |
17641 <param name="database" value="OpenPepXL_input.fasta"/> | |
17642 <param name="decoy_string" value="decoy"/> | |
17643 <param name="decoy_prefix" value="true"/> | |
17644 <output name="out_idXML" file="OpenPepXL_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
17645 <output name="out_mzIdentML" file="OpenPepXL_output.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
17646 <output name="out_xquestxml" file="OpenPepXL_output.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
17647 <output name="out_xquest_specxml" file="OpenPepXL_output.spec.xml" compare="sim_size" delta="5700" ftype="spec.xml"/> | |
17648 <section name="precursor"> | |
17649 <param name="mass_tolerance" value="10.0"/> | |
17650 <param name="mass_tolerance_unit" value="ppm"/> | |
17651 <param name="min_charge" value="3"/> | |
17652 <param name="max_charge" value="7"/> | |
17653 <param name="corrections" value="2 1 0"/> | |
17654 </section> | |
17655 <section name="fragment"> | |
17656 <param name="mass_tolerance" value="0.2"/> | |
17657 <param name="mass_tolerance_xlinks" value="0.3"/> | |
17658 <param name="mass_tolerance_unit" value="Da"/> | |
17659 </section> | |
17660 <section name="modifications"> | |
17661 <param name="fixed" value=""/> | |
17662 <param name="variable" value=""/> | |
17663 <param name="variable_max_per_peptide" value="2"/> | |
17664 </section> | |
17665 <section name="peptide"> | |
17666 <param name="min_size" value="5"/> | |
17667 <param name="missed_cleavages" value="2"/> | |
17668 <param name="enzyme" value="Trypsin"/> | |
17669 </section> | |
17670 <section name="cross_linker"> | |
17671 <param name="residue1" value=""K" "N-term""/> | |
17672 <param name="residue2" value=""K" "N-term""/> | |
17673 <param name="mass_light" value="138.0680796"/> | |
17674 <param name="mass_iso_shift" value="12.075321"/> | |
17675 <param name="mass_mono_link" value="156.07864431 155.094628715"/> | |
17676 <param name="name" value="DSS"/> | |
17677 </section> | |
17678 <section name="algorithm"> | |
17679 <param name="number_top_hits" value="5"/> | |
17680 <param name="deisotope" value="auto"/> | |
17681 </section> | |
17682 <section name="ions"> | |
17683 <param name="b_ions" value="true"/> | |
17684 <param name="y_ions" value="true"/> | |
17685 <param name="a_ions" value="false"/> | |
17686 <param name="x_ions" value="false"/> | |
17687 <param name="c_ions" value="false"/> | |
17688 <param name="z_ions" value="false"/> | |
17689 <param name="neutral_losses" value="true"/> | |
17690 </section> | |
17691 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquestxml_FLAG,out_xquest_specxml_FLAG"/> | |
17692 <output name="ctd_out" ftype="xml"> | |
17693 <assert_contents> | |
17694 <is_valid_xml/> | |
17695 </assert_contents> | |
17696 </output> | |
17697 </test> | |
17698 </xml> | |
17699 <xml name="autotest_OpenSwathAnalyzer"> | |
17700 <test expect_num_outputs="2"> | |
17701 <conditional name="adv_opts_cond"> | |
17702 <param name="adv_opts_selector" value="advanced"/> | |
17703 <param name="force" value="false"/> | |
17704 <param name="test" value="true"/> | |
17705 </conditional> | |
17706 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17707 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
17708 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
17709 <output name="out" file="OpenSwathAnalyzer_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17710 <param name="no_strict" value="false"/> | |
17711 <param name="min_upper_edge_dist" value="0.0"/> | |
17712 <section name="model"> | |
17713 <param name="type" value="linear"/> | |
17714 <param name="symmetric_regression" value="false"/> | |
17715 </section> | |
17716 <section name="algorithm"> | |
17717 <param name="stop_report_after_feature" value="-1"/> | |
17718 <param name="rt_extraction_window" value="-1.0"/> | |
17719 <param name="rt_normalization_factor" value="1.0"/> | |
17720 <param name="quantification_cutoff" value="0.0"/> | |
17721 <param name="write_convex_hull" value="false"/> | |
17722 <param name="spectrum_addition_method" value="simple"/> | |
17723 <param name="add_up_spectra" value="1"/> | |
17724 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17725 <param name="uis_threshold_sn" value="-1"/> | |
17726 <param name="uis_threshold_peak_area" value="0"/> | |
17727 <param name="scoring_model" value="default"/> | |
17728 <param name="im_extra_drift" value="0.0"/> | |
17729 <param name="strict" value="true"/> | |
17730 <section name="TransitionGroupPicker"> | |
17731 <param name="stop_after_feature" value="-1"/> | |
17732 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17733 <param name="min_peak_width" value="-1.0"/> | |
17734 <param name="peak_integration" value="original"/> | |
17735 <param name="background_subtraction" value="none"/> | |
17736 <param name="recalculate_peaks" value="false"/> | |
17737 <param name="use_precursors" value="false"/> | |
17738 <param name="use_consensus" value="true"/> | |
17739 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17740 <param name="minimal_quality" value="-10000.0"/> | |
17741 <param name="resample_boundary" value="15.0"/> | |
17742 <param name="compute_peak_quality" value="false"/> | |
17743 <param name="compute_peak_shape_metrics" value="false"/> | |
17744 <param name="compute_total_mi" value="false"/> | |
17745 <param name="boundary_selection_method" value="largest"/> | |
17746 <section name="PeakPickerMRM"> | |
17747 <param name="sgolay_frame_length" value="15"/> | |
17748 <param name="sgolay_polynomial_order" value="3"/> | |
17749 <param name="gauss_width" value="50.0"/> | |
17750 <param name="use_gauss" value="true"/> | |
17751 <param name="peak_width" value="40.0"/> | |
17752 <param name="signal_to_noise" value="1.0"/> | |
17753 <param name="sn_win_len" value="1000.0"/> | |
17754 <param name="sn_bin_count" value="30"/> | |
17755 <param name="write_sn_log_messages" value="false"/> | |
17756 <param name="remove_overlapping_peaks" value="false"/> | |
17757 <param name="method" value="legacy"/> | |
17758 </section> | |
17759 <section name="PeakIntegrator"> | |
17760 <param name="integration_type" value="intensity_sum"/> | |
17761 <param name="baseline_type" value="base_to_base"/> | |
17762 <param name="fit_EMG" value="false"/> | |
17763 </section> | |
17764 </section> | |
17765 <section name="DIAScoring"> | |
17766 <param name="dia_extraction_window" value="0.05"/> | |
17767 <param name="dia_extraction_unit" value="Th"/> | |
17768 <param name="dia_centroided" value="false"/> | |
17769 <param name="dia_byseries_intensity_min" value="300.0"/> | |
17770 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
17771 <param name="dia_nr_isotopes" value="4"/> | |
17772 <param name="dia_nr_charges" value="4"/> | |
17773 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17774 </section> | |
17775 <section name="EMGScoring"> | |
17776 <param name="interpolation_step" value="0.2"/> | |
17777 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17778 <param name="max_iteration" value="500"/> | |
17779 <section name="statistics"> | |
17780 <param name="mean" value="1.0"/> | |
17781 <param name="variance" value="1.0"/> | |
17782 </section> | |
17783 </section> | |
17784 <section name="Scores"> | |
17785 <param name="use_shape_score" value="true"/> | |
17786 <param name="use_coelution_score" value="true"/> | |
17787 <param name="use_rt_score" value="true"/> | |
17788 <param name="use_library_score" value="true"/> | |
17789 <param name="use_elution_model_score" value="true"/> | |
17790 <param name="use_intensity_score" value="true"/> | |
17791 <param name="use_nr_peaks_score" value="true"/> | |
17792 <param name="use_total_xic_score" value="true"/> | |
17793 <param name="use_total_mi_score" value="false"/> | |
17794 <param name="use_sn_score" value="true"/> | |
17795 <param name="use_mi_score" value="false"/> | |
17796 <param name="use_dia_scores" value="true"/> | |
17797 <param name="use_ms1_correlation" value="false"/> | |
17798 <param name="use_sonar_scores" value="false"/> | |
17799 <param name="use_ion_mobility_scores" value="false"/> | |
17800 <param name="use_ms1_fullscan" value="false"/> | |
17801 <param name="use_ms1_mi" value="false"/> | |
17802 <param name="use_uis_scores" value="false"/> | |
17803 </section> | |
17804 </section> | |
17805 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17806 <output name="ctd_out" ftype="xml"> | |
17807 <assert_contents> | |
17808 <is_valid_xml/> | |
17809 </assert_contents> | |
17810 </output> | |
17811 </test> | |
17812 <test expect_num_outputs="2"> | |
17813 <conditional name="adv_opts_cond"> | |
17814 <param name="adv_opts_selector" value="advanced"/> | |
17815 <param name="force" value="false"/> | |
17816 <param name="test" value="true"/> | |
17817 </conditional> | |
17818 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17819 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
17820 <output name="out" file="OpenSwathAnalyzer_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17821 <param name="no_strict" value="false"/> | |
17822 <param name="swath_files" value="OpenSwathAnalyzer_2_swathfile.mzML"/> | |
17823 <param name="min_upper_edge_dist" value="0.0"/> | |
17824 <section name="model"> | |
17825 <param name="type" value="linear"/> | |
17826 <param name="symmetric_regression" value="false"/> | |
17827 </section> | |
17828 <section name="algorithm"> | |
17829 <param name="stop_report_after_feature" value="-1"/> | |
17830 <param name="rt_extraction_window" value="-1.0"/> | |
17831 <param name="rt_normalization_factor" value="1.0"/> | |
17832 <param name="quantification_cutoff" value="0.0"/> | |
17833 <param name="write_convex_hull" value="false"/> | |
17834 <param name="spectrum_addition_method" value="simple"/> | |
17835 <param name="add_up_spectra" value="1"/> | |
17836 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17837 <param name="uis_threshold_sn" value="-1"/> | |
17838 <param name="uis_threshold_peak_area" value="0"/> | |
17839 <param name="scoring_model" value="default"/> | |
17840 <param name="im_extra_drift" value="0.0"/> | |
17841 <param name="strict" value="true"/> | |
17842 <section name="TransitionGroupPicker"> | |
17843 <param name="stop_after_feature" value="-1"/> | |
17844 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17845 <param name="min_peak_width" value="-1.0"/> | |
17846 <param name="peak_integration" value="original"/> | |
17847 <param name="background_subtraction" value="none"/> | |
17848 <param name="recalculate_peaks" value="false"/> | |
17849 <param name="use_precursors" value="false"/> | |
17850 <param name="use_consensus" value="true"/> | |
17851 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17852 <param name="minimal_quality" value="-10000.0"/> | |
17853 <param name="resample_boundary" value="15.0"/> | |
17854 <param name="compute_peak_quality" value="false"/> | |
17855 <param name="compute_peak_shape_metrics" value="false"/> | |
17856 <param name="compute_total_mi" value="false"/> | |
17857 <param name="boundary_selection_method" value="largest"/> | |
17858 <section name="PeakPickerMRM"> | |
17859 <param name="sgolay_frame_length" value="15"/> | |
17860 <param name="sgolay_polynomial_order" value="3"/> | |
17861 <param name="gauss_width" value="50.0"/> | |
17862 <param name="use_gauss" value="true"/> | |
17863 <param name="peak_width" value="40.0"/> | |
17864 <param name="signal_to_noise" value="1.0"/> | |
17865 <param name="sn_win_len" value="1000.0"/> | |
17866 <param name="sn_bin_count" value="30"/> | |
17867 <param name="write_sn_log_messages" value="false"/> | |
17868 <param name="remove_overlapping_peaks" value="false"/> | |
17869 <param name="method" value="legacy"/> | |
17870 </section> | |
17871 <section name="PeakIntegrator"> | |
17872 <param name="integration_type" value="intensity_sum"/> | |
17873 <param name="baseline_type" value="base_to_base"/> | |
17874 <param name="fit_EMG" value="false"/> | |
17875 </section> | |
17876 </section> | |
17877 <section name="DIAScoring"> | |
17878 <param name="dia_extraction_window" value="0.05"/> | |
17879 <param name="dia_extraction_unit" value="Th"/> | |
17880 <param name="dia_centroided" value="false"/> | |
17881 <param name="dia_byseries_intensity_min" value="300.0"/> | |
17882 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
17883 <param name="dia_nr_isotopes" value="4"/> | |
17884 <param name="dia_nr_charges" value="4"/> | |
17885 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17886 </section> | |
17887 <section name="EMGScoring"> | |
17888 <param name="interpolation_step" value="0.2"/> | |
17889 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17890 <param name="max_iteration" value="500"/> | |
17891 <section name="statistics"> | |
17892 <param name="mean" value="1.0"/> | |
17893 <param name="variance" value="1.0"/> | |
17894 </section> | |
17895 </section> | |
17896 <section name="Scores"> | |
17897 <param name="use_shape_score" value="true"/> | |
17898 <param name="use_coelution_score" value="true"/> | |
17899 <param name="use_rt_score" value="true"/> | |
17900 <param name="use_library_score" value="true"/> | |
17901 <param name="use_elution_model_score" value="true"/> | |
17902 <param name="use_intensity_score" value="true"/> | |
17903 <param name="use_nr_peaks_score" value="true"/> | |
17904 <param name="use_total_xic_score" value="true"/> | |
17905 <param name="use_total_mi_score" value="false"/> | |
17906 <param name="use_sn_score" value="true"/> | |
17907 <param name="use_mi_score" value="false"/> | |
17908 <param name="use_dia_scores" value="true"/> | |
17909 <param name="use_ms1_correlation" value="false"/> | |
17910 <param name="use_sonar_scores" value="false"/> | |
17911 <param name="use_ion_mobility_scores" value="false"/> | |
17912 <param name="use_ms1_fullscan" value="false"/> | |
17913 <param name="use_ms1_mi" value="false"/> | |
17914 <param name="use_uis_scores" value="false"/> | |
17915 </section> | |
17916 </section> | |
17917 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17918 <output name="ctd_out" ftype="xml"> | |
17919 <assert_contents> | |
17920 <is_valid_xml/> | |
17921 </assert_contents> | |
17922 </output> | |
17923 </test> | |
17924 <test expect_num_outputs="2"> | |
17925 <conditional name="adv_opts_cond"> | |
17926 <param name="adv_opts_selector" value="advanced"/> | |
17927 <param name="force" value="false"/> | |
17928 <param name="test" value="true"/> | |
17929 </conditional> | |
17930 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17931 <param name="tr" value="OpenSwathAnalyzer_mod_input.TraML"/> | |
17932 <output name="out" file="OpenSwathAnalyzer_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17933 <param name="no_strict" value="false"/> | |
17934 <param name="swath_files" value="OpenSwathAnalyzer_2_swathfile.mzML"/> | |
17935 <param name="min_upper_edge_dist" value="0.0"/> | |
17936 <section name="model"> | |
17937 <param name="type" value="linear"/> | |
17938 <param name="symmetric_regression" value="false"/> | |
17939 </section> | |
17940 <section name="algorithm"> | |
17941 <param name="stop_report_after_feature" value="-1"/> | |
17942 <param name="rt_extraction_window" value="-1.0"/> | |
17943 <param name="rt_normalization_factor" value="1.0"/> | |
17944 <param name="quantification_cutoff" value="0.0"/> | |
17945 <param name="write_convex_hull" value="false"/> | |
17946 <param name="spectrum_addition_method" value="simple"/> | |
17947 <param name="add_up_spectra" value="1"/> | |
17948 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17949 <param name="uis_threshold_sn" value="-1"/> | |
17950 <param name="uis_threshold_peak_area" value="0"/> | |
17951 <param name="scoring_model" value="default"/> | |
17952 <param name="im_extra_drift" value="0.0"/> | |
17953 <param name="strict" value="true"/> | |
17954 <section name="TransitionGroupPicker"> | |
17955 <param name="stop_after_feature" value="-1"/> | |
17956 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17957 <param name="min_peak_width" value="-1.0"/> | |
17958 <param name="peak_integration" value="original"/> | |
17959 <param name="background_subtraction" value="none"/> | |
17960 <param name="recalculate_peaks" value="false"/> | |
17961 <param name="use_precursors" value="false"/> | |
17962 <param name="use_consensus" value="true"/> | |
17963 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17964 <param name="minimal_quality" value="-10000.0"/> | |
17965 <param name="resample_boundary" value="15.0"/> | |
17966 <param name="compute_peak_quality" value="false"/> | |
17967 <param name="compute_peak_shape_metrics" value="false"/> | |
17968 <param name="compute_total_mi" value="false"/> | |
17969 <param name="boundary_selection_method" value="largest"/> | |
17970 <section name="PeakPickerMRM"> | |
17971 <param name="sgolay_frame_length" value="15"/> | |
17972 <param name="sgolay_polynomial_order" value="3"/> | |
17973 <param name="gauss_width" value="50.0"/> | |
17974 <param name="use_gauss" value="true"/> | |
17975 <param name="peak_width" value="40.0"/> | |
17976 <param name="signal_to_noise" value="1.0"/> | |
17977 <param name="sn_win_len" value="1000.0"/> | |
17978 <param name="sn_bin_count" value="30"/> | |
17979 <param name="write_sn_log_messages" value="true"/> | |
17980 <param name="remove_overlapping_peaks" value="false"/> | |
17981 <param name="method" value="legacy"/> | |
17982 </section> | |
17983 <section name="PeakIntegrator"> | |
17984 <param name="integration_type" value="intensity_sum"/> | |
17985 <param name="baseline_type" value="base_to_base"/> | |
17986 <param name="fit_EMG" value="false"/> | |
17987 </section> | |
17988 </section> | |
17989 <section name="DIAScoring"> | |
17990 <param name="dia_extraction_window" value="0.05"/> | |
17991 <param name="dia_extraction_unit" value="Th"/> | |
17992 <param name="dia_centroided" value="false"/> | |
17993 <param name="dia_byseries_intensity_min" value="8.0"/> | |
17994 <param name="dia_byseries_ppm_diff" value="15.0"/> | |
17995 <param name="dia_nr_isotopes" value="4"/> | |
17996 <param name="dia_nr_charges" value="4"/> | |
17997 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17998 </section> | |
17999 <section name="EMGScoring"> | |
18000 <param name="interpolation_step" value="0.2"/> | |
18001 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18002 <param name="max_iteration" value="500"/> | |
18003 <section name="statistics"> | |
18004 <param name="mean" value="1.0"/> | |
18005 <param name="variance" value="1.0"/> | |
18006 </section> | |
18007 </section> | |
18008 <section name="Scores"> | |
18009 <param name="use_shape_score" value="true"/> | |
18010 <param name="use_coelution_score" value="true"/> | |
18011 <param name="use_rt_score" value="true"/> | |
18012 <param name="use_library_score" value="true"/> | |
18013 <param name="use_elution_model_score" value="true"/> | |
18014 <param name="use_intensity_score" value="true"/> | |
18015 <param name="use_nr_peaks_score" value="true"/> | |
18016 <param name="use_total_xic_score" value="true"/> | |
18017 <param name="use_total_mi_score" value="false"/> | |
18018 <param name="use_sn_score" value="true"/> | |
18019 <param name="use_mi_score" value="false"/> | |
18020 <param name="use_dia_scores" value="true"/> | |
18021 <param name="use_ms1_correlation" value="false"/> | |
18022 <param name="use_sonar_scores" value="false"/> | |
18023 <param name="use_ion_mobility_scores" value="false"/> | |
18024 <param name="use_ms1_fullscan" value="false"/> | |
18025 <param name="use_ms1_mi" value="false"/> | |
18026 <param name="use_uis_scores" value="false"/> | |
18027 </section> | |
18028 </section> | |
18029 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18030 <output name="ctd_out" ftype="xml"> | |
18031 <assert_contents> | |
18032 <is_valid_xml/> | |
18033 </assert_contents> | |
18034 </output> | |
18035 </test> | |
18036 <test expect_num_outputs="2"> | |
18037 <conditional name="adv_opts_cond"> | |
18038 <param name="adv_opts_selector" value="advanced"/> | |
18039 <param name="force" value="false"/> | |
18040 <param name="test" value="true"/> | |
18041 </conditional> | |
18042 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
18043 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
18044 <output name="out" file="OpenSwathAnalyzer_6_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
18045 <param name="no_strict" value="false"/> | |
18046 <param name="swath_files" value="OpenSwathAnalyzer_2_swathfile.mzML"/> | |
18047 <param name="min_upper_edge_dist" value="0.0"/> | |
18048 <section name="model"> | |
18049 <param name="type" value="linear"/> | |
18050 <param name="symmetric_regression" value="false"/> | |
18051 </section> | |
18052 <section name="algorithm"> | |
18053 <param name="stop_report_after_feature" value="-1"/> | |
18054 <param name="rt_extraction_window" value="-1.0"/> | |
18055 <param name="rt_normalization_factor" value="1.0"/> | |
18056 <param name="quantification_cutoff" value="0.0"/> | |
18057 <param name="write_convex_hull" value="false"/> | |
18058 <param name="spectrum_addition_method" value="simple"/> | |
18059 <param name="add_up_spectra" value="1"/> | |
18060 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
18061 <param name="uis_threshold_sn" value="-1"/> | |
18062 <param name="uis_threshold_peak_area" value="0"/> | |
18063 <param name="scoring_model" value="default"/> | |
18064 <param name="im_extra_drift" value="0.0"/> | |
18065 <param name="strict" value="true"/> | |
18066 <section name="TransitionGroupPicker"> | |
18067 <param name="stop_after_feature" value="-1"/> | |
18068 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
18069 <param name="min_peak_width" value="-1.0"/> | |
18070 <param name="peak_integration" value="original"/> | |
18071 <param name="background_subtraction" value="none"/> | |
18072 <param name="recalculate_peaks" value="false"/> | |
18073 <param name="use_precursors" value="false"/> | |
18074 <param name="use_consensus" value="true"/> | |
18075 <param name="recalculate_peaks_max_z" value="1.0"/> | |
18076 <param name="minimal_quality" value="-10000.0"/> | |
18077 <param name="resample_boundary" value="15.0"/> | |
18078 <param name="compute_peak_quality" value="false"/> | |
18079 <param name="compute_peak_shape_metrics" value="false"/> | |
18080 <param name="compute_total_mi" value="false"/> | |
18081 <param name="boundary_selection_method" value="largest"/> | |
18082 <section name="PeakPickerMRM"> | |
18083 <param name="sgolay_frame_length" value="15"/> | |
18084 <param name="sgolay_polynomial_order" value="3"/> | |
18085 <param name="gauss_width" value="50.0"/> | |
18086 <param name="use_gauss" value="true"/> | |
18087 <param name="peak_width" value="40.0"/> | |
18088 <param name="signal_to_noise" value="1.0"/> | |
18089 <param name="sn_win_len" value="1000.0"/> | |
18090 <param name="sn_bin_count" value="30"/> | |
18091 <param name="write_sn_log_messages" value="true"/> | |
18092 <param name="remove_overlapping_peaks" value="false"/> | |
18093 <param name="method" value="legacy"/> | |
18094 </section> | |
18095 <section name="PeakIntegrator"> | |
18096 <param name="integration_type" value="intensity_sum"/> | |
18097 <param name="baseline_type" value="base_to_base"/> | |
18098 <param name="fit_EMG" value="false"/> | |
18099 </section> | |
18100 </section> | |
18101 <section name="DIAScoring"> | |
18102 <param name="dia_extraction_window" value="0.05"/> | |
18103 <param name="dia_extraction_unit" value="Th"/> | |
18104 <param name="dia_centroided" value="false"/> | |
18105 <param name="dia_byseries_intensity_min" value="8.0"/> | |
18106 <param name="dia_byseries_ppm_diff" value="15.0"/> | |
18107 <param name="dia_nr_isotopes" value="4"/> | |
18108 <param name="dia_nr_charges" value="4"/> | |
18109 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
18110 </section> | |
18111 <section name="EMGScoring"> | |
18112 <param name="interpolation_step" value="0.2"/> | |
18113 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18114 <param name="max_iteration" value="500"/> | |
18115 <section name="statistics"> | |
18116 <param name="mean" value="1.0"/> | |
18117 <param name="variance" value="1.0"/> | |
18118 </section> | |
18119 </section> | |
18120 <section name="Scores"> | |
18121 <param name="use_shape_score" value="true"/> | |
18122 <param name="use_coelution_score" value="true"/> | |
18123 <param name="use_rt_score" value="true"/> | |
18124 <param name="use_library_score" value="true"/> | |
18125 <param name="use_elution_model_score" value="true"/> | |
18126 <param name="use_intensity_score" value="true"/> | |
18127 <param name="use_nr_peaks_score" value="true"/> | |
18128 <param name="use_total_xic_score" value="true"/> | |
18129 <param name="use_total_mi_score" value="false"/> | |
18130 <param name="use_sn_score" value="true"/> | |
18131 <param name="use_mi_score" value="false"/> | |
18132 <param name="use_dia_scores" value="true"/> | |
18133 <param name="use_ms1_correlation" value="false"/> | |
18134 <param name="use_sonar_scores" value="false"/> | |
18135 <param name="use_ion_mobility_scores" value="false"/> | |
18136 <param name="use_ms1_fullscan" value="false"/> | |
18137 <param name="use_ms1_mi" value="false"/> | |
18138 <param name="use_uis_scores" value="false"/> | |
18139 </section> | |
18140 </section> | |
18141 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18142 <output name="ctd_out" ftype="xml"> | |
18143 <assert_contents> | |
18144 <is_valid_xml/> | |
18145 </assert_contents> | |
18146 </output> | |
18147 </test> | |
18148 <test expect_num_outputs="2"> | |
18149 <conditional name="adv_opts_cond"> | |
18150 <param name="adv_opts_selector" value="advanced"/> | |
18151 <param name="force" value="false"/> | |
18152 <param name="test" value="true"/> | |
18153 </conditional> | |
18154 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
18155 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
18156 <output name="out" file="OpenSwathAnalyzer_7_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
18157 <param name="no_strict" value="false"/> | |
18158 <param name="min_upper_edge_dist" value="0.0"/> | |
18159 <section name="model"> | |
18160 <param name="type" value="linear"/> | |
18161 <param name="symmetric_regression" value="false"/> | |
18162 </section> | |
18163 <section name="algorithm"> | |
18164 <param name="stop_report_after_feature" value="-1"/> | |
18165 <param name="rt_extraction_window" value="-1.0"/> | |
18166 <param name="rt_normalization_factor" value="1.0"/> | |
18167 <param name="quantification_cutoff" value="0.0"/> | |
18168 <param name="write_convex_hull" value="false"/> | |
18169 <param name="spectrum_addition_method" value="simple"/> | |
18170 <param name="add_up_spectra" value="1"/> | |
18171 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
18172 <param name="uis_threshold_sn" value="-1"/> | |
18173 <param name="uis_threshold_peak_area" value="0"/> | |
18174 <param name="scoring_model" value="default"/> | |
18175 <param name="im_extra_drift" value="0.0"/> | |
18176 <param name="strict" value="true"/> | |
18177 <section name="TransitionGroupPicker"> | |
18178 <param name="stop_after_feature" value="-1"/> | |
18179 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
18180 <param name="min_peak_width" value="-1.0"/> | |
18181 <param name="peak_integration" value="original"/> | |
18182 <param name="background_subtraction" value="original"/> | |
18183 <param name="recalculate_peaks" value="false"/> | |
18184 <param name="use_precursors" value="false"/> | |
18185 <param name="use_consensus" value="true"/> | |
18186 <param name="recalculate_peaks_max_z" value="1.0"/> | |
18187 <param name="minimal_quality" value="-10000.0"/> | |
18188 <param name="resample_boundary" value="15.0"/> | |
18189 <param name="compute_peak_quality" value="false"/> | |
18190 <param name="compute_peak_shape_metrics" value="false"/> | |
18191 <param name="compute_total_mi" value="false"/> | |
18192 <param name="boundary_selection_method" value="largest"/> | |
18193 <section name="PeakPickerMRM"> | |
18194 <param name="sgolay_frame_length" value="15"/> | |
18195 <param name="sgolay_polynomial_order" value="3"/> | |
18196 <param name="gauss_width" value="50.0"/> | |
18197 <param name="use_gauss" value="true"/> | |
18198 <param name="peak_width" value="40.0"/> | |
18199 <param name="signal_to_noise" value="1.0"/> | |
18200 <param name="sn_win_len" value="1000.0"/> | |
18201 <param name="sn_bin_count" value="30"/> | |
18202 <param name="write_sn_log_messages" value="true"/> | |
18203 <param name="remove_overlapping_peaks" value="false"/> | |
18204 <param name="method" value="legacy"/> | |
18205 </section> | |
18206 <section name="PeakIntegrator"> | |
18207 <param name="integration_type" value="intensity_sum"/> | |
18208 <param name="baseline_type" value="base_to_base"/> | |
18209 <param name="fit_EMG" value="false"/> | |
18210 </section> | |
18211 </section> | |
18212 <section name="DIAScoring"> | |
18213 <param name="dia_extraction_window" value="0.05"/> | |
18214 <param name="dia_extraction_unit" value="Th"/> | |
18215 <param name="dia_centroided" value="false"/> | |
18216 <param name="dia_byseries_intensity_min" value="300.0"/> | |
18217 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
18218 <param name="dia_nr_isotopes" value="4"/> | |
18219 <param name="dia_nr_charges" value="4"/> | |
18220 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
18221 </section> | |
18222 <section name="EMGScoring"> | |
18223 <param name="interpolation_step" value="0.2"/> | |
18224 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18225 <param name="max_iteration" value="500"/> | |
18226 <section name="statistics"> | |
18227 <param name="mean" value="1.0"/> | |
18228 <param name="variance" value="1.0"/> | |
18229 </section> | |
18230 </section> | |
18231 <section name="Scores"> | |
18232 <param name="use_shape_score" value="true"/> | |
18233 <param name="use_coelution_score" value="true"/> | |
18234 <param name="use_rt_score" value="true"/> | |
18235 <param name="use_library_score" value="true"/> | |
18236 <param name="use_elution_model_score" value="true"/> | |
18237 <param name="use_intensity_score" value="true"/> | |
18238 <param name="use_nr_peaks_score" value="true"/> | |
18239 <param name="use_total_xic_score" value="true"/> | |
18240 <param name="use_total_mi_score" value="false"/> | |
18241 <param name="use_sn_score" value="true"/> | |
18242 <param name="use_mi_score" value="false"/> | |
18243 <param name="use_dia_scores" value="true"/> | |
18244 <param name="use_ms1_correlation" value="false"/> | |
18245 <param name="use_sonar_scores" value="false"/> | |
18246 <param name="use_ion_mobility_scores" value="false"/> | |
18247 <param name="use_ms1_fullscan" value="false"/> | |
18248 <param name="use_ms1_mi" value="false"/> | |
18249 <param name="use_uis_scores" value="false"/> | |
18250 </section> | |
18251 </section> | |
18252 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18253 <output name="ctd_out" ftype="xml"> | |
18254 <assert_contents> | |
18255 <is_valid_xml/> | |
18256 </assert_contents> | |
18257 </output> | |
18258 </test> | |
18259 <test expect_num_outputs="2"> | |
18260 <conditional name="adv_opts_cond"> | |
18261 <param name="adv_opts_selector" value="advanced"/> | |
18262 <param name="force" value="false"/> | |
18263 <param name="test" value="true"/> | |
18264 </conditional> | |
18265 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
18266 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
18267 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
18268 <output name="out" file="OpenSwathAnalyzer_8_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
18269 <param name="no_strict" value="false"/> | |
18270 <param name="min_upper_edge_dist" value="0.0"/> | |
18271 <section name="model"> | |
18272 <param name="type" value="linear"/> | |
18273 <param name="symmetric_regression" value="false"/> | |
18274 </section> | |
18275 <section name="algorithm"> | |
18276 <param name="stop_report_after_feature" value="-1"/> | |
18277 <param name="rt_extraction_window" value="-1.0"/> | |
18278 <param name="rt_normalization_factor" value="1.0"/> | |
18279 <param name="quantification_cutoff" value="0.0"/> | |
18280 <param name="write_convex_hull" value="false"/> | |
18281 <param name="spectrum_addition_method" value="simple"/> | |
18282 <param name="add_up_spectra" value="1"/> | |
18283 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
18284 <param name="uis_threshold_sn" value="-1"/> | |
18285 <param name="uis_threshold_peak_area" value="0"/> | |
18286 <param name="scoring_model" value="default"/> | |
18287 <param name="im_extra_drift" value="0.0"/> | |
18288 <param name="strict" value="true"/> | |
18289 <section name="TransitionGroupPicker"> | |
18290 <param name="stop_after_feature" value="-1"/> | |
18291 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
18292 <param name="min_peak_width" value="-1.0"/> | |
18293 <param name="peak_integration" value="original"/> | |
18294 <param name="background_subtraction" value="none"/> | |
18295 <param name="recalculate_peaks" value="false"/> | |
18296 <param name="use_precursors" value="false"/> | |
18297 <param name="use_consensus" value="true"/> | |
18298 <param name="recalculate_peaks_max_z" value="1.0"/> | |
18299 <param name="minimal_quality" value="-10000.0"/> | |
18300 <param name="resample_boundary" value="15.0"/> | |
18301 <param name="compute_peak_quality" value="false"/> | |
18302 <param name="compute_peak_shape_metrics" value="false"/> | |
18303 <param name="compute_total_mi" value="false"/> | |
18304 <param name="boundary_selection_method" value="largest"/> | |
18305 <section name="PeakPickerMRM"> | |
18306 <param name="sgolay_frame_length" value="15"/> | |
18307 <param name="sgolay_polynomial_order" value="3"/> | |
18308 <param name="gauss_width" value="50.0"/> | |
18309 <param name="use_gauss" value="true"/> | |
18310 <param name="peak_width" value="40.0"/> | |
18311 <param name="signal_to_noise" value="1.0"/> | |
18312 <param name="sn_win_len" value="1000.0"/> | |
18313 <param name="sn_bin_count" value="30"/> | |
18314 <param name="write_sn_log_messages" value="false"/> | |
18315 <param name="remove_overlapping_peaks" value="false"/> | |
18316 <param name="method" value="legacy"/> | |
18317 </section> | |
18318 <section name="PeakIntegrator"> | |
18319 <param name="integration_type" value="intensity_sum"/> | |
18320 <param name="baseline_type" value="base_to_base"/> | |
18321 <param name="fit_EMG" value="false"/> | |
18322 </section> | |
18323 </section> | |
18324 <section name="DIAScoring"> | |
18325 <param name="dia_extraction_window" value="0.05"/> | |
18326 <param name="dia_extraction_unit" value="Th"/> | |
18327 <param name="dia_centroided" value="false"/> | |
18328 <param name="dia_byseries_intensity_min" value="300.0"/> | |
18329 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
18330 <param name="dia_nr_isotopes" value="4"/> | |
18331 <param name="dia_nr_charges" value="4"/> | |
18332 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
18333 </section> | |
18334 <section name="EMGScoring"> | |
18335 <param name="interpolation_step" value="0.2"/> | |
18336 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18337 <param name="max_iteration" value="500"/> | |
18338 <section name="statistics"> | |
18339 <param name="mean" value="1.0"/> | |
18340 <param name="variance" value="1.0"/> | |
18341 </section> | |
18342 </section> | |
18343 <section name="Scores"> | |
18344 <param name="use_shape_score" value="true"/> | |
18345 <param name="use_coelution_score" value="true"/> | |
18346 <param name="use_rt_score" value="true"/> | |
18347 <param name="use_library_score" value="true"/> | |
18348 <param name="use_elution_model_score" value="true"/> | |
18349 <param name="use_intensity_score" value="true"/> | |
18350 <param name="use_nr_peaks_score" value="true"/> | |
18351 <param name="use_total_xic_score" value="true"/> | |
18352 <param name="use_total_mi_score" value="true"/> | |
18353 <param name="use_sn_score" value="true"/> | |
18354 <param name="use_mi_score" value="true"/> | |
18355 <param name="use_dia_scores" value="true"/> | |
18356 <param name="use_ms1_correlation" value="false"/> | |
18357 <param name="use_sonar_scores" value="false"/> | |
18358 <param name="use_ion_mobility_scores" value="false"/> | |
18359 <param name="use_ms1_fullscan" value="false"/> | |
18360 <param name="use_ms1_mi" value="true"/> | |
18361 <param name="use_uis_scores" value="false"/> | |
18362 </section> | |
18363 </section> | |
18364 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18365 <output name="ctd_out" ftype="xml"> | |
18366 <assert_contents> | |
18367 <is_valid_xml/> | |
18368 </assert_contents> | |
18369 </output> | |
18370 </test> | |
18371 <test expect_num_outputs="2"> | |
18372 <conditional name="adv_opts_cond"> | |
18373 <param name="adv_opts_selector" value="advanced"/> | |
18374 <param name="force" value="false"/> | |
18375 <param name="test" value="true"/> | |
18376 </conditional> | |
18377 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
18378 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
18379 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
18380 <output name="out" file="OpenSwathAnalyzer_9_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
18381 <param name="no_strict" value="false"/> | |
18382 <param name="min_upper_edge_dist" value="0.0"/> | |
18383 <section name="model"> | |
18384 <param name="type" value="linear"/> | |
18385 <param name="symmetric_regression" value="false"/> | |
18386 </section> | |
18387 <section name="algorithm"> | |
18388 <param name="stop_report_after_feature" value="-1"/> | |
18389 <param name="rt_extraction_window" value="-1.0"/> | |
18390 <param name="rt_normalization_factor" value="1.0"/> | |
18391 <param name="quantification_cutoff" value="0.0"/> | |
18392 <param name="write_convex_hull" value="false"/> | |
18393 <param name="spectrum_addition_method" value="simple"/> | |
18394 <param name="add_up_spectra" value="1"/> | |
18395 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
18396 <param name="uis_threshold_sn" value="-1"/> | |
18397 <param name="uis_threshold_peak_area" value="0"/> | |
18398 <param name="scoring_model" value="default"/> | |
18399 <param name="im_extra_drift" value="0.0"/> | |
18400 <param name="strict" value="true"/> | |
18401 <section name="TransitionGroupPicker"> | |
18402 <param name="stop_after_feature" value="-1"/> | |
18403 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
18404 <param name="min_peak_width" value="-1.0"/> | |
18405 <param name="peak_integration" value="original"/> | |
18406 <param name="background_subtraction" value="none"/> | |
18407 <param name="recalculate_peaks" value="false"/> | |
18408 <param name="use_precursors" value="false"/> | |
18409 <param name="use_consensus" value="true"/> | |
18410 <param name="recalculate_peaks_max_z" value="1.0"/> | |
18411 <param name="minimal_quality" value="-10000.0"/> | |
18412 <param name="resample_boundary" value="15.0"/> | |
18413 <param name="compute_peak_quality" value="false"/> | |
18414 <param name="compute_peak_shape_metrics" value="false"/> | |
18415 <param name="compute_total_mi" value="false"/> | |
18416 <param name="boundary_selection_method" value="largest"/> | |
18417 <section name="PeakPickerMRM"> | |
18418 <param name="sgolay_frame_length" value="15"/> | |
18419 <param name="sgolay_polynomial_order" value="3"/> | |
18420 <param name="gauss_width" value="50.0"/> | |
18421 <param name="use_gauss" value="true"/> | |
18422 <param name="peak_width" value="40.0"/> | |
18423 <param name="signal_to_noise" value="1.0"/> | |
18424 <param name="sn_win_len" value="1000.0"/> | |
18425 <param name="sn_bin_count" value="30"/> | |
18426 <param name="write_sn_log_messages" value="false"/> | |
18427 <param name="remove_overlapping_peaks" value="false"/> | |
18428 <param name="method" value="legacy"/> | |
18429 </section> | |
18430 <section name="PeakIntegrator"> | |
18431 <param name="integration_type" value="intensity_sum"/> | |
18432 <param name="baseline_type" value="base_to_base"/> | |
18433 <param name="fit_EMG" value="false"/> | |
18434 </section> | |
18435 </section> | |
18436 <section name="DIAScoring"> | |
18437 <param name="dia_extraction_window" value="0.05"/> | |
18438 <param name="dia_extraction_unit" value="Th"/> | |
18439 <param name="dia_centroided" value="false"/> | |
18440 <param name="dia_byseries_intensity_min" value="300.0"/> | |
18441 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
18442 <param name="dia_nr_isotopes" value="4"/> | |
18443 <param name="dia_nr_charges" value="4"/> | |
18444 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
18445 </section> | |
18446 <section name="EMGScoring"> | |
18447 <param name="interpolation_step" value="0.2"/> | |
18448 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18449 <param name="max_iteration" value="500"/> | |
18450 <section name="statistics"> | |
18451 <param name="mean" value="1.0"/> | |
18452 <param name="variance" value="1.0"/> | |
18453 </section> | |
18454 </section> | |
18455 <section name="Scores"> | |
18456 <param name="use_shape_score" value="true"/> | |
18457 <param name="use_coelution_score" value="true"/> | |
18458 <param name="use_rt_score" value="true"/> | |
18459 <param name="use_library_score" value="true"/> | |
18460 <param name="use_elution_model_score" value="true"/> | |
18461 <param name="use_intensity_score" value="true"/> | |
18462 <param name="use_nr_peaks_score" value="true"/> | |
18463 <param name="use_total_xic_score" value="true"/> | |
18464 <param name="use_total_mi_score" value="false"/> | |
18465 <param name="use_sn_score" value="true"/> | |
18466 <param name="use_mi_score" value="true"/> | |
18467 <param name="use_dia_scores" value="true"/> | |
18468 <param name="use_ms1_correlation" value="false"/> | |
18469 <param name="use_sonar_scores" value="false"/> | |
18470 <param name="use_ion_mobility_scores" value="false"/> | |
18471 <param name="use_ms1_fullscan" value="false"/> | |
18472 <param name="use_ms1_mi" value="false"/> | |
18473 <param name="use_uis_scores" value="false"/> | |
18474 </section> | |
18475 </section> | |
18476 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18477 <output name="ctd_out" ftype="xml"> | |
18478 <assert_contents> | |
18479 <is_valid_xml/> | |
18480 </assert_contents> | |
18481 </output> | |
18482 </test> | |
18483 <test expect_num_outputs="2"> | |
18484 <conditional name="adv_opts_cond"> | |
18485 <param name="adv_opts_selector" value="advanced"/> | |
18486 <param name="force" value="false"/> | |
18487 <param name="test" value="true"/> | |
18488 </conditional> | |
18489 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
18490 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
18491 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
18492 <output name="out" file="OpenSwathAnalyzer_10_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
18493 <param name="no_strict" value="false"/> | |
18494 <param name="min_upper_edge_dist" value="0.0"/> | |
18495 <section name="model"> | |
18496 <param name="type" value="linear"/> | |
18497 <param name="symmetric_regression" value="false"/> | |
18498 </section> | |
18499 <section name="algorithm"> | |
18500 <param name="stop_report_after_feature" value="-1"/> | |
18501 <param name="rt_extraction_window" value="-1.0"/> | |
18502 <param name="rt_normalization_factor" value="1.0"/> | |
18503 <param name="quantification_cutoff" value="0.0"/> | |
18504 <param name="write_convex_hull" value="false"/> | |
18505 <param name="spectrum_addition_method" value="simple"/> | |
18506 <param name="add_up_spectra" value="1"/> | |
18507 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
18508 <param name="uis_threshold_sn" value="-1"/> | |
18509 <param name="uis_threshold_peak_area" value="0"/> | |
18510 <param name="scoring_model" value="default"/> | |
18511 <param name="im_extra_drift" value="0.0"/> | |
18512 <param name="strict" value="true"/> | |
18513 <section name="TransitionGroupPicker"> | |
18514 <param name="stop_after_feature" value="-1"/> | |
18515 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
18516 <param name="min_peak_width" value="-1.0"/> | |
18517 <param name="peak_integration" value="original"/> | |
18518 <param name="background_subtraction" value="none"/> | |
18519 <param name="recalculate_peaks" value="false"/> | |
18520 <param name="use_precursors" value="false"/> | |
18521 <param name="use_consensus" value="true"/> | |
18522 <param name="recalculate_peaks_max_z" value="1.0"/> | |
18523 <param name="minimal_quality" value="-10000.0"/> | |
18524 <param name="resample_boundary" value="15.0"/> | |
18525 <param name="compute_peak_quality" value="false"/> | |
18526 <param name="compute_peak_shape_metrics" value="false"/> | |
18527 <param name="compute_total_mi" value="false"/> | |
18528 <param name="boundary_selection_method" value="largest"/> | |
18529 <section name="PeakPickerMRM"> | |
18530 <param name="sgolay_frame_length" value="15"/> | |
18531 <param name="sgolay_polynomial_order" value="3"/> | |
18532 <param name="gauss_width" value="50.0"/> | |
18533 <param name="use_gauss" value="true"/> | |
18534 <param name="peak_width" value="40.0"/> | |
18535 <param name="signal_to_noise" value="1.0"/> | |
18536 <param name="sn_win_len" value="1000.0"/> | |
18537 <param name="sn_bin_count" value="30"/> | |
18538 <param name="write_sn_log_messages" value="false"/> | |
18539 <param name="remove_overlapping_peaks" value="false"/> | |
18540 <param name="method" value="legacy"/> | |
18541 </section> | |
18542 <section name="PeakIntegrator"> | |
18543 <param name="integration_type" value="intensity_sum"/> | |
18544 <param name="baseline_type" value="base_to_base"/> | |
18545 <param name="fit_EMG" value="false"/> | |
18546 </section> | |
18547 </section> | |
18548 <section name="DIAScoring"> | |
18549 <param name="dia_extraction_window" value="0.05"/> | |
18550 <param name="dia_extraction_unit" value="Th"/> | |
18551 <param name="dia_centroided" value="false"/> | |
18552 <param name="dia_byseries_intensity_min" value="300.0"/> | |
18553 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
18554 <param name="dia_nr_isotopes" value="4"/> | |
18555 <param name="dia_nr_charges" value="4"/> | |
18556 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
18557 </section> | |
18558 <section name="EMGScoring"> | |
18559 <param name="interpolation_step" value="0.2"/> | |
18560 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18561 <param name="max_iteration" value="500"/> | |
18562 <section name="statistics"> | |
18563 <param name="mean" value="1.0"/> | |
18564 <param name="variance" value="1.0"/> | |
18565 </section> | |
18566 </section> | |
18567 <section name="Scores"> | |
18568 <param name="use_shape_score" value="true"/> | |
18569 <param name="use_coelution_score" value="true"/> | |
18570 <param name="use_rt_score" value="true"/> | |
18571 <param name="use_library_score" value="true"/> | |
18572 <param name="use_elution_model_score" value="true"/> | |
18573 <param name="use_intensity_score" value="true"/> | |
18574 <param name="use_nr_peaks_score" value="true"/> | |
18575 <param name="use_total_xic_score" value="true"/> | |
18576 <param name="use_total_mi_score" value="true"/> | |
18577 <param name="use_sn_score" value="true"/> | |
18578 <param name="use_mi_score" value="true"/> | |
18579 <param name="use_dia_scores" value="true"/> | |
18580 <param name="use_ms1_correlation" value="false"/> | |
18581 <param name="use_sonar_scores" value="false"/> | |
18582 <param name="use_ion_mobility_scores" value="false"/> | |
18583 <param name="use_ms1_fullscan" value="false"/> | |
18584 <param name="use_ms1_mi" value="false"/> | |
18585 <param name="use_uis_scores" value="false"/> | |
18586 </section> | |
18587 </section> | |
18588 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18589 <output name="ctd_out" ftype="xml"> | |
18590 <assert_contents> | |
18591 <is_valid_xml/> | |
18592 </assert_contents> | |
18593 </output> | |
18594 </test> | |
18595 <test expect_num_outputs="2"> | |
18596 <conditional name="adv_opts_cond"> | |
18597 <param name="adv_opts_selector" value="advanced"/> | |
18598 <param name="force" value="false"/> | |
18599 <param name="test" value="true"/> | |
18600 </conditional> | |
18601 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
18602 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
18603 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
18604 <output name="out" file="OpenSwathAnalyzer_11_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
18605 <param name="no_strict" value="false"/> | |
18606 <param name="min_upper_edge_dist" value="0.0"/> | |
18607 <section name="model"> | |
18608 <param name="type" value="linear"/> | |
18609 <param name="symmetric_regression" value="false"/> | |
18610 </section> | |
18611 <section name="algorithm"> | |
18612 <param name="stop_report_after_feature" value="-1"/> | |
18613 <param name="rt_extraction_window" value="-1.0"/> | |
18614 <param name="rt_normalization_factor" value="1.0"/> | |
18615 <param name="quantification_cutoff" value="0.0"/> | |
18616 <param name="write_convex_hull" value="false"/> | |
18617 <param name="spectrum_addition_method" value="simple"/> | |
18618 <param name="add_up_spectra" value="1"/> | |
18619 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
18620 <param name="uis_threshold_sn" value="-1"/> | |
18621 <param name="uis_threshold_peak_area" value="0"/> | |
18622 <param name="scoring_model" value="default"/> | |
18623 <param name="im_extra_drift" value="0.0"/> | |
18624 <param name="strict" value="true"/> | |
18625 <section name="TransitionGroupPicker"> | |
18626 <param name="stop_after_feature" value="-1"/> | |
18627 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
18628 <param name="min_peak_width" value="-1.0"/> | |
18629 <param name="peak_integration" value="original"/> | |
18630 <param name="background_subtraction" value="none"/> | |
18631 <param name="recalculate_peaks" value="false"/> | |
18632 <param name="use_precursors" value="false"/> | |
18633 <param name="use_consensus" value="true"/> | |
18634 <param name="recalculate_peaks_max_z" value="1.0"/> | |
18635 <param name="minimal_quality" value="-10000.0"/> | |
18636 <param name="resample_boundary" value="15.0"/> | |
18637 <param name="compute_peak_quality" value="false"/> | |
18638 <param name="compute_peak_shape_metrics" value="false"/> | |
18639 <param name="compute_total_mi" value="false"/> | |
18640 <param name="boundary_selection_method" value="largest"/> | |
18641 <section name="PeakPickerMRM"> | |
18642 <param name="sgolay_frame_length" value="15"/> | |
18643 <param name="sgolay_polynomial_order" value="3"/> | |
18644 <param name="gauss_width" value="50.0"/> | |
18645 <param name="use_gauss" value="true"/> | |
18646 <param name="peak_width" value="40.0"/> | |
18647 <param name="signal_to_noise" value="1.0"/> | |
18648 <param name="sn_win_len" value="1000.0"/> | |
18649 <param name="sn_bin_count" value="30"/> | |
18650 <param name="write_sn_log_messages" value="false"/> | |
18651 <param name="remove_overlapping_peaks" value="false"/> | |
18652 <param name="method" value="legacy"/> | |
18653 </section> | |
18654 <section name="PeakIntegrator"> | |
18655 <param name="integration_type" value="intensity_sum"/> | |
18656 <param name="baseline_type" value="base_to_base"/> | |
18657 <param name="fit_EMG" value="false"/> | |
18658 </section> | |
18659 </section> | |
18660 <section name="DIAScoring"> | |
18661 <param name="dia_extraction_window" value="0.05"/> | |
18662 <param name="dia_extraction_unit" value="Th"/> | |
18663 <param name="dia_centroided" value="false"/> | |
18664 <param name="dia_byseries_intensity_min" value="300.0"/> | |
18665 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
18666 <param name="dia_nr_isotopes" value="4"/> | |
18667 <param name="dia_nr_charges" value="4"/> | |
18668 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
18669 </section> | |
18670 <section name="EMGScoring"> | |
18671 <param name="interpolation_step" value="0.2"/> | |
18672 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18673 <param name="max_iteration" value="500"/> | |
18674 <section name="statistics"> | |
18675 <param name="mean" value="1.0"/> | |
18676 <param name="variance" value="1.0"/> | |
18677 </section> | |
18678 </section> | |
18679 <section name="Scores"> | |
18680 <param name="use_shape_score" value="true"/> | |
18681 <param name="use_coelution_score" value="true"/> | |
18682 <param name="use_rt_score" value="true"/> | |
18683 <param name="use_library_score" value="true"/> | |
18684 <param name="use_elution_model_score" value="true"/> | |
18685 <param name="use_intensity_score" value="true"/> | |
18686 <param name="use_nr_peaks_score" value="true"/> | |
18687 <param name="use_total_xic_score" value="true"/> | |
18688 <param name="use_total_mi_score" value="true"/> | |
18689 <param name="use_sn_score" value="true"/> | |
18690 <param name="use_mi_score" value="false"/> | |
18691 <param name="use_dia_scores" value="true"/> | |
18692 <param name="use_ms1_correlation" value="false"/> | |
18693 <param name="use_sonar_scores" value="false"/> | |
18694 <param name="use_ion_mobility_scores" value="false"/> | |
18695 <param name="use_ms1_fullscan" value="false"/> | |
18696 <param name="use_ms1_mi" value="false"/> | |
18697 <param name="use_uis_scores" value="false"/> | |
18698 </section> | |
18699 </section> | |
18700 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18701 <output name="ctd_out" ftype="xml"> | |
18702 <assert_contents> | |
18703 <is_valid_xml/> | |
18704 </assert_contents> | |
18705 </output> | |
18706 </test> | |
18707 </xml> | |
18708 <xml name="autotest_OpenSwathAssayGenerator"> | |
18709 <test expect_num_outputs="2"> | |
18710 <conditional name="adv_opts_cond"> | |
18711 <param name="adv_opts_selector" value="advanced"/> | |
18712 <param name="max_num_alternative_localizations" value="10000"/> | |
18713 <param name="disable_identification_ms2_precursors" value="false"/> | |
18714 <param name="disable_identification_specific_losses" value="false"/> | |
18715 <param name="enable_identification_unspecific_losses" value="false"/> | |
18716 <param name="enable_swath_specifity" value="false"/> | |
18717 <param name="force" value="false"/> | |
18718 <param name="test" value="true"/> | |
18719 </conditional> | |
18720 <param name="in" value="OpenSwathAssayGenerator_input.TraML"/> | |
18721 <output name="out" file="OpenSwathAssayGenerator_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
18722 <param name="out_type" value="TraML"/> | |
18723 <param name="min_transitions" value="6"/> | |
18724 <param name="max_transitions" value="6"/> | |
18725 <param name="allowed_fragment_types" value="b,y"/> | |
18726 <param name="allowed_fragment_charges" value="2,3"/> | |
18727 <param name="enable_detection_specific_losses" value="true"/> | |
18728 <param name="enable_detection_unspecific_losses" value="false"/> | |
18729 <param name="precursor_mz_threshold" value="0.025"/> | |
18730 <param name="precursor_lower_mz_limit" value="400.0"/> | |
18731 <param name="precursor_upper_mz_limit" value="1200.0"/> | |
18732 <param name="product_mz_threshold" value="0.025"/> | |
18733 <param name="product_lower_mz_limit" value="350.0"/> | |
18734 <param name="product_upper_mz_limit" value="2000.0"/> | |
18735 <param name="enable_ipf" value="false"/> | |
18736 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18737 <output name="ctd_out" ftype="xml"> | |
18738 <assert_contents> | |
18739 <is_valid_xml/> | |
18740 </assert_contents> | |
18741 </output> | |
18742 </test> | |
18743 <test expect_num_outputs="2"> | |
18744 <conditional name="adv_opts_cond"> | |
18745 <param name="adv_opts_selector" value="advanced"/> | |
18746 <param name="max_num_alternative_localizations" value="10000"/> | |
18747 <param name="disable_identification_ms2_precursors" value="false"/> | |
18748 <param name="disable_identification_specific_losses" value="false"/> | |
18749 <param name="enable_identification_unspecific_losses" value="false"/> | |
18750 <param name="enable_swath_specifity" value="false"/> | |
18751 <param name="force" value="false"/> | |
18752 <param name="test" value="true"/> | |
18753 </conditional> | |
18754 <param name="in" value="OpenSwathAssayGenerator_input_2.TraML"/> | |
18755 <output name="out" file="OpenSwathAssayGenerator_output_2.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
18756 <param name="out_type" value="TraML"/> | |
18757 <param name="min_transitions" value="6"/> | |
18758 <param name="max_transitions" value="6"/> | |
18759 <param name="allowed_fragment_types" value="b,y"/> | |
18760 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
18761 <param name="enable_detection_specific_losses" value="false"/> | |
18762 <param name="enable_detection_unspecific_losses" value="false"/> | |
18763 <param name="precursor_mz_threshold" value="0.025"/> | |
18764 <param name="precursor_lower_mz_limit" value="400.0"/> | |
18765 <param name="precursor_upper_mz_limit" value="1200.0"/> | |
18766 <param name="product_mz_threshold" value="0.025"/> | |
18767 <param name="product_lower_mz_limit" value="350.0"/> | |
18768 <param name="product_upper_mz_limit" value="2000.0"/> | |
18769 <param name="unimod_file" value="OpenSwathAssayGenerator_input_2_unimod.xml"/> | |
18770 <param name="enable_ipf" value="true"/> | |
18771 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18772 <output name="ctd_out" ftype="xml"> | |
18773 <assert_contents> | |
18774 <is_valid_xml/> | |
18775 </assert_contents> | |
18776 </output> | |
18777 </test> | |
18778 <test expect_num_outputs="2"> | |
18779 <conditional name="adv_opts_cond"> | |
18780 <param name="adv_opts_selector" value="advanced"/> | |
18781 <param name="max_num_alternative_localizations" value="10000"/> | |
18782 <param name="disable_identification_ms2_precursors" value="false"/> | |
18783 <param name="disable_identification_specific_losses" value="false"/> | |
18784 <param name="enable_identification_unspecific_losses" value="false"/> | |
18785 <param name="enable_swath_specifity" value="false"/> | |
18786 <param name="force" value="false"/> | |
18787 <param name="test" value="true"/> | |
18788 </conditional> | |
18789 <param name="in" value="OpenSwathAssayGenerator_input_2.TraML"/> | |
18790 <output name="out" file="OpenSwathAssayGenerator_output_3.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
18791 <param name="out_type" value="TraML"/> | |
18792 <param name="min_transitions" value="6"/> | |
18793 <param name="max_transitions" value="6"/> | |
18794 <param name="allowed_fragment_types" value="b,y"/> | |
18795 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
18796 <param name="enable_detection_specific_losses" value="false"/> | |
18797 <param name="enable_detection_unspecific_losses" value="false"/> | |
18798 <param name="precursor_mz_threshold" value="0.025"/> | |
18799 <param name="precursor_lower_mz_limit" value="400.0"/> | |
18800 <param name="precursor_upper_mz_limit" value="1200.0"/> | |
18801 <param name="product_mz_threshold" value="0.025"/> | |
18802 <param name="product_lower_mz_limit" value="350.0"/> | |
18803 <param name="product_upper_mz_limit" value="2000.0"/> | |
18804 <param name="unimod_file" value="OpenSwathAssayGenerator_input_3_unimod.xml"/> | |
18805 <param name="enable_ipf" value="true"/> | |
18806 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18807 <output name="ctd_out" ftype="xml"> | |
18808 <assert_contents> | |
18809 <is_valid_xml/> | |
18810 </assert_contents> | |
18811 </output> | |
18812 </test> | |
18813 </xml> | |
18814 <xml name="autotest_OpenSwathChromatogramExtractor"> | |
18815 <test expect_num_outputs="2"> | |
18816 <conditional name="adv_opts_cond"> | |
18817 <param name="adv_opts_selector" value="advanced"/> | |
18818 <param name="extraction_function" value="tophat"/> | |
18819 <param name="force" value="false"/> | |
18820 <param name="test" value="true"/> | |
18821 </conditional> | |
18822 <param name="in" value="OpenSwathChromatogramExtractor_input.mzML"/> | |
18823 <param name="tr" value="OpenSwathChromatogramExtractor_input.TraML"/> | |
18824 <output name="out" file="OpenSwathChromatogramExtractor_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18825 <param name="min_upper_edge_dist" value="0.0"/> | |
18826 <param name="rt_window" value="-1.0"/> | |
18827 <param name="ion_mobility_window" value="-1.0"/> | |
18828 <param name="mz_window" value="0.05"/> | |
18829 <param name="ppm" value="false"/> | |
18830 <param name="is_swath" value="false"/> | |
18831 <param name="extract_MS1" value="false"/> | |
18832 <section name="model"> | |
18833 <param name="type" value="linear"/> | |
18834 <param name="symmetric_regression" value="false"/> | |
18835 </section> | |
18836 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18837 <output name="ctd_out" ftype="xml"> | |
18838 <assert_contents> | |
18839 <is_valid_xml/> | |
18840 </assert_contents> | |
18841 </output> | |
18842 </test> | |
18843 <test expect_num_outputs="2"> | |
18844 <conditional name="adv_opts_cond"> | |
18845 <param name="adv_opts_selector" value="advanced"/> | |
18846 <param name="extraction_function" value="tophat"/> | |
18847 <param name="force" value="false"/> | |
18848 <param name="test" value="true"/> | |
18849 </conditional> | |
18850 <param name="in" value="OpenSwathChromatogramExtractor_input.mzML"/> | |
18851 <param name="tr" value="OpenSwathChromatogramExtractor_input.TraML"/> | |
18852 <param name="rt_norm" value="OpenSwathChromatogramExtractor_input.trafoXML"/> | |
18853 <output name="out" file="OpenSwathChromatogramExtractor_output_2.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18854 <param name="min_upper_edge_dist" value="0.0"/> | |
18855 <param name="rt_window" value="50.0"/> | |
18856 <param name="ion_mobility_window" value="-1.0"/> | |
18857 <param name="mz_window" value="0.05"/> | |
18858 <param name="ppm" value="false"/> | |
18859 <param name="is_swath" value="false"/> | |
18860 <param name="extract_MS1" value="false"/> | |
18861 <section name="model"> | |
18862 <param name="type" value="linear"/> | |
18863 <param name="symmetric_regression" value="false"/> | |
18864 </section> | |
18865 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18866 <output name="ctd_out" ftype="xml"> | |
18867 <assert_contents> | |
18868 <is_valid_xml/> | |
18869 </assert_contents> | |
18870 </output> | |
18871 </test> | |
18872 <test expect_num_outputs="2"> | |
18873 <conditional name="adv_opts_cond"> | |
18874 <param name="adv_opts_selector" value="advanced"/> | |
18875 <param name="extraction_function" value="tophat"/> | |
18876 <param name="force" value="false"/> | |
18877 <param name="test" value="true"/> | |
18878 </conditional> | |
18879 <param name="in" value="OpenSwathChromatogramExtractor_input.mzML"/> | |
18880 <param name="tr" value="OpenSwathChromatogramExtractor_input.TraML"/> | |
18881 <output name="out" file="OpenSwathChromatogramExtractor_output_3.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18882 <param name="min_upper_edge_dist" value="0.0"/> | |
18883 <param name="rt_window" value="-1.0"/> | |
18884 <param name="ion_mobility_window" value="-1.0"/> | |
18885 <param name="mz_window" value="0.05"/> | |
18886 <param name="ppm" value="false"/> | |
18887 <param name="is_swath" value="false"/> | |
18888 <param name="extract_MS1" value="true"/> | |
18889 <section name="model"> | |
18890 <param name="type" value="linear"/> | |
18891 <param name="symmetric_regression" value="false"/> | |
18892 </section> | |
18893 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18894 <output name="ctd_out" ftype="xml"> | |
18895 <assert_contents> | |
18896 <is_valid_xml/> | |
18897 </assert_contents> | |
18898 </output> | |
18899 </test> | |
18900 <test expect_num_outputs="2"> | |
18901 <conditional name="adv_opts_cond"> | |
18902 <param name="adv_opts_selector" value="advanced"/> | |
18903 <param name="extraction_function" value="tophat"/> | |
18904 <param name="force" value="false"/> | |
18905 <param name="test" value="true"/> | |
18906 </conditional> | |
18907 <param name="in" value="OpenSwathChromatogramExtractor_4_input.mzML"/> | |
18908 <param name="tr" value="OpenSwathChromatogramExtractor_4_input.TraML"/> | |
18909 <output name="out" file="OpenSwathChromatogramExtractor_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18910 <param name="min_upper_edge_dist" value="0.0"/> | |
18911 <param name="rt_window" value="-1.0"/> | |
18912 <param name="ion_mobility_window" value="0.05"/> | |
18913 <param name="mz_window" value="0.05"/> | |
18914 <param name="ppm" value="false"/> | |
18915 <param name="is_swath" value="true"/> | |
18916 <param name="extract_MS1" value="false"/> | |
18917 <section name="model"> | |
18918 <param name="type" value="linear"/> | |
18919 <param name="symmetric_regression" value="false"/> | |
18920 </section> | |
18921 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18922 <output name="ctd_out" ftype="xml"> | |
18923 <assert_contents> | |
18924 <is_valid_xml/> | |
18925 </assert_contents> | |
18926 </output> | |
18927 </test> | |
18928 <test expect_num_outputs="2"> | |
18929 <conditional name="adv_opts_cond"> | |
18930 <param name="adv_opts_selector" value="advanced"/> | |
18931 <param name="extraction_function" value="tophat"/> | |
18932 <param name="force" value="false"/> | |
18933 <param name="test" value="true"/> | |
18934 </conditional> | |
18935 <param name="in" value="OpenSwathChromatogramExtractor_input.mzML"/> | |
18936 <param name="tr" value="OpenSwathChromatogramExtractor_5_input.TraML"/> | |
18937 <output name="out" file="OpenSwathChromatogramExtractor_5_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18938 <param name="min_upper_edge_dist" value="0.0"/> | |
18939 <param name="rt_window" value="-1.0"/> | |
18940 <param name="ion_mobility_window" value="-1.0"/> | |
18941 <param name="mz_window" value="0.05"/> | |
18942 <param name="ppm" value="false"/> | |
18943 <param name="is_swath" value="false"/> | |
18944 <param name="extract_MS1" value="true"/> | |
18945 <section name="model"> | |
18946 <param name="type" value="linear"/> | |
18947 <param name="symmetric_regression" value="false"/> | |
18948 </section> | |
18949 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18950 <output name="ctd_out" ftype="xml"> | |
18951 <assert_contents> | |
18952 <is_valid_xml/> | |
18953 </assert_contents> | |
18954 </output> | |
18955 </test> | |
18956 </xml> | |
18957 <xml name="autotest_OpenSwathConfidenceScoring"> | |
18958 <test expect_num_outputs="2"> | |
18959 <conditional name="adv_opts_cond"> | |
18960 <param name="adv_opts_selector" value="advanced"/> | |
18961 <param name="force" value="false"/> | |
18962 <param name="test" value="true"/> | |
18963 </conditional> | |
18964 <param name="in" value="OpenSwathFeatureXMLToTSV_input.featureXML"/> | |
18965 <param name="lib" value="OpenSwathFeatureXMLToTSV_input.TraML"/> | |
18966 <output name="out" file="OpenSwathConfidenceScoring_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
18967 <param name="trafo" value="OpenSwathConfidenceScoring_1_input.trafoXML"/> | |
18968 <param name="decoys" value="1"/> | |
18969 <param name="transitions" value="2"/> | |
18970 <section name="GLM"> | |
18971 <param name="intercept" value="3.87333466"/> | |
18972 <param name="delta_rt" value="-0.02898629"/> | |
18973 <param name="dist_int" value="-7.75880768"/> | |
18974 </section> | |
18975 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18976 <output name="ctd_out" ftype="xml"> | |
18977 <assert_contents> | |
18978 <is_valid_xml/> | |
18979 </assert_contents> | |
18980 </output> | |
18981 </test> | |
18982 </xml> | |
18983 <xml name="autotest_OpenSwathDecoyGenerator"> | |
18984 <test expect_num_outputs="2"> | |
18985 <conditional name="adv_opts_cond"> | |
18986 <param name="adv_opts_selector" value="advanced"/> | |
18987 <param name="min_decoy_fraction" value="0.8"/> | |
18988 <param name="aim_decoy_fraction" value="1.0"/> | |
18989 <param name="shuffle_max_attempts" value="30"/> | |
18990 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
18991 <param name="shift_precursor_mz_shift" value="0.0"/> | |
18992 <param name="shift_product_mz_shift" value="20.0"/> | |
18993 <param name="product_mz_threshold" value="0.025"/> | |
18994 <param name="allowed_fragment_types" value="b,y"/> | |
18995 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
18996 <param name="enable_detection_specific_losses" value="false"/> | |
18997 <param name="enable_detection_unspecific_losses" value="false"/> | |
18998 <param name="separate" value="true"/> | |
18999 <param name="force" value="false"/> | |
19000 <param name="test" value="true"/> | |
19001 </conditional> | |
19002 <param name="in" value="OpenSwathDecoyGenerator_input.TraML"/> | |
19003 <output name="out" file="OpenSwathDecoyGenerator_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
19004 <param name="out_type" value="TraML"/> | |
19005 <param name="method" value="pseudo-reverse"/> | |
19006 <param name="decoy_tag" value="DECOY_"/> | |
19007 <param name="switchKR" value="false"/> | |
19008 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19009 <output name="ctd_out" ftype="xml"> | |
19010 <assert_contents> | |
19011 <is_valid_xml/> | |
19012 </assert_contents> | |
19013 </output> | |
19014 </test> | |
19015 <test expect_num_outputs="2"> | |
19016 <conditional name="adv_opts_cond"> | |
19017 <param name="adv_opts_selector" value="advanced"/> | |
19018 <param name="min_decoy_fraction" value="0.8"/> | |
19019 <param name="aim_decoy_fraction" value="1.0"/> | |
19020 <param name="shuffle_max_attempts" value="30"/> | |
19021 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
19022 <param name="shift_precursor_mz_shift" value="0.0"/> | |
19023 <param name="shift_product_mz_shift" value="20.0"/> | |
19024 <param name="product_mz_threshold" value="0.8"/> | |
19025 <param name="allowed_fragment_types" value="b,y"/> | |
19026 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
19027 <param name="enable_detection_specific_losses" value="false"/> | |
19028 <param name="enable_detection_unspecific_losses" value="false"/> | |
19029 <param name="separate" value="false"/> | |
19030 <param name="force" value="false"/> | |
19031 <param name="test" value="true"/> | |
19032 </conditional> | |
19033 <param name="in" value="OpenSwathDecoyGenerator_input_2.TraML"/> | |
19034 <output name="out" file="OpenSwathDecoyGenerator_output_2.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
19035 <param name="out_type" value="TraML"/> | |
19036 <param name="method" value="pseudo-reverse"/> | |
19037 <param name="decoy_tag" value="DECOY_"/> | |
19038 <param name="switchKR" value="false"/> | |
19039 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19040 <output name="ctd_out" ftype="xml"> | |
19041 <assert_contents> | |
19042 <is_valid_xml/> | |
19043 </assert_contents> | |
19044 </output> | |
19045 </test> | |
19046 <test expect_num_outputs="2"> | |
19047 <conditional name="adv_opts_cond"> | |
19048 <param name="adv_opts_selector" value="advanced"/> | |
19049 <param name="min_decoy_fraction" value="0.8"/> | |
19050 <param name="aim_decoy_fraction" value="1.0"/> | |
19051 <param name="shuffle_max_attempts" value="30"/> | |
19052 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
19053 <param name="shift_precursor_mz_shift" value="0.0"/> | |
19054 <param name="shift_product_mz_shift" value="20.0"/> | |
19055 <param name="product_mz_threshold" value="0.025"/> | |
19056 <param name="allowed_fragment_types" value="b,y"/> | |
19057 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
19058 <param name="enable_detection_specific_losses" value="false"/> | |
19059 <param name="enable_detection_unspecific_losses" value="false"/> | |
19060 <param name="separate" value="true"/> | |
19061 <param name="force" value="false"/> | |
19062 <param name="test" value="true"/> | |
19063 </conditional> | |
19064 <param name="in" value="OpenSwathDecoyGenerator_input_3.TraML"/> | |
19065 <output name="out" file="OpenSwathDecoyGenerator_output_3.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
19066 <param name="out_type" value="TraML"/> | |
19067 <param name="method" value="pseudo-reverse"/> | |
19068 <param name="decoy_tag" value="DECOY_"/> | |
19069 <param name="switchKR" value="false"/> | |
19070 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19071 <output name="ctd_out" ftype="xml"> | |
19072 <assert_contents> | |
19073 <is_valid_xml/> | |
19074 </assert_contents> | |
19075 </output> | |
19076 </test> | |
19077 <test expect_num_outputs="2"> | |
19078 <conditional name="adv_opts_cond"> | |
19079 <param name="adv_opts_selector" value="advanced"/> | |
19080 <param name="min_decoy_fraction" value="0.4"/> | |
19081 <param name="aim_decoy_fraction" value="1.0"/> | |
19082 <param name="shuffle_max_attempts" value="30"/> | |
19083 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
19084 <param name="shift_precursor_mz_shift" value="0.0"/> | |
19085 <param name="shift_product_mz_shift" value="20.0"/> | |
19086 <param name="product_mz_threshold" value="0.025"/> | |
19087 <param name="allowed_fragment_types" value="b,y"/> | |
19088 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
19089 <param name="enable_detection_specific_losses" value="true"/> | |
19090 <param name="enable_detection_unspecific_losses" value="true"/> | |
19091 <param name="separate" value="true"/> | |
19092 <param name="force" value="false"/> | |
19093 <param name="test" value="true"/> | |
19094 </conditional> | |
19095 <param name="in" value="OpenSwathDecoyGenerator_input_4.tsv" ftype="tabular"/> | |
19096 <output name="out" file="OpenSwathDecoyGenerator_output_4.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
19097 <param name="out_type" value="TraML"/> | |
19098 <param name="method" value="pseudo-reverse"/> | |
19099 <param name="decoy_tag" value="DECOY_"/> | |
19100 <param name="switchKR" value="true"/> | |
19101 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19102 <output name="ctd_out" ftype="xml"> | |
19103 <assert_contents> | |
19104 <is_valid_xml/> | |
19105 </assert_contents> | |
19106 </output> | |
19107 </test> | |
19108 </xml> | |
19109 <xml name="autotest_OpenSwathDIAPreScoring"> | |
19110 </xml> | |
19111 <xml name="autotest_OpenSwathFeatureXMLToTSV"> | |
19112 <test expect_num_outputs="2"> | |
19113 <conditional name="adv_opts_cond"> | |
19114 <param name="adv_opts_selector" value="advanced"/> | |
19115 <param name="force" value="false"/> | |
19116 <param name="test" value="true"/> | |
19117 </conditional> | |
19118 <param name="in" value="OpenSwathFeatureXMLToTSV_input.featureXML"/> | |
19119 <param name="tr" value="OpenSwathFeatureXMLToTSV_input.TraML"/> | |
19120 <output name="out" file="OpenSwathFeatureXMLToTSV_output.short.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
19121 <param name="short_format" value="true"/> | |
19122 <param name="best_scoring_peptide" value=""/> | |
19123 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19124 <output name="ctd_out" ftype="xml"> | |
19125 <assert_contents> | |
19126 <is_valid_xml/> | |
19127 </assert_contents> | |
19128 </output> | |
19129 </test> | |
19130 <test expect_num_outputs="2"> | |
19131 <conditional name="adv_opts_cond"> | |
19132 <param name="adv_opts_selector" value="advanced"/> | |
19133 <param name="force" value="false"/> | |
19134 <param name="test" value="true"/> | |
19135 </conditional> | |
19136 <param name="in" value="OpenSwathFeatureXMLToTSV_input.featureXML"/> | |
19137 <param name="tr" value="OpenSwathFeatureXMLToTSV_input.TraML"/> | |
19138 <output name="out" file="OpenSwathFeatureXMLToTSV_output.long.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
19139 <param name="short_format" value="false"/> | |
19140 <param name="best_scoring_peptide" value=""/> | |
19141 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19142 <output name="ctd_out" ftype="xml"> | |
19143 <assert_contents> | |
19144 <is_valid_xml/> | |
19145 </assert_contents> | |
19146 </output> | |
19147 </test> | |
19148 <test expect_num_outputs="2"> | |
19149 <conditional name="adv_opts_cond"> | |
19150 <param name="adv_opts_selector" value="advanced"/> | |
19151 <param name="force" value="false"/> | |
19152 <param name="test" value="true"/> | |
19153 </conditional> | |
19154 <param name="in" value="OpenSwathFeatureXMLToTSV_input.featureXML"/> | |
19155 <param name="tr" value="OpenSwathFeatureXMLToTSV_input.TraML"/> | |
19156 <output name="out" file="OpenSwathFeatureXMLToTSV_3_output.short.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
19157 <param name="short_format" value="true"/> | |
19158 <param name="best_scoring_peptide" value="main_var_xx_lda_prelim_score"/> | |
19159 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19160 <output name="ctd_out" ftype="xml"> | |
19161 <assert_contents> | |
19162 <is_valid_xml/> | |
19163 </assert_contents> | |
19164 </output> | |
19165 </test> | |
19166 </xml> | |
19167 <xml name="autotest_OpenSwathFileSplitter"/> | |
19168 <xml name="autotest_OpenSwathMzMLFileCacher"> | |
19169 <test expect_num_outputs="2"> | |
19170 <conditional name="adv_opts_cond"> | |
19171 <param name="adv_opts_selector" value="advanced"/> | |
19172 <param name="lossy_mass_accuracy" value="-1.0"/> | |
19173 <param name="process_lowmemory" value="false"/> | |
19174 <param name="lowmem_batchsize" value="500"/> | |
19175 <param name="force" value="false"/> | |
19176 <param name="test" value="true"/> | |
19177 </conditional> | |
19178 <param name="in" value="OpenSwathMzMLFileCacher_1_input.mzML"/> | |
19179 <output name="out" file="OpenSwathMzMLFileCacher_1_input.cached.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19180 <param name="out_type" value="mzml"/> | |
19181 <param name="lossy_compression" value="true"/> | |
19182 <param name="full_meta" value="true"/> | |
19183 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19184 <output name="ctd_out" ftype="xml"> | |
19185 <assert_contents> | |
19186 <is_valid_xml/> | |
19187 </assert_contents> | |
19188 </output> | |
19189 </test> | |
19190 <test expect_num_outputs="2"> | |
19191 <conditional name="adv_opts_cond"> | |
19192 <param name="adv_opts_selector" value="advanced"/> | |
19193 <param name="lossy_mass_accuracy" value="-1.0"/> | |
19194 <param name="process_lowmemory" value="false"/> | |
19195 <param name="lowmem_batchsize" value="500"/> | |
19196 <param name="force" value="false"/> | |
19197 <param name="test" value="true"/> | |
19198 </conditional> | |
19199 <param name="in" value="OpenSwathMzMLFileCacher_2_input.chrom.mzML"/> | |
19200 <output name="out" file="OpenSwathMzMLFileCacher_2_input.chrom.cached.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19201 <param name="out_type" value="mzml"/> | |
19202 <param name="lossy_compression" value="true"/> | |
19203 <param name="full_meta" value="true"/> | |
19204 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19205 <output name="ctd_out" ftype="xml"> | |
19206 <assert_contents> | |
19207 <is_valid_xml/> | |
19208 </assert_contents> | |
19209 </output> | |
19210 </test> | |
19211 <test expect_num_outputs="2"> | |
19212 <conditional name="adv_opts_cond"> | |
19213 <param name="adv_opts_selector" value="advanced"/> | |
19214 <param name="lossy_mass_accuracy" value="0.0001"/> | |
19215 <param name="process_lowmemory" value="false"/> | |
19216 <param name="lowmem_batchsize" value="500"/> | |
19217 <param name="force" value="false"/> | |
19218 <param name="test" value="true"/> | |
19219 </conditional> | |
19220 <param name="in" value="OpenSwathMzMLFileCacher_1_input.mzML"/> | |
19221 <output name="out" file="OpenSwathMzMLFileCacher_3_input.tmp.sqMass" compare="sim_size" delta="5700" ftype="sqmass"/> | |
19222 <param name="out_type" value="sqmass"/> | |
19223 <param name="lossy_compression" value="true"/> | |
19224 <param name="full_meta" value="true"/> | |
19225 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19226 <output name="ctd_out" ftype="xml"> | |
19227 <assert_contents> | |
19228 <is_valid_xml/> | |
19229 </assert_contents> | |
19230 </output> | |
19231 </test> | |
19232 <test expect_num_outputs="2"> | |
19233 <conditional name="adv_opts_cond"> | |
19234 <param name="adv_opts_selector" value="advanced"/> | |
19235 <param name="lossy_mass_accuracy" value="-1.0"/> | |
19236 <param name="process_lowmemory" value="false"/> | |
19237 <param name="lowmem_batchsize" value="500"/> | |
19238 <param name="force" value="false"/> | |
19239 <param name="test" value="true"/> | |
19240 </conditional> | |
19241 <param name="in" value="OpenSwathMzMLFileCacher_3_input.tmp.sqMass"/> | |
19242 <output name="out" file="OpenSwathMzMLFileCacher_3_output.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19243 <param name="out_type" value="mzml"/> | |
19244 <param name="lossy_compression" value="true"/> | |
19245 <param name="full_meta" value="true"/> | |
19246 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19247 <output name="ctd_out" ftype="xml"> | |
19248 <assert_contents> | |
19249 <is_valid_xml/> | |
19250 </assert_contents> | |
19251 </output> | |
19252 </test> | |
19253 <test expect_num_outputs="2"> | |
19254 <conditional name="adv_opts_cond"> | |
19255 <param name="adv_opts_selector" value="advanced"/> | |
19256 <param name="lossy_mass_accuracy" value="-1.0"/> | |
19257 <param name="process_lowmemory" value="false"/> | |
19258 <param name="lowmem_batchsize" value="500"/> | |
19259 <param name="force" value="false"/> | |
19260 <param name="test" value="true"/> | |
19261 </conditional> | |
19262 <param name="in" value="OpenSwathMzMLFileCacher_2_input.chrom.mzML"/> | |
19263 <output name="out" file="OpenSwathMzMLFileCacher_4_input.tmp.sqMass" compare="sim_size" delta="5700" ftype="sqmass"/> | |
19264 <param name="out_type" value="sqmass"/> | |
19265 <param name="lossy_compression" value="true"/> | |
19266 <param name="full_meta" value="true"/> | |
19267 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19268 <output name="ctd_out" ftype="xml"> | |
19269 <assert_contents> | |
19270 <is_valid_xml/> | |
19271 </assert_contents> | |
19272 </output> | |
19273 </test> | |
19274 <test expect_num_outputs="2"> | |
19275 <conditional name="adv_opts_cond"> | |
19276 <param name="adv_opts_selector" value="advanced"/> | |
19277 <param name="lossy_mass_accuracy" value="-1.0"/> | |
19278 <param name="process_lowmemory" value="false"/> | |
19279 <param name="lowmem_batchsize" value="500"/> | |
19280 <param name="force" value="false"/> | |
19281 <param name="test" value="true"/> | |
19282 </conditional> | |
19283 <param name="in" value="OpenSwathMzMLFileCacher_4_input.tmp.sqMass"/> | |
19284 <output name="out" file="OpenSwathMzMLFileCacher_4_output.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19285 <param name="out_type" value="mzml"/> | |
19286 <param name="lossy_compression" value="true"/> | |
19287 <param name="full_meta" value="true"/> | |
19288 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19289 <output name="ctd_out" ftype="xml"> | |
19290 <assert_contents> | |
19291 <is_valid_xml/> | |
19292 </assert_contents> | |
19293 </output> | |
19294 </test> | |
19295 <test expect_num_outputs="2"> | |
19296 <conditional name="adv_opts_cond"> | |
19297 <param name="adv_opts_selector" value="advanced"/> | |
19298 <param name="lossy_mass_accuracy" value="-1.0"/> | |
19299 <param name="process_lowmemory" value="true"/> | |
19300 <param name="lowmem_batchsize" value="500"/> | |
19301 <param name="force" value="false"/> | |
19302 <param name="test" value="true"/> | |
19303 </conditional> | |
19304 <param name="in" value="OpenSwathMzMLFileCacher_1_input.mzML"/> | |
19305 <output name="out" file="OpenSwathMzMLFileCacher_1_input.cached.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19306 <param name="out_type" value="mzml"/> | |
19307 <param name="lossy_compression" value="true"/> | |
19308 <param name="full_meta" value="true"/> | |
19309 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19310 <output name="ctd_out" ftype="xml"> | |
19311 <assert_contents> | |
19312 <is_valid_xml/> | |
19313 </assert_contents> | |
19314 </output> | |
19315 </test> | |
19316 <test expect_num_outputs="2"> | |
19317 <conditional name="adv_opts_cond"> | |
19318 <param name="adv_opts_selector" value="advanced"/> | |
19319 <param name="lossy_mass_accuracy" value="-1.0"/> | |
19320 <param name="process_lowmemory" value="false"/> | |
19321 <param name="lowmem_batchsize" value="500"/> | |
19322 <param name="force" value="false"/> | |
19323 <param name="test" value="true"/> | |
19324 </conditional> | |
19325 <param name="in" value="OpenSwathAnalyzer_2_swathfile.mzML"/> | |
19326 <output name="out" file="OpenSwathAnalyzer_4_swathfile.mzML.cached.tmp" compare="sim_size" delta="5700"/> | |
19327 <param name="out_type" value="mzML"/> | |
19328 <param name="lossy_compression" value="true"/> | |
19329 <param name="full_meta" value="true"/> | |
19330 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19331 <output name="ctd_out" ftype="xml"> | |
19332 <assert_contents> | |
19333 <is_valid_xml/> | |
19334 </assert_contents> | |
19335 </output> | |
19336 </test> | |
19337 <test expect_num_outputs="2"> | |
19338 <conditional name="adv_opts_cond"> | |
19339 <param name="adv_opts_selector" value="advanced"/> | |
19340 <param name="lossy_mass_accuracy" value="-1.0"/> | |
19341 <param name="process_lowmemory" value="false"/> | |
19342 <param name="lowmem_batchsize" value="500"/> | |
19343 <param name="force" value="false"/> | |
19344 <param name="test" value="true"/> | |
19345 </conditional> | |
19346 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
19347 <output name="out" file="OpenSwathAnalyzer_4_input_chrom.mzML.cached.tmp" compare="sim_size" delta="5700"/> | |
19348 <param name="out_type" value="mzML"/> | |
19349 <param name="lossy_compression" value="true"/> | |
19350 <param name="full_meta" value="true"/> | |
19351 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19352 <output name="ctd_out" ftype="xml"> | |
19353 <assert_contents> | |
19354 <is_valid_xml/> | |
19355 </assert_contents> | |
19356 </output> | |
19357 </test> | |
19358 <test expect_num_outputs="2"> | |
19359 <conditional name="adv_opts_cond"> | |
19360 <param name="adv_opts_selector" value="advanced"/> | |
19361 <param name="lossy_mass_accuracy" value="0.0001"/> | |
19362 <param name="process_lowmemory" value="false"/> | |
19363 <param name="lowmem_batchsize" value="500"/> | |
19364 <param name="force" value="false"/> | |
19365 <param name="test" value="true"/> | |
19366 </conditional> | |
19367 <param name="in" value="OpenSwathWorkflow_14.chrom.tmp.sqMass"/> | |
19368 <output name="out" file="OpenSwathWorkflow_14.chrom.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19369 <param name="out_type" value="mzml"/> | |
19370 <param name="lossy_compression" value="false"/> | |
19371 <param name="full_meta" value="false"/> | |
19372 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19373 <output name="ctd_out" ftype="xml"> | |
19374 <assert_contents> | |
19375 <is_valid_xml/> | |
19376 </assert_contents> | |
19377 </output> | |
19378 </test> | |
19379 </xml> | |
19380 <xml name="autotest_OpenSwathRewriteToFeatureXML"> | |
19381 </xml> | |
19382 <xml name="autotest_OpenSwathRTNormalizer"> | |
19383 <test expect_num_outputs="2"> | |
19384 <conditional name="adv_opts_cond"> | |
19385 <param name="adv_opts_selector" value="advanced"/> | |
19386 <param name="force" value="false"/> | |
19387 <param name="test" value="true"/> | |
19388 </conditional> | |
19389 <param name="in" value="OpenSwathRTNormalizer_1_input.mzML"/> | |
19390 <param name="tr" value="OpenSwathRTNormalizer_1_input.TraML"/> | |
19391 <output name="out" file="OpenSwathRTNormalizer_1_output.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
19392 <param name="min_rsq" value="0.95"/> | |
19393 <param name="min_coverage" value="0.6"/> | |
19394 <param name="estimateBestPeptides" value="false"/> | |
19395 <section name="RTNormalization"> | |
19396 <param name="outlierMethod" value="iter_residual"/> | |
19397 <param name="useIterativeChauvenet" value="false"/> | |
19398 <param name="RANSACMaxIterations" value="1000"/> | |
19399 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19400 <param name="RANSACSamplingSize" value="10"/> | |
19401 </section> | |
19402 <section name="algorithm"> | |
19403 <param name="stop_report_after_feature" value="-1"/> | |
19404 <param name="rt_extraction_window" value="-1.0"/> | |
19405 <param name="rt_normalization_factor" value="1.0"/> | |
19406 <param name="quantification_cutoff" value="0.0"/> | |
19407 <param name="write_convex_hull" value="false"/> | |
19408 <param name="spectrum_addition_method" value="simple"/> | |
19409 <param name="add_up_spectra" value="1"/> | |
19410 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19411 <param name="uis_threshold_sn" value="-1"/> | |
19412 <param name="uis_threshold_peak_area" value="0"/> | |
19413 <param name="scoring_model" value="default"/> | |
19414 <param name="im_extra_drift" value="0.0"/> | |
19415 <param name="strict" value="true"/> | |
19416 <section name="TransitionGroupPicker"> | |
19417 <param name="stop_after_feature" value="-1"/> | |
19418 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
19419 <param name="min_peak_width" value="-1.0"/> | |
19420 <param name="peak_integration" value="original"/> | |
19421 <param name="background_subtraction" value="none"/> | |
19422 <param name="recalculate_peaks" value="false"/> | |
19423 <param name="use_precursors" value="false"/> | |
19424 <param name="use_consensus" value="true"/> | |
19425 <param name="recalculate_peaks_max_z" value="1.0"/> | |
19426 <param name="minimal_quality" value="-10000.0"/> | |
19427 <param name="resample_boundary" value="15.0"/> | |
19428 <param name="compute_peak_quality" value="false"/> | |
19429 <param name="compute_peak_shape_metrics" value="false"/> | |
19430 <param name="compute_total_mi" value="false"/> | |
19431 <param name="boundary_selection_method" value="largest"/> | |
19432 <section name="PeakPickerMRM"> | |
19433 <param name="sgolay_frame_length" value="15"/> | |
19434 <param name="sgolay_polynomial_order" value="3"/> | |
19435 <param name="gauss_width" value="50.0"/> | |
19436 <param name="use_gauss" value="true"/> | |
19437 <param name="peak_width" value="-1.0"/> | |
19438 <param name="signal_to_noise" value="1.0"/> | |
19439 <param name="sn_win_len" value="1000.0"/> | |
19440 <param name="sn_bin_count" value="30"/> | |
19441 <param name="write_sn_log_messages" value="false"/> | |
19442 <param name="remove_overlapping_peaks" value="false"/> | |
19443 <param name="method" value="corrected"/> | |
19444 </section> | |
19445 <section name="PeakIntegrator"> | |
19446 <param name="integration_type" value="intensity_sum"/> | |
19447 <param name="baseline_type" value="base_to_base"/> | |
19448 <param name="fit_EMG" value="false"/> | |
19449 </section> | |
19450 </section> | |
19451 <section name="DIAScoring"> | |
19452 <param name="dia_extraction_window" value="0.05"/> | |
19453 <param name="dia_extraction_unit" value="Th"/> | |
19454 <param name="dia_centroided" value="false"/> | |
19455 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19456 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19457 <param name="dia_nr_isotopes" value="4"/> | |
19458 <param name="dia_nr_charges" value="4"/> | |
19459 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19460 </section> | |
19461 <section name="EMGScoring"> | |
19462 <param name="interpolation_step" value="0.2"/> | |
19463 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
19464 <param name="max_iteration" value="500"/> | |
19465 <section name="statistics"> | |
19466 <param name="mean" value="1.0"/> | |
19467 <param name="variance" value="1.0"/> | |
19468 </section> | |
19469 </section> | |
19470 <section name="Scores"> | |
19471 <param name="use_shape_score" value="true"/> | |
19472 <param name="use_coelution_score" value="true"/> | |
19473 <param name="use_rt_score" value="true"/> | |
19474 <param name="use_library_score" value="true"/> | |
19475 <param name="use_elution_model_score" value="true"/> | |
19476 <param name="use_intensity_score" value="true"/> | |
19477 <param name="use_nr_peaks_score" value="true"/> | |
19478 <param name="use_total_xic_score" value="true"/> | |
19479 <param name="use_total_mi_score" value="false"/> | |
19480 <param name="use_sn_score" value="true"/> | |
19481 <param name="use_mi_score" value="false"/> | |
19482 <param name="use_dia_scores" value="true"/> | |
19483 <param name="use_ms1_correlation" value="false"/> | |
19484 <param name="use_sonar_scores" value="false"/> | |
19485 <param name="use_ion_mobility_scores" value="false"/> | |
19486 <param name="use_ms1_fullscan" value="false"/> | |
19487 <param name="use_ms1_mi" value="false"/> | |
19488 <param name="use_uis_scores" value="false"/> | |
19489 </section> | |
19490 </section> | |
19491 <section name="peptideEstimation"> | |
19492 <param name="InitialQualityCutoff" value="0.5"/> | |
19493 <param name="OverallQualityCutoff" value="5.5"/> | |
19494 <param name="NrRTBins" value="10"/> | |
19495 <param name="MinPeptidesPerBin" value="1"/> | |
19496 <param name="MinBinsFilled" value="8"/> | |
19497 </section> | |
19498 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19499 <output name="ctd_out" ftype="xml"> | |
19500 <assert_contents> | |
19501 <is_valid_xml/> | |
19502 </assert_contents> | |
19503 </output> | |
19504 </test> | |
19505 <test expect_num_outputs="2"> | |
19506 <conditional name="adv_opts_cond"> | |
19507 <param name="adv_opts_selector" value="advanced"/> | |
19508 <param name="force" value="false"/> | |
19509 <param name="test" value="true"/> | |
19510 </conditional> | |
19511 <param name="in" value="OpenSwathRTNormalizer_1_input.mzML"/> | |
19512 <param name="tr" value="OpenSwathRTNormalizer_1_input.TraML"/> | |
19513 <output name="out" file="OpenSwathRTNormalizer_3_output.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
19514 <param name="min_rsq" value="0.95"/> | |
19515 <param name="min_coverage" value="0.6"/> | |
19516 <param name="estimateBestPeptides" value="true"/> | |
19517 <section name="RTNormalization"> | |
19518 <param name="outlierMethod" value="iter_residual"/> | |
19519 <param name="useIterativeChauvenet" value="false"/> | |
19520 <param name="RANSACMaxIterations" value="1000"/> | |
19521 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19522 <param name="RANSACSamplingSize" value="10"/> | |
19523 </section> | |
19524 <section name="algorithm"> | |
19525 <param name="stop_report_after_feature" value="-1"/> | |
19526 <param name="rt_extraction_window" value="-1.0"/> | |
19527 <param name="rt_normalization_factor" value="1.0"/> | |
19528 <param name="quantification_cutoff" value="0.0"/> | |
19529 <param name="write_convex_hull" value="false"/> | |
19530 <param name="spectrum_addition_method" value="simple"/> | |
19531 <param name="add_up_spectra" value="1"/> | |
19532 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19533 <param name="uis_threshold_sn" value="-1"/> | |
19534 <param name="uis_threshold_peak_area" value="0"/> | |
19535 <param name="scoring_model" value="default"/> | |
19536 <param name="im_extra_drift" value="0.0"/> | |
19537 <param name="strict" value="true"/> | |
19538 <section name="TransitionGroupPicker"> | |
19539 <param name="stop_after_feature" value="-1"/> | |
19540 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
19541 <param name="min_peak_width" value="-1.0"/> | |
19542 <param name="peak_integration" value="original"/> | |
19543 <param name="background_subtraction" value="none"/> | |
19544 <param name="recalculate_peaks" value="false"/> | |
19545 <param name="use_precursors" value="false"/> | |
19546 <param name="use_consensus" value="true"/> | |
19547 <param name="recalculate_peaks_max_z" value="1.0"/> | |
19548 <param name="minimal_quality" value="-10000.0"/> | |
19549 <param name="resample_boundary" value="15.0"/> | |
19550 <param name="compute_peak_quality" value="false"/> | |
19551 <param name="compute_peak_shape_metrics" value="false"/> | |
19552 <param name="compute_total_mi" value="false"/> | |
19553 <param name="boundary_selection_method" value="largest"/> | |
19554 <section name="PeakPickerMRM"> | |
19555 <param name="sgolay_frame_length" value="15"/> | |
19556 <param name="sgolay_polynomial_order" value="3"/> | |
19557 <param name="gauss_width" value="50.0"/> | |
19558 <param name="use_gauss" value="true"/> | |
19559 <param name="peak_width" value="-1.0"/> | |
19560 <param name="signal_to_noise" value="1.0"/> | |
19561 <param name="sn_win_len" value="1000.0"/> | |
19562 <param name="sn_bin_count" value="30"/> | |
19563 <param name="write_sn_log_messages" value="false"/> | |
19564 <param name="remove_overlapping_peaks" value="false"/> | |
19565 <param name="method" value="corrected"/> | |
19566 </section> | |
19567 <section name="PeakIntegrator"> | |
19568 <param name="integration_type" value="intensity_sum"/> | |
19569 <param name="baseline_type" value="base_to_base"/> | |
19570 <param name="fit_EMG" value="false"/> | |
19571 </section> | |
19572 </section> | |
19573 <section name="DIAScoring"> | |
19574 <param name="dia_extraction_window" value="0.05"/> | |
19575 <param name="dia_extraction_unit" value="Th"/> | |
19576 <param name="dia_centroided" value="false"/> | |
19577 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19578 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19579 <param name="dia_nr_isotopes" value="4"/> | |
19580 <param name="dia_nr_charges" value="4"/> | |
19581 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19582 </section> | |
19583 <section name="EMGScoring"> | |
19584 <param name="interpolation_step" value="0.2"/> | |
19585 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
19586 <param name="max_iteration" value="500"/> | |
19587 <section name="statistics"> | |
19588 <param name="mean" value="1.0"/> | |
19589 <param name="variance" value="1.0"/> | |
19590 </section> | |
19591 </section> | |
19592 <section name="Scores"> | |
19593 <param name="use_shape_score" value="true"/> | |
19594 <param name="use_coelution_score" value="true"/> | |
19595 <param name="use_rt_score" value="true"/> | |
19596 <param name="use_library_score" value="true"/> | |
19597 <param name="use_elution_model_score" value="true"/> | |
19598 <param name="use_intensity_score" value="true"/> | |
19599 <param name="use_nr_peaks_score" value="true"/> | |
19600 <param name="use_total_xic_score" value="true"/> | |
19601 <param name="use_total_mi_score" value="false"/> | |
19602 <param name="use_sn_score" value="true"/> | |
19603 <param name="use_mi_score" value="false"/> | |
19604 <param name="use_dia_scores" value="true"/> | |
19605 <param name="use_ms1_correlation" value="false"/> | |
19606 <param name="use_sonar_scores" value="false"/> | |
19607 <param name="use_ion_mobility_scores" value="false"/> | |
19608 <param name="use_ms1_fullscan" value="false"/> | |
19609 <param name="use_ms1_mi" value="false"/> | |
19610 <param name="use_uis_scores" value="false"/> | |
19611 </section> | |
19612 </section> | |
19613 <section name="peptideEstimation"> | |
19614 <param name="InitialQualityCutoff" value="0.5"/> | |
19615 <param name="OverallQualityCutoff" value="5.5"/> | |
19616 <param name="NrRTBins" value="3"/> | |
19617 <param name="MinPeptidesPerBin" value="1"/> | |
19618 <param name="MinBinsFilled" value="3"/> | |
19619 </section> | |
19620 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19621 <output name="ctd_out" ftype="xml"> | |
19622 <assert_contents> | |
19623 <is_valid_xml/> | |
19624 </assert_contents> | |
19625 </output> | |
19626 </test> | |
19627 <test expect_num_outputs="2"> | |
19628 <conditional name="adv_opts_cond"> | |
19629 <param name="adv_opts_selector" value="advanced"/> | |
19630 <param name="force" value="false"/> | |
19631 <param name="test" value="true"/> | |
19632 </conditional> | |
19633 <param name="in" value="OpenSwathRTNormalizer_1_input.mzML"/> | |
19634 <param name="tr" value="OpenSwathRTNormalizer_1_input.TraML"/> | |
19635 <output name="out" file="OpenSwathRTNormalizer_4_output.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
19636 <param name="min_rsq" value="0.95"/> | |
19637 <param name="min_coverage" value="0.6"/> | |
19638 <param name="estimateBestPeptides" value="false"/> | |
19639 <section name="RTNormalization"> | |
19640 <param name="outlierMethod" value="iter_residual"/> | |
19641 <param name="useIterativeChauvenet" value="false"/> | |
19642 <param name="RANSACMaxIterations" value="1000"/> | |
19643 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19644 <param name="RANSACSamplingSize" value="10"/> | |
19645 </section> | |
19646 <section name="algorithm"> | |
19647 <param name="stop_report_after_feature" value="-1"/> | |
19648 <param name="rt_extraction_window" value="-1.0"/> | |
19649 <param name="rt_normalization_factor" value="1.0"/> | |
19650 <param name="quantification_cutoff" value="0.0"/> | |
19651 <param name="write_convex_hull" value="false"/> | |
19652 <param name="spectrum_addition_method" value="simple"/> | |
19653 <param name="add_up_spectra" value="1"/> | |
19654 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19655 <param name="uis_threshold_sn" value="-1"/> | |
19656 <param name="uis_threshold_peak_area" value="0"/> | |
19657 <param name="scoring_model" value="default"/> | |
19658 <param name="im_extra_drift" value="0.0"/> | |
19659 <param name="strict" value="true"/> | |
19660 <section name="TransitionGroupPicker"> | |
19661 <param name="stop_after_feature" value="-1"/> | |
19662 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
19663 <param name="min_peak_width" value="-1.0"/> | |
19664 <param name="peak_integration" value="original"/> | |
19665 <param name="background_subtraction" value="none"/> | |
19666 <param name="recalculate_peaks" value="false"/> | |
19667 <param name="use_precursors" value="false"/> | |
19668 <param name="use_consensus" value="true"/> | |
19669 <param name="recalculate_peaks_max_z" value="1.0"/> | |
19670 <param name="minimal_quality" value="-10000.0"/> | |
19671 <param name="resample_boundary" value="15.0"/> | |
19672 <param name="compute_peak_quality" value="false"/> | |
19673 <param name="compute_peak_shape_metrics" value="false"/> | |
19674 <param name="compute_total_mi" value="false"/> | |
19675 <param name="boundary_selection_method" value="largest"/> | |
19676 <section name="PeakPickerMRM"> | |
19677 <param name="sgolay_frame_length" value="15"/> | |
19678 <param name="sgolay_polynomial_order" value="3"/> | |
19679 <param name="gauss_width" value="50.0"/> | |
19680 <param name="use_gauss" value="true"/> | |
19681 <param name="peak_width" value="-1.0"/> | |
19682 <param name="signal_to_noise" value="1.0"/> | |
19683 <param name="sn_win_len" value="1000.0"/> | |
19684 <param name="sn_bin_count" value="30"/> | |
19685 <param name="write_sn_log_messages" value="false"/> | |
19686 <param name="remove_overlapping_peaks" value="false"/> | |
19687 <param name="method" value="corrected"/> | |
19688 </section> | |
19689 <section name="PeakIntegrator"> | |
19690 <param name="integration_type" value="intensity_sum"/> | |
19691 <param name="baseline_type" value="base_to_base"/> | |
19692 <param name="fit_EMG" value="false"/> | |
19693 </section> | |
19694 </section> | |
19695 <section name="DIAScoring"> | |
19696 <param name="dia_extraction_window" value="0.05"/> | |
19697 <param name="dia_extraction_unit" value="Th"/> | |
19698 <param name="dia_centroided" value="false"/> | |
19699 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19700 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19701 <param name="dia_nr_isotopes" value="4"/> | |
19702 <param name="dia_nr_charges" value="4"/> | |
19703 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19704 </section> | |
19705 <section name="EMGScoring"> | |
19706 <param name="interpolation_step" value="0.2"/> | |
19707 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
19708 <param name="max_iteration" value="500"/> | |
19709 <section name="statistics"> | |
19710 <param name="mean" value="1.0"/> | |
19711 <param name="variance" value="1.0"/> | |
19712 </section> | |
19713 </section> | |
19714 <section name="Scores"> | |
19715 <param name="use_shape_score" value="true"/> | |
19716 <param name="use_coelution_score" value="true"/> | |
19717 <param name="use_rt_score" value="true"/> | |
19718 <param name="use_library_score" value="true"/> | |
19719 <param name="use_elution_model_score" value="true"/> | |
19720 <param name="use_intensity_score" value="true"/> | |
19721 <param name="use_nr_peaks_score" value="true"/> | |
19722 <param name="use_total_xic_score" value="true"/> | |
19723 <param name="use_total_mi_score" value="false"/> | |
19724 <param name="use_sn_score" value="true"/> | |
19725 <param name="use_mi_score" value="false"/> | |
19726 <param name="use_dia_scores" value="true"/> | |
19727 <param name="use_ms1_correlation" value="false"/> | |
19728 <param name="use_sonar_scores" value="false"/> | |
19729 <param name="use_ion_mobility_scores" value="false"/> | |
19730 <param name="use_ms1_fullscan" value="false"/> | |
19731 <param name="use_ms1_mi" value="false"/> | |
19732 <param name="use_uis_scores" value="false"/> | |
19733 </section> | |
19734 </section> | |
19735 <section name="peptideEstimation"> | |
19736 <param name="InitialQualityCutoff" value="0.5"/> | |
19737 <param name="OverallQualityCutoff" value="5.5"/> | |
19738 <param name="NrRTBins" value="10"/> | |
19739 <param name="MinPeptidesPerBin" value="1"/> | |
19740 <param name="MinBinsFilled" value="8"/> | |
19741 </section> | |
19742 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
19743 <output name="ctd_out" ftype="xml"> | |
19744 <assert_contents> | |
19745 <is_valid_xml/> | |
19746 </assert_contents> | |
19747 </output> | |
19748 </test> | |
19749 </xml> | |
19750 <xml name="autotest_OpenSwathWorkflow"> | |
19751 <test expect_num_outputs="4"> | |
19752 <conditional name="adv_opts_cond"> | |
19753 <param name="adv_opts_selector" value="advanced"/> | |
19754 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
19755 <param name="sort_swath_maps" value="false"/> | |
19756 <param name="enable_ms1" value="false"/> | |
19757 <param name="enable_ipf" value="true"/> | |
19758 <param name="out_chrom_type" value="mzML"/> | |
19759 <param name="min_upper_edge_dist" value="0.0"/> | |
19760 <param name="extra_rt_extraction_window" value="0.0"/> | |
19761 <param name="mz_extraction_window_unit" value="ppm"/> | |
19762 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
19763 <param name="use_ms1_ion_mobility" value="true"/> | |
19764 <param name="matching_window_only" value="false"/> | |
19765 <param name="irt_mz_extraction_window" value="50.0"/> | |
19766 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
19767 <param name="irt_im_extraction_window" value="-1.0"/> | |
19768 <param name="min_rsq" value="0.95"/> | |
19769 <param name="min_coverage" value="0.6"/> | |
19770 <param name="split_file_input" value="false"/> | |
19771 <param name="use_elution_model_score" value="false"/> | |
19772 <param name="readOptions" value="normal"/> | |
19773 <param name="mz_correction_function" value="none"/> | |
19774 <param name="extraction_function" value="tophat"/> | |
19775 <param name="batchSize" value="1000"/> | |
19776 <param name="ms1_isotopes" value="3"/> | |
19777 <param name="force" value="false"/> | |
19778 <param name="test" value="false"/> | |
19779 </conditional> | |
19780 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
19781 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
19782 <param name="tr_type" value=""/> | |
19783 <output name="out_features" file="OpenSwathWorkflow_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
19784 <output name="out_chrom" file="OpenSwathWorkflow_1_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19785 <output name="out_qc" file="OpenSwathWorkflow_1_output.json" compare="sim_size" delta="5700" ftype="json"/> | |
19786 <param name="sonar" value="false"/> | |
19787 <param name="rt_extraction_window" value="600.0"/> | |
19788 <param name="ion_mobility_window" value="-1.0"/> | |
19789 <param name="mz_extraction_window" value="50.0"/> | |
19790 <param name="mz_extraction_window_ms1" value="50.0"/> | |
19791 <param name="im_extraction_window_ms1" value="-1.0"/> | |
19792 <section name="Debugging"/> | |
19793 <section name="Calibration"> | |
19794 <param name="ms1_im_calibration" value="false"/> | |
19795 <param name="im_correction_function" value="linear"/> | |
19796 <param name="debug_im_file" value=""/> | |
19797 <param name="debug_mz_file" value=""/> | |
19798 </section> | |
19799 <section name="Library"> | |
19800 <param name="retentionTimeInterpretation" value="iRT"/> | |
19801 <param name="override_group_label_check" value="false"/> | |
19802 <param name="force_invalid_mods" value="false"/> | |
19803 </section> | |
19804 <section name="RTNormalization"> | |
19805 <param name="alignmentMethod" value="linear"/> | |
19806 <param name="outlierMethod" value="iter_residual"/> | |
19807 <param name="useIterativeChauvenet" value="false"/> | |
19808 <param name="RANSACMaxIterations" value="1000"/> | |
19809 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19810 <param name="RANSACSamplingSize" value="10"/> | |
19811 <param name="estimateBestPeptides" value="false"/> | |
19812 <param name="InitialQualityCutoff" value="0.5"/> | |
19813 <param name="OverallQualityCutoff" value="5.5"/> | |
19814 <param name="NrRTBins" value="10"/> | |
19815 <param name="MinPeptidesPerBin" value="1"/> | |
19816 <param name="MinBinsFilled" value="8"/> | |
19817 <section name="lowess"> | |
19818 <param name="span" value="0.05"/> | |
19819 </section> | |
19820 <section name="b_spline"> | |
19821 <param name="num_nodes" value="5"/> | |
19822 </section> | |
19823 </section> | |
19824 <section name="Scoring"> | |
19825 <param name="stop_report_after_feature" value="5"/> | |
19826 <param name="rt_normalization_factor" value="100.0"/> | |
19827 <param name="quantification_cutoff" value="0.0"/> | |
19828 <param name="write_convex_hull" value="false"/> | |
19829 <param name="spectrum_addition_method" value="simple"/> | |
19830 <param name="add_up_spectra" value="1"/> | |
19831 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19832 <param name="uis_threshold_sn" value="-1"/> | |
19833 <param name="uis_threshold_peak_area" value="0"/> | |
19834 <param name="scoring_model" value="default"/> | |
19835 <param name="im_extra_drift" value="0.0"/> | |
19836 <param name="strict" value="true"/> | |
19837 <section name="TransitionGroupPicker"> | |
19838 <param name="stop_after_feature" value="-1"/> | |
19839 <param name="min_peak_width" value="-1.0"/> | |
19840 <param name="peak_integration" value="original"/> | |
19841 <param name="background_subtraction" value="none"/> | |
19842 <param name="recalculate_peaks" value="true"/> | |
19843 <param name="use_precursors" value="false"/> | |
19844 <param name="use_consensus" value="true"/> | |
19845 <param name="recalculate_peaks_max_z" value="0.75"/> | |
19846 <param name="minimal_quality" value="-1.5"/> | |
19847 <param name="resample_boundary" value="15.0"/> | |
19848 <param name="compute_peak_quality" value="false"/> | |
19849 <param name="compute_peak_shape_metrics" value="false"/> | |
19850 <param name="compute_total_mi" value="false"/> | |
19851 <param name="boundary_selection_method" value="largest"/> | |
19852 <section name="PeakPickerMRM"> | |
19853 <param name="sgolay_frame_length" value="11"/> | |
19854 <param name="sgolay_polynomial_order" value="3"/> | |
19855 <param name="gauss_width" value="30.0"/> | |
19856 <param name="use_gauss" value="false"/> | |
19857 <param name="peak_width" value="-1.0"/> | |
19858 <param name="signal_to_noise" value="0.1"/> | |
19859 <param name="write_sn_log_messages" value="false"/> | |
19860 <param name="remove_overlapping_peaks" value="true"/> | |
19861 <param name="method" value="corrected"/> | |
19862 </section> | |
19863 <section name="PeakIntegrator"> | |
19864 <param name="integration_type" value="intensity_sum"/> | |
19865 <param name="baseline_type" value="base_to_base"/> | |
19866 <param name="fit_EMG" value="false"/> | |
19867 </section> | |
19868 </section> | |
19869 <section name="DIAScoring"> | |
19870 <param name="dia_extraction_window" value="0.05"/> | |
19871 <param name="dia_extraction_unit" value="Th"/> | |
19872 <param name="dia_centroided" value="false"/> | |
19873 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19874 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19875 <param name="dia_nr_isotopes" value="4"/> | |
19876 <param name="dia_nr_charges" value="4"/> | |
19877 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19878 </section> | |
19879 <section name="EMGScoring"> | |
19880 <param name="max_iteration" value="10"/> | |
19881 </section> | |
19882 <section name="Scores"> | |
19883 <param name="use_shape_score" value="true"/> | |
19884 <param name="use_coelution_score" value="true"/> | |
19885 <param name="use_rt_score" value="true"/> | |
19886 <param name="use_library_score" value="true"/> | |
19887 <param name="use_intensity_score" value="true"/> | |
19888 <param name="use_nr_peaks_score" value="true"/> | |
19889 <param name="use_total_xic_score" value="true"/> | |
19890 <param name="use_total_mi_score" value="false"/> | |
19891 <param name="use_sn_score" value="true"/> | |
19892 <param name="use_mi_score" value="true"/> | |
19893 <param name="use_dia_scores" value="true"/> | |
19894 <param name="use_ms1_correlation" value="false"/> | |
19895 <param name="use_sonar_scores" value="false"/> | |
19896 <param name="use_ion_mobility_scores" value="false"/> | |
19897 <param name="use_ms1_fullscan" value="false"/> | |
19898 <param name="use_ms1_mi" value="true"/> | |
19899 <param name="use_uis_scores" value="false"/> | |
19900 </section> | |
19901 </section> | |
19902 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG,out_qc_FLAG"/> | |
19903 <output name="ctd_out" ftype="xml"> | |
19904 <assert_contents> | |
19905 <is_valid_xml/> | |
19906 </assert_contents> | |
19907 </output> | |
19908 </test> | |
19909 <test expect_num_outputs="3"> | |
19910 <conditional name="adv_opts_cond"> | |
19911 <param name="adv_opts_selector" value="advanced"/> | |
19912 <param name="rt_norm" value="OpenSwathWorkflow_2_input.trafoXML"/> | |
19913 <param name="sort_swath_maps" value="false"/> | |
19914 <param name="enable_ms1" value="false"/> | |
19915 <param name="enable_ipf" value="true"/> | |
19916 <param name="out_chrom_type" value="mzML"/> | |
19917 <param name="min_upper_edge_dist" value="0.0"/> | |
19918 <param name="extra_rt_extraction_window" value="0.0"/> | |
19919 <param name="mz_extraction_window_unit" value="ppm"/> | |
19920 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
19921 <param name="use_ms1_ion_mobility" value="true"/> | |
19922 <param name="matching_window_only" value="false"/> | |
19923 <param name="irt_mz_extraction_window" value="50.0"/> | |
19924 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
19925 <param name="irt_im_extraction_window" value="-1.0"/> | |
19926 <param name="min_rsq" value="0.95"/> | |
19927 <param name="min_coverage" value="0.6"/> | |
19928 <param name="split_file_input" value="false"/> | |
19929 <param name="use_elution_model_score" value="false"/> | |
19930 <param name="readOptions" value="normal"/> | |
19931 <param name="mz_correction_function" value="none"/> | |
19932 <param name="extraction_function" value="tophat"/> | |
19933 <param name="batchSize" value="1000"/> | |
19934 <param name="ms1_isotopes" value="3"/> | |
19935 <param name="force" value="false"/> | |
19936 <param name="test" value="false"/> | |
19937 </conditional> | |
19938 <param name="in" value="OpenSwathWorkflow_2_input.mzXML"/> | |
19939 <param name="tr" value="OpenSwathWorkflow_2_input.TraML"/> | |
19940 <param name="tr_type" value=""/> | |
19941 <output name="out_features" file="OpenSwathWorkflow_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
19942 <output name="out_chrom" file="OpenSwathWorkflow_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19943 <param name="sonar" value="false"/> | |
19944 <param name="rt_extraction_window" value="600.0"/> | |
19945 <param name="ion_mobility_window" value="-1.0"/> | |
19946 <param name="mz_extraction_window" value="50.0"/> | |
19947 <param name="mz_extraction_window_ms1" value="50.0"/> | |
19948 <param name="im_extraction_window_ms1" value="-1.0"/> | |
19949 <section name="Debugging"/> | |
19950 <section name="Calibration"> | |
19951 <param name="ms1_im_calibration" value="false"/> | |
19952 <param name="im_correction_function" value="linear"/> | |
19953 <param name="debug_im_file" value=""/> | |
19954 <param name="debug_mz_file" value=""/> | |
19955 </section> | |
19956 <section name="Library"> | |
19957 <param name="retentionTimeInterpretation" value="iRT"/> | |
19958 <param name="override_group_label_check" value="false"/> | |
19959 <param name="force_invalid_mods" value="false"/> | |
19960 </section> | |
19961 <section name="RTNormalization"> | |
19962 <param name="alignmentMethod" value="linear"/> | |
19963 <param name="outlierMethod" value="iter_residual"/> | |
19964 <param name="useIterativeChauvenet" value="false"/> | |
19965 <param name="RANSACMaxIterations" value="1000"/> | |
19966 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19967 <param name="RANSACSamplingSize" value="10"/> | |
19968 <param name="estimateBestPeptides" value="false"/> | |
19969 <param name="InitialQualityCutoff" value="0.5"/> | |
19970 <param name="OverallQualityCutoff" value="5.5"/> | |
19971 <param name="NrRTBins" value="10"/> | |
19972 <param name="MinPeptidesPerBin" value="1"/> | |
19973 <param name="MinBinsFilled" value="8"/> | |
19974 <section name="lowess"> | |
19975 <param name="span" value="0.05"/> | |
19976 </section> | |
19977 <section name="b_spline"> | |
19978 <param name="num_nodes" value="5"/> | |
19979 </section> | |
19980 </section> | |
19981 <section name="Scoring"> | |
19982 <param name="stop_report_after_feature" value="5"/> | |
19983 <param name="rt_normalization_factor" value="100.0"/> | |
19984 <param name="quantification_cutoff" value="0.0"/> | |
19985 <param name="write_convex_hull" value="false"/> | |
19986 <param name="spectrum_addition_method" value="simple"/> | |
19987 <param name="add_up_spectra" value="1"/> | |
19988 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19989 <param name="uis_threshold_sn" value="-1"/> | |
19990 <param name="uis_threshold_peak_area" value="0"/> | |
19991 <param name="scoring_model" value="default"/> | |
19992 <param name="im_extra_drift" value="0.0"/> | |
19993 <param name="strict" value="true"/> | |
19994 <section name="TransitionGroupPicker"> | |
19995 <param name="stop_after_feature" value="-1"/> | |
19996 <param name="min_peak_width" value="-1.0"/> | |
19997 <param name="peak_integration" value="original"/> | |
19998 <param name="background_subtraction" value="none"/> | |
19999 <param name="recalculate_peaks" value="true"/> | |
20000 <param name="use_precursors" value="false"/> | |
20001 <param name="use_consensus" value="true"/> | |
20002 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20003 <param name="minimal_quality" value="-1.5"/> | |
20004 <param name="resample_boundary" value="15.0"/> | |
20005 <param name="compute_peak_quality" value="false"/> | |
20006 <param name="compute_peak_shape_metrics" value="false"/> | |
20007 <param name="compute_total_mi" value="false"/> | |
20008 <param name="boundary_selection_method" value="largest"/> | |
20009 <section name="PeakPickerMRM"> | |
20010 <param name="sgolay_frame_length" value="11"/> | |
20011 <param name="sgolay_polynomial_order" value="3"/> | |
20012 <param name="gauss_width" value="30.0"/> | |
20013 <param name="use_gauss" value="false"/> | |
20014 <param name="peak_width" value="-1.0"/> | |
20015 <param name="signal_to_noise" value="0.1"/> | |
20016 <param name="write_sn_log_messages" value="false"/> | |
20017 <param name="remove_overlapping_peaks" value="true"/> | |
20018 <param name="method" value="corrected"/> | |
20019 </section> | |
20020 <section name="PeakIntegrator"> | |
20021 <param name="integration_type" value="intensity_sum"/> | |
20022 <param name="baseline_type" value="base_to_base"/> | |
20023 <param name="fit_EMG" value="false"/> | |
20024 </section> | |
20025 </section> | |
20026 <section name="DIAScoring"> | |
20027 <param name="dia_extraction_window" value="0.05"/> | |
20028 <param name="dia_extraction_unit" value="Th"/> | |
20029 <param name="dia_centroided" value="false"/> | |
20030 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20031 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20032 <param name="dia_nr_isotopes" value="4"/> | |
20033 <param name="dia_nr_charges" value="4"/> | |
20034 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20035 </section> | |
20036 <section name="EMGScoring"> | |
20037 <param name="max_iteration" value="10"/> | |
20038 </section> | |
20039 <section name="Scores"> | |
20040 <param name="use_shape_score" value="true"/> | |
20041 <param name="use_coelution_score" value="true"/> | |
20042 <param name="use_rt_score" value="true"/> | |
20043 <param name="use_library_score" value="true"/> | |
20044 <param name="use_intensity_score" value="true"/> | |
20045 <param name="use_nr_peaks_score" value="true"/> | |
20046 <param name="use_total_xic_score" value="true"/> | |
20047 <param name="use_total_mi_score" value="false"/> | |
20048 <param name="use_sn_score" value="true"/> | |
20049 <param name="use_mi_score" value="true"/> | |
20050 <param name="use_dia_scores" value="true"/> | |
20051 <param name="use_ms1_correlation" value="false"/> | |
20052 <param name="use_sonar_scores" value="false"/> | |
20053 <param name="use_ion_mobility_scores" value="false"/> | |
20054 <param name="use_ms1_fullscan" value="false"/> | |
20055 <param name="use_ms1_mi" value="true"/> | |
20056 <param name="use_uis_scores" value="false"/> | |
20057 </section> | |
20058 </section> | |
20059 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20060 <output name="ctd_out" ftype="xml"> | |
20061 <assert_contents> | |
20062 <is_valid_xml/> | |
20063 </assert_contents> | |
20064 </output> | |
20065 </test> | |
20066 <test expect_num_outputs="3"> | |
20067 <conditional name="adv_opts_cond"> | |
20068 <param name="adv_opts_selector" value="advanced"/> | |
20069 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20070 <param name="sort_swath_maps" value="false"/> | |
20071 <param name="enable_ms1" value="true"/> | |
20072 <param name="enable_ipf" value="true"/> | |
20073 <param name="out_chrom_type" value="mzML"/> | |
20074 <param name="min_upper_edge_dist" value="0.0"/> | |
20075 <param name="extra_rt_extraction_window" value="0.0"/> | |
20076 <param name="mz_extraction_window_unit" value="ppm"/> | |
20077 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
20078 <param name="use_ms1_ion_mobility" value="true"/> | |
20079 <param name="matching_window_only" value="false"/> | |
20080 <param name="irt_mz_extraction_window" value="50.0"/> | |
20081 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
20082 <param name="irt_im_extraction_window" value="-1.0"/> | |
20083 <param name="min_rsq" value="0.95"/> | |
20084 <param name="min_coverage" value="0.6"/> | |
20085 <param name="split_file_input" value="false"/> | |
20086 <param name="use_elution_model_score" value="false"/> | |
20087 <param name="readOptions" value="normal"/> | |
20088 <param name="mz_correction_function" value="none"/> | |
20089 <param name="extraction_function" value="tophat"/> | |
20090 <param name="batchSize" value="1000"/> | |
20091 <param name="ms1_isotopes" value="3"/> | |
20092 <param name="force" value="false"/> | |
20093 <param name="test" value="false"/> | |
20094 </conditional> | |
20095 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
20096 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
20097 <param name="tr_type" value=""/> | |
20098 <output name="out_features" file="OpenSwathWorkflow_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20099 <output name="out_chrom" file="OpenSwathWorkflow_3_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
20100 <param name="sonar" value="false"/> | |
20101 <param name="rt_extraction_window" value="600.0"/> | |
20102 <param name="ion_mobility_window" value="-1.0"/> | |
20103 <param name="mz_extraction_window" value="50.0"/> | |
20104 <param name="mz_extraction_window_ms1" value="50.0"/> | |
20105 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20106 <section name="Debugging"/> | |
20107 <section name="Calibration"> | |
20108 <param name="ms1_im_calibration" value="false"/> | |
20109 <param name="im_correction_function" value="linear"/> | |
20110 <param name="debug_im_file" value=""/> | |
20111 <param name="debug_mz_file" value=""/> | |
20112 </section> | |
20113 <section name="Library"> | |
20114 <param name="retentionTimeInterpretation" value="iRT"/> | |
20115 <param name="override_group_label_check" value="false"/> | |
20116 <param name="force_invalid_mods" value="false"/> | |
20117 </section> | |
20118 <section name="RTNormalization"> | |
20119 <param name="alignmentMethod" value="linear"/> | |
20120 <param name="outlierMethod" value="iter_residual"/> | |
20121 <param name="useIterativeChauvenet" value="false"/> | |
20122 <param name="RANSACMaxIterations" value="1000"/> | |
20123 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20124 <param name="RANSACSamplingSize" value="10"/> | |
20125 <param name="estimateBestPeptides" value="false"/> | |
20126 <param name="InitialQualityCutoff" value="0.5"/> | |
20127 <param name="OverallQualityCutoff" value="5.5"/> | |
20128 <param name="NrRTBins" value="10"/> | |
20129 <param name="MinPeptidesPerBin" value="1"/> | |
20130 <param name="MinBinsFilled" value="8"/> | |
20131 <section name="lowess"> | |
20132 <param name="span" value="0.05"/> | |
20133 </section> | |
20134 <section name="b_spline"> | |
20135 <param name="num_nodes" value="5"/> | |
20136 </section> | |
20137 </section> | |
20138 <section name="Scoring"> | |
20139 <param name="stop_report_after_feature" value="5"/> | |
20140 <param name="rt_normalization_factor" value="100.0"/> | |
20141 <param name="quantification_cutoff" value="0.0"/> | |
20142 <param name="write_convex_hull" value="false"/> | |
20143 <param name="spectrum_addition_method" value="simple"/> | |
20144 <param name="add_up_spectra" value="1"/> | |
20145 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20146 <param name="uis_threshold_sn" value="-1"/> | |
20147 <param name="uis_threshold_peak_area" value="0"/> | |
20148 <param name="scoring_model" value="default"/> | |
20149 <param name="im_extra_drift" value="0.0"/> | |
20150 <param name="strict" value="true"/> | |
20151 <section name="TransitionGroupPicker"> | |
20152 <param name="stop_after_feature" value="-1"/> | |
20153 <param name="min_peak_width" value="-1.0"/> | |
20154 <param name="peak_integration" value="original"/> | |
20155 <param name="background_subtraction" value="none"/> | |
20156 <param name="recalculate_peaks" value="true"/> | |
20157 <param name="use_precursors" value="false"/> | |
20158 <param name="use_consensus" value="true"/> | |
20159 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20160 <param name="minimal_quality" value="-1.5"/> | |
20161 <param name="resample_boundary" value="15.0"/> | |
20162 <param name="compute_peak_quality" value="false"/> | |
20163 <param name="compute_peak_shape_metrics" value="false"/> | |
20164 <param name="compute_total_mi" value="false"/> | |
20165 <param name="boundary_selection_method" value="largest"/> | |
20166 <section name="PeakPickerMRM"> | |
20167 <param name="sgolay_frame_length" value="11"/> | |
20168 <param name="sgolay_polynomial_order" value="3"/> | |
20169 <param name="gauss_width" value="30.0"/> | |
20170 <param name="use_gauss" value="false"/> | |
20171 <param name="peak_width" value="-1.0"/> | |
20172 <param name="signal_to_noise" value="0.1"/> | |
20173 <param name="write_sn_log_messages" value="false"/> | |
20174 <param name="remove_overlapping_peaks" value="true"/> | |
20175 <param name="method" value="corrected"/> | |
20176 </section> | |
20177 <section name="PeakIntegrator"> | |
20178 <param name="integration_type" value="intensity_sum"/> | |
20179 <param name="baseline_type" value="base_to_base"/> | |
20180 <param name="fit_EMG" value="false"/> | |
20181 </section> | |
20182 </section> | |
20183 <section name="DIAScoring"> | |
20184 <param name="dia_extraction_window" value="0.05"/> | |
20185 <param name="dia_extraction_unit" value="Th"/> | |
20186 <param name="dia_centroided" value="false"/> | |
20187 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20188 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20189 <param name="dia_nr_isotopes" value="4"/> | |
20190 <param name="dia_nr_charges" value="4"/> | |
20191 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20192 </section> | |
20193 <section name="EMGScoring"> | |
20194 <param name="max_iteration" value="10"/> | |
20195 </section> | |
20196 <section name="Scores"> | |
20197 <param name="use_shape_score" value="true"/> | |
20198 <param name="use_coelution_score" value="true"/> | |
20199 <param name="use_rt_score" value="true"/> | |
20200 <param name="use_library_score" value="true"/> | |
20201 <param name="use_intensity_score" value="true"/> | |
20202 <param name="use_nr_peaks_score" value="true"/> | |
20203 <param name="use_total_xic_score" value="true"/> | |
20204 <param name="use_total_mi_score" value="false"/> | |
20205 <param name="use_sn_score" value="true"/> | |
20206 <param name="use_mi_score" value="true"/> | |
20207 <param name="use_dia_scores" value="true"/> | |
20208 <param name="use_ms1_correlation" value="false"/> | |
20209 <param name="use_sonar_scores" value="false"/> | |
20210 <param name="use_ion_mobility_scores" value="false"/> | |
20211 <param name="use_ms1_fullscan" value="false"/> | |
20212 <param name="use_ms1_mi" value="true"/> | |
20213 <param name="use_uis_scores" value="false"/> | |
20214 </section> | |
20215 </section> | |
20216 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20217 <output name="ctd_out" ftype="xml"> | |
20218 <assert_contents> | |
20219 <is_valid_xml/> | |
20220 </assert_contents> | |
20221 </output> | |
20222 </test> | |
20223 <test expect_num_outputs="3"> | |
20224 <conditional name="adv_opts_cond"> | |
20225 <param name="adv_opts_selector" value="advanced"/> | |
20226 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20227 <param name="sort_swath_maps" value="false"/> | |
20228 <param name="enable_ms1" value="true"/> | |
20229 <param name="enable_ipf" value="true"/> | |
20230 <param name="out_chrom_type" value="mzML"/> | |
20231 <param name="min_upper_edge_dist" value="0.0"/> | |
20232 <param name="extra_rt_extraction_window" value="0.0"/> | |
20233 <param name="mz_extraction_window_unit" value="ppm"/> | |
20234 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
20235 <param name="use_ms1_ion_mobility" value="true"/> | |
20236 <param name="matching_window_only" value="false"/> | |
20237 <param name="irt_mz_extraction_window" value="50.0"/> | |
20238 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
20239 <param name="irt_im_extraction_window" value="-1.0"/> | |
20240 <param name="min_rsq" value="0.95"/> | |
20241 <param name="min_coverage" value="0.6"/> | |
20242 <param name="split_file_input" value="false"/> | |
20243 <param name="use_elution_model_score" value="false"/> | |
20244 <param name="readOptions" value="normal"/> | |
20245 <param name="mz_correction_function" value="none"/> | |
20246 <param name="extraction_function" value="tophat"/> | |
20247 <param name="batchSize" value="1000"/> | |
20248 <param name="ms1_isotopes" value="3"/> | |
20249 <param name="force" value="false"/> | |
20250 <param name="test" value="false"/> | |
20251 </conditional> | |
20252 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
20253 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
20254 <param name="tr_type" value=""/> | |
20255 <output name="out_tsv" file="OpenSwathWorkflow_4.tsv.tmp" compare="sim_size" delta="5700" ftype="tabular"/> | |
20256 <output name="out_chrom" file="OpenSwathWorkflow_4.chrom.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
20257 <param name="sonar" value="false"/> | |
20258 <param name="rt_extraction_window" value="600.0"/> | |
20259 <param name="ion_mobility_window" value="-1.0"/> | |
20260 <param name="mz_extraction_window" value="50.0"/> | |
20261 <param name="mz_extraction_window_ms1" value="50.0"/> | |
20262 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20263 <section name="Debugging"/> | |
20264 <section name="Calibration"> | |
20265 <param name="ms1_im_calibration" value="false"/> | |
20266 <param name="im_correction_function" value="linear"/> | |
20267 <param name="debug_im_file" value=""/> | |
20268 <param name="debug_mz_file" value=""/> | |
20269 </section> | |
20270 <section name="Library"> | |
20271 <param name="retentionTimeInterpretation" value="iRT"/> | |
20272 <param name="override_group_label_check" value="false"/> | |
20273 <param name="force_invalid_mods" value="false"/> | |
20274 </section> | |
20275 <section name="RTNormalization"> | |
20276 <param name="alignmentMethod" value="linear"/> | |
20277 <param name="outlierMethod" value="iter_residual"/> | |
20278 <param name="useIterativeChauvenet" value="false"/> | |
20279 <param name="RANSACMaxIterations" value="1000"/> | |
20280 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20281 <param name="RANSACSamplingSize" value="10"/> | |
20282 <param name="estimateBestPeptides" value="false"/> | |
20283 <param name="InitialQualityCutoff" value="0.5"/> | |
20284 <param name="OverallQualityCutoff" value="5.5"/> | |
20285 <param name="NrRTBins" value="10"/> | |
20286 <param name="MinPeptidesPerBin" value="1"/> | |
20287 <param name="MinBinsFilled" value="8"/> | |
20288 <section name="lowess"> | |
20289 <param name="span" value="0.05"/> | |
20290 </section> | |
20291 <section name="b_spline"> | |
20292 <param name="num_nodes" value="5"/> | |
20293 </section> | |
20294 </section> | |
20295 <section name="Scoring"> | |
20296 <param name="stop_report_after_feature" value="5"/> | |
20297 <param name="rt_normalization_factor" value="100.0"/> | |
20298 <param name="quantification_cutoff" value="0.0"/> | |
20299 <param name="write_convex_hull" value="false"/> | |
20300 <param name="spectrum_addition_method" value="simple"/> | |
20301 <param name="add_up_spectra" value="1"/> | |
20302 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20303 <param name="uis_threshold_sn" value="-1"/> | |
20304 <param name="uis_threshold_peak_area" value="0"/> | |
20305 <param name="scoring_model" value="default"/> | |
20306 <param name="im_extra_drift" value="0.0"/> | |
20307 <param name="strict" value="true"/> | |
20308 <section name="TransitionGroupPicker"> | |
20309 <param name="stop_after_feature" value="-1"/> | |
20310 <param name="min_peak_width" value="-1.0"/> | |
20311 <param name="peak_integration" value="original"/> | |
20312 <param name="background_subtraction" value="none"/> | |
20313 <param name="recalculate_peaks" value="true"/> | |
20314 <param name="use_precursors" value="false"/> | |
20315 <param name="use_consensus" value="true"/> | |
20316 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20317 <param name="minimal_quality" value="-1.5"/> | |
20318 <param name="resample_boundary" value="15.0"/> | |
20319 <param name="compute_peak_quality" value="false"/> | |
20320 <param name="compute_peak_shape_metrics" value="false"/> | |
20321 <param name="compute_total_mi" value="false"/> | |
20322 <param name="boundary_selection_method" value="largest"/> | |
20323 <section name="PeakPickerMRM"> | |
20324 <param name="sgolay_frame_length" value="11"/> | |
20325 <param name="sgolay_polynomial_order" value="3"/> | |
20326 <param name="gauss_width" value="30.0"/> | |
20327 <param name="use_gauss" value="false"/> | |
20328 <param name="peak_width" value="-1.0"/> | |
20329 <param name="signal_to_noise" value="0.1"/> | |
20330 <param name="write_sn_log_messages" value="false"/> | |
20331 <param name="remove_overlapping_peaks" value="true"/> | |
20332 <param name="method" value="corrected"/> | |
20333 </section> | |
20334 <section name="PeakIntegrator"> | |
20335 <param name="integration_type" value="intensity_sum"/> | |
20336 <param name="baseline_type" value="base_to_base"/> | |
20337 <param name="fit_EMG" value="false"/> | |
20338 </section> | |
20339 </section> | |
20340 <section name="DIAScoring"> | |
20341 <param name="dia_extraction_window" value="0.05"/> | |
20342 <param name="dia_extraction_unit" value="Th"/> | |
20343 <param name="dia_centroided" value="false"/> | |
20344 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20345 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20346 <param name="dia_nr_isotopes" value="4"/> | |
20347 <param name="dia_nr_charges" value="4"/> | |
20348 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20349 </section> | |
20350 <section name="EMGScoring"> | |
20351 <param name="max_iteration" value="10"/> | |
20352 </section> | |
20353 <section name="Scores"> | |
20354 <param name="use_shape_score" value="true"/> | |
20355 <param name="use_coelution_score" value="true"/> | |
20356 <param name="use_rt_score" value="true"/> | |
20357 <param name="use_library_score" value="true"/> | |
20358 <param name="use_intensity_score" value="true"/> | |
20359 <param name="use_nr_peaks_score" value="true"/> | |
20360 <param name="use_total_xic_score" value="true"/> | |
20361 <param name="use_total_mi_score" value="false"/> | |
20362 <param name="use_sn_score" value="true"/> | |
20363 <param name="use_mi_score" value="true"/> | |
20364 <param name="use_dia_scores" value="true"/> | |
20365 <param name="use_ms1_correlation" value="false"/> | |
20366 <param name="use_sonar_scores" value="false"/> | |
20367 <param name="use_ion_mobility_scores" value="false"/> | |
20368 <param name="use_ms1_fullscan" value="false"/> | |
20369 <param name="use_ms1_mi" value="true"/> | |
20370 <param name="use_uis_scores" value="false"/> | |
20371 </section> | |
20372 </section> | |
20373 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_tsv_FLAG,out_chrom_FLAG"/> | |
20374 <output name="ctd_out" ftype="xml"> | |
20375 <assert_contents> | |
20376 <is_valid_xml/> | |
20377 </assert_contents> | |
20378 </output> | |
20379 </test> | |
20380 <test expect_num_outputs="3"> | |
20381 <conditional name="adv_opts_cond"> | |
20382 <param name="adv_opts_selector" value="advanced"/> | |
20383 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20384 <param name="sort_swath_maps" value="false"/> | |
20385 <param name="enable_ms1" value="true"/> | |
20386 <param name="enable_ipf" value="true"/> | |
20387 <param name="out_chrom_type" value="mzML"/> | |
20388 <param name="min_upper_edge_dist" value="0.0"/> | |
20389 <param name="extra_rt_extraction_window" value="0.0"/> | |
20390 <param name="mz_extraction_window_unit" value="ppm"/> | |
20391 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
20392 <param name="use_ms1_ion_mobility" value="true"/> | |
20393 <param name="matching_window_only" value="false"/> | |
20394 <param name="irt_mz_extraction_window" value="50.0"/> | |
20395 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
20396 <param name="irt_im_extraction_window" value="-1.0"/> | |
20397 <param name="min_rsq" value="0.95"/> | |
20398 <param name="min_coverage" value="0.6"/> | |
20399 <param name="split_file_input" value="false"/> | |
20400 <param name="use_elution_model_score" value="false"/> | |
20401 <param name="readOptions" value="cache"/> | |
20402 <param name="mz_correction_function" value="none"/> | |
20403 <param name="extraction_function" value="tophat"/> | |
20404 <param name="batchSize" value="1000"/> | |
20405 <param name="ms1_isotopes" value="3"/> | |
20406 <param name="force" value="false"/> | |
20407 <param name="test" value="false"/> | |
20408 </conditional> | |
20409 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
20410 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
20411 <param name="tr_type" value=""/> | |
20412 <output name="out_features" file="OpenSwathWorkflow_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20413 <output name="out_chrom" file="OpenSwathWorkflow_3_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
20414 <param name="sonar" value="false"/> | |
20415 <param name="rt_extraction_window" value="600.0"/> | |
20416 <param name="ion_mobility_window" value="-1.0"/> | |
20417 <param name="mz_extraction_window" value="50.0"/> | |
20418 <param name="mz_extraction_window_ms1" value="50.0"/> | |
20419 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20420 <section name="Debugging"/> | |
20421 <section name="Calibration"> | |
20422 <param name="ms1_im_calibration" value="false"/> | |
20423 <param name="im_correction_function" value="linear"/> | |
20424 <param name="debug_im_file" value=""/> | |
20425 <param name="debug_mz_file" value=""/> | |
20426 </section> | |
20427 <section name="Library"> | |
20428 <param name="retentionTimeInterpretation" value="iRT"/> | |
20429 <param name="override_group_label_check" value="false"/> | |
20430 <param name="force_invalid_mods" value="false"/> | |
20431 </section> | |
20432 <section name="RTNormalization"> | |
20433 <param name="alignmentMethod" value="linear"/> | |
20434 <param name="outlierMethod" value="iter_residual"/> | |
20435 <param name="useIterativeChauvenet" value="false"/> | |
20436 <param name="RANSACMaxIterations" value="1000"/> | |
20437 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20438 <param name="RANSACSamplingSize" value="10"/> | |
20439 <param name="estimateBestPeptides" value="false"/> | |
20440 <param name="InitialQualityCutoff" value="0.5"/> | |
20441 <param name="OverallQualityCutoff" value="5.5"/> | |
20442 <param name="NrRTBins" value="10"/> | |
20443 <param name="MinPeptidesPerBin" value="1"/> | |
20444 <param name="MinBinsFilled" value="8"/> | |
20445 <section name="lowess"> | |
20446 <param name="span" value="0.05"/> | |
20447 </section> | |
20448 <section name="b_spline"> | |
20449 <param name="num_nodes" value="5"/> | |
20450 </section> | |
20451 </section> | |
20452 <section name="Scoring"> | |
20453 <param name="stop_report_after_feature" value="5"/> | |
20454 <param name="rt_normalization_factor" value="100.0"/> | |
20455 <param name="quantification_cutoff" value="0.0"/> | |
20456 <param name="write_convex_hull" value="false"/> | |
20457 <param name="spectrum_addition_method" value="simple"/> | |
20458 <param name="add_up_spectra" value="1"/> | |
20459 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20460 <param name="uis_threshold_sn" value="-1"/> | |
20461 <param name="uis_threshold_peak_area" value="0"/> | |
20462 <param name="scoring_model" value="default"/> | |
20463 <param name="im_extra_drift" value="0.0"/> | |
20464 <param name="strict" value="true"/> | |
20465 <section name="TransitionGroupPicker"> | |
20466 <param name="stop_after_feature" value="-1"/> | |
20467 <param name="min_peak_width" value="-1.0"/> | |
20468 <param name="peak_integration" value="original"/> | |
20469 <param name="background_subtraction" value="none"/> | |
20470 <param name="recalculate_peaks" value="true"/> | |
20471 <param name="use_precursors" value="false"/> | |
20472 <param name="use_consensus" value="true"/> | |
20473 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20474 <param name="minimal_quality" value="-1.5"/> | |
20475 <param name="resample_boundary" value="15.0"/> | |
20476 <param name="compute_peak_quality" value="false"/> | |
20477 <param name="compute_peak_shape_metrics" value="false"/> | |
20478 <param name="compute_total_mi" value="false"/> | |
20479 <param name="boundary_selection_method" value="largest"/> | |
20480 <section name="PeakPickerMRM"> | |
20481 <param name="sgolay_frame_length" value="11"/> | |
20482 <param name="sgolay_polynomial_order" value="3"/> | |
20483 <param name="gauss_width" value="30.0"/> | |
20484 <param name="use_gauss" value="false"/> | |
20485 <param name="peak_width" value="-1.0"/> | |
20486 <param name="signal_to_noise" value="0.1"/> | |
20487 <param name="write_sn_log_messages" value="false"/> | |
20488 <param name="remove_overlapping_peaks" value="true"/> | |
20489 <param name="method" value="corrected"/> | |
20490 </section> | |
20491 <section name="PeakIntegrator"> | |
20492 <param name="integration_type" value="intensity_sum"/> | |
20493 <param name="baseline_type" value="base_to_base"/> | |
20494 <param name="fit_EMG" value="false"/> | |
20495 </section> | |
20496 </section> | |
20497 <section name="DIAScoring"> | |
20498 <param name="dia_extraction_window" value="0.05"/> | |
20499 <param name="dia_extraction_unit" value="Th"/> | |
20500 <param name="dia_centroided" value="false"/> | |
20501 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20502 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20503 <param name="dia_nr_isotopes" value="4"/> | |
20504 <param name="dia_nr_charges" value="4"/> | |
20505 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20506 </section> | |
20507 <section name="EMGScoring"> | |
20508 <param name="max_iteration" value="10"/> | |
20509 </section> | |
20510 <section name="Scores"> | |
20511 <param name="use_shape_score" value="true"/> | |
20512 <param name="use_coelution_score" value="true"/> | |
20513 <param name="use_rt_score" value="true"/> | |
20514 <param name="use_library_score" value="true"/> | |
20515 <param name="use_intensity_score" value="true"/> | |
20516 <param name="use_nr_peaks_score" value="true"/> | |
20517 <param name="use_total_xic_score" value="true"/> | |
20518 <param name="use_total_mi_score" value="false"/> | |
20519 <param name="use_sn_score" value="true"/> | |
20520 <param name="use_mi_score" value="true"/> | |
20521 <param name="use_dia_scores" value="true"/> | |
20522 <param name="use_ms1_correlation" value="false"/> | |
20523 <param name="use_sonar_scores" value="false"/> | |
20524 <param name="use_ion_mobility_scores" value="false"/> | |
20525 <param name="use_ms1_fullscan" value="false"/> | |
20526 <param name="use_ms1_mi" value="true"/> | |
20527 <param name="use_uis_scores" value="false"/> | |
20528 </section> | |
20529 </section> | |
20530 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20531 <output name="ctd_out" ftype="xml"> | |
20532 <assert_contents> | |
20533 <is_valid_xml/> | |
20534 </assert_contents> | |
20535 </output> | |
20536 </test> | |
20537 <test expect_num_outputs="3"> | |
20538 <conditional name="adv_opts_cond"> | |
20539 <param name="adv_opts_selector" value="advanced"/> | |
20540 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20541 <param name="sort_swath_maps" value="false"/> | |
20542 <param name="enable_ms1" value="true"/> | |
20543 <param name="enable_ipf" value="true"/> | |
20544 <param name="out_chrom_type" value="mzML"/> | |
20545 <param name="min_upper_edge_dist" value="0.0"/> | |
20546 <param name="extra_rt_extraction_window" value="0.0"/> | |
20547 <param name="mz_extraction_window_unit" value="ppm"/> | |
20548 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
20549 <param name="use_ms1_ion_mobility" value="true"/> | |
20550 <param name="matching_window_only" value="false"/> | |
20551 <param name="irt_mz_extraction_window" value="50.0"/> | |
20552 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
20553 <param name="irt_im_extraction_window" value="-1.0"/> | |
20554 <param name="min_rsq" value="0.95"/> | |
20555 <param name="min_coverage" value="0.6"/> | |
20556 <param name="split_file_input" value="false"/> | |
20557 <param name="use_elution_model_score" value="false"/> | |
20558 <param name="readOptions" value="cacheWorkingInMemory"/> | |
20559 <param name="mz_correction_function" value="none"/> | |
20560 <param name="extraction_function" value="tophat"/> | |
20561 <param name="batchSize" value="1000"/> | |
20562 <param name="ms1_isotopes" value="3"/> | |
20563 <param name="force" value="false"/> | |
20564 <param name="test" value="false"/> | |
20565 </conditional> | |
20566 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
20567 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
20568 <param name="tr_type" value=""/> | |
20569 <output name="out_features" file="OpenSwathWorkflow_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20570 <output name="out_chrom" file="OpenSwathWorkflow_3_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
20571 <param name="sonar" value="false"/> | |
20572 <param name="rt_extraction_window" value="600.0"/> | |
20573 <param name="ion_mobility_window" value="-1.0"/> | |
20574 <param name="mz_extraction_window" value="50.0"/> | |
20575 <param name="mz_extraction_window_ms1" value="50.0"/> | |
20576 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20577 <section name="Debugging"/> | |
20578 <section name="Calibration"> | |
20579 <param name="ms1_im_calibration" value="false"/> | |
20580 <param name="im_correction_function" value="linear"/> | |
20581 <param name="debug_im_file" value=""/> | |
20582 <param name="debug_mz_file" value=""/> | |
20583 </section> | |
20584 <section name="Library"> | |
20585 <param name="retentionTimeInterpretation" value="iRT"/> | |
20586 <param name="override_group_label_check" value="false"/> | |
20587 <param name="force_invalid_mods" value="false"/> | |
20588 </section> | |
20589 <section name="RTNormalization"> | |
20590 <param name="alignmentMethod" value="linear"/> | |
20591 <param name="outlierMethod" value="iter_residual"/> | |
20592 <param name="useIterativeChauvenet" value="false"/> | |
20593 <param name="RANSACMaxIterations" value="1000"/> | |
20594 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20595 <param name="RANSACSamplingSize" value="10"/> | |
20596 <param name="estimateBestPeptides" value="false"/> | |
20597 <param name="InitialQualityCutoff" value="0.5"/> | |
20598 <param name="OverallQualityCutoff" value="5.5"/> | |
20599 <param name="NrRTBins" value="10"/> | |
20600 <param name="MinPeptidesPerBin" value="1"/> | |
20601 <param name="MinBinsFilled" value="8"/> | |
20602 <section name="lowess"> | |
20603 <param name="span" value="0.05"/> | |
20604 </section> | |
20605 <section name="b_spline"> | |
20606 <param name="num_nodes" value="5"/> | |
20607 </section> | |
20608 </section> | |
20609 <section name="Scoring"> | |
20610 <param name="stop_report_after_feature" value="5"/> | |
20611 <param name="rt_normalization_factor" value="100.0"/> | |
20612 <param name="quantification_cutoff" value="0.0"/> | |
20613 <param name="write_convex_hull" value="false"/> | |
20614 <param name="spectrum_addition_method" value="simple"/> | |
20615 <param name="add_up_spectra" value="1"/> | |
20616 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20617 <param name="uis_threshold_sn" value="-1"/> | |
20618 <param name="uis_threshold_peak_area" value="0"/> | |
20619 <param name="scoring_model" value="default"/> | |
20620 <param name="im_extra_drift" value="0.0"/> | |
20621 <param name="strict" value="true"/> | |
20622 <section name="TransitionGroupPicker"> | |
20623 <param name="stop_after_feature" value="-1"/> | |
20624 <param name="min_peak_width" value="-1.0"/> | |
20625 <param name="peak_integration" value="original"/> | |
20626 <param name="background_subtraction" value="none"/> | |
20627 <param name="recalculate_peaks" value="true"/> | |
20628 <param name="use_precursors" value="false"/> | |
20629 <param name="use_consensus" value="true"/> | |
20630 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20631 <param name="minimal_quality" value="-1.5"/> | |
20632 <param name="resample_boundary" value="15.0"/> | |
20633 <param name="compute_peak_quality" value="false"/> | |
20634 <param name="compute_peak_shape_metrics" value="false"/> | |
20635 <param name="compute_total_mi" value="false"/> | |
20636 <param name="boundary_selection_method" value="largest"/> | |
20637 <section name="PeakPickerMRM"> | |
20638 <param name="sgolay_frame_length" value="11"/> | |
20639 <param name="sgolay_polynomial_order" value="3"/> | |
20640 <param name="gauss_width" value="30.0"/> | |
20641 <param name="use_gauss" value="false"/> | |
20642 <param name="peak_width" value="-1.0"/> | |
20643 <param name="signal_to_noise" value="0.1"/> | |
20644 <param name="write_sn_log_messages" value="false"/> | |
20645 <param name="remove_overlapping_peaks" value="true"/> | |
20646 <param name="method" value="corrected"/> | |
20647 </section> | |
20648 <section name="PeakIntegrator"> | |
20649 <param name="integration_type" value="intensity_sum"/> | |
20650 <param name="baseline_type" value="base_to_base"/> | |
20651 <param name="fit_EMG" value="false"/> | |
20652 </section> | |
20653 </section> | |
20654 <section name="DIAScoring"> | |
20655 <param name="dia_extraction_window" value="0.05"/> | |
20656 <param name="dia_extraction_unit" value="Th"/> | |
20657 <param name="dia_centroided" value="false"/> | |
20658 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20659 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20660 <param name="dia_nr_isotopes" value="4"/> | |
20661 <param name="dia_nr_charges" value="4"/> | |
20662 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20663 </section> | |
20664 <section name="EMGScoring"> | |
20665 <param name="max_iteration" value="10"/> | |
20666 </section> | |
20667 <section name="Scores"> | |
20668 <param name="use_shape_score" value="true"/> | |
20669 <param name="use_coelution_score" value="true"/> | |
20670 <param name="use_rt_score" value="true"/> | |
20671 <param name="use_library_score" value="true"/> | |
20672 <param name="use_intensity_score" value="true"/> | |
20673 <param name="use_nr_peaks_score" value="true"/> | |
20674 <param name="use_total_xic_score" value="true"/> | |
20675 <param name="use_total_mi_score" value="false"/> | |
20676 <param name="use_sn_score" value="true"/> | |
20677 <param name="use_mi_score" value="true"/> | |
20678 <param name="use_dia_scores" value="true"/> | |
20679 <param name="use_ms1_correlation" value="false"/> | |
20680 <param name="use_sonar_scores" value="false"/> | |
20681 <param name="use_ion_mobility_scores" value="false"/> | |
20682 <param name="use_ms1_fullscan" value="false"/> | |
20683 <param name="use_ms1_mi" value="true"/> | |
20684 <param name="use_uis_scores" value="false"/> | |
20685 </section> | |
20686 </section> | |
20687 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20688 <output name="ctd_out" ftype="xml"> | |
20689 <assert_contents> | |
20690 <is_valid_xml/> | |
20691 </assert_contents> | |
20692 </output> | |
20693 </test> | |
20694 <test expect_num_outputs="3"> | |
20695 <conditional name="adv_opts_cond"> | |
20696 <param name="adv_opts_selector" value="advanced"/> | |
20697 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20698 <param name="sort_swath_maps" value="false"/> | |
20699 <param name="enable_ms1" value="true"/> | |
20700 <param name="enable_ipf" value="true"/> | |
20701 <param name="out_chrom_type" value="mzML"/> | |
20702 <param name="min_upper_edge_dist" value="0.0"/> | |
20703 <param name="extra_rt_extraction_window" value="0.0"/> | |
20704 <param name="mz_extraction_window_unit" value="ppm"/> | |
20705 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
20706 <param name="use_ms1_ion_mobility" value="true"/> | |
20707 <param name="matching_window_only" value="false"/> | |
20708 <param name="irt_mz_extraction_window" value="50.0"/> | |
20709 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
20710 <param name="irt_im_extraction_window" value="-1.0"/> | |
20711 <param name="min_rsq" value="0.95"/> | |
20712 <param name="min_coverage" value="0.6"/> | |
20713 <param name="split_file_input" value="false"/> | |
20714 <param name="use_elution_model_score" value="false"/> | |
20715 <param name="readOptions" value="normal"/> | |
20716 <param name="mz_correction_function" value="none"/> | |
20717 <param name="extraction_function" value="tophat"/> | |
20718 <param name="batchSize" value="1000"/> | |
20719 <param name="ms1_isotopes" value="3"/> | |
20720 <param name="force" value="false"/> | |
20721 <param name="test" value="false"/> | |
20722 </conditional> | |
20723 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
20724 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
20725 <param name="tr_type" value=""/> | |
20726 <param name="swath_windows_file" value="swath_windows.txt" ftype="txt"/> | |
20727 <output name="out_features" file="OpenSwathWorkflow_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20728 <output name="out_chrom" file="OpenSwathWorkflow_3_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
20729 <param name="sonar" value="false"/> | |
20730 <param name="rt_extraction_window" value="600.0"/> | |
20731 <param name="ion_mobility_window" value="-1.0"/> | |
20732 <param name="mz_extraction_window" value="50.0"/> | |
20733 <param name="mz_extraction_window_ms1" value="50.0"/> | |
20734 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20735 <section name="Debugging"/> | |
20736 <section name="Calibration"> | |
20737 <param name="ms1_im_calibration" value="false"/> | |
20738 <param name="im_correction_function" value="linear"/> | |
20739 <param name="debug_im_file" value=""/> | |
20740 <param name="debug_mz_file" value=""/> | |
20741 </section> | |
20742 <section name="Library"> | |
20743 <param name="retentionTimeInterpretation" value="iRT"/> | |
20744 <param name="override_group_label_check" value="false"/> | |
20745 <param name="force_invalid_mods" value="false"/> | |
20746 </section> | |
20747 <section name="RTNormalization"> | |
20748 <param name="alignmentMethod" value="linear"/> | |
20749 <param name="outlierMethod" value="iter_residual"/> | |
20750 <param name="useIterativeChauvenet" value="false"/> | |
20751 <param name="RANSACMaxIterations" value="1000"/> | |
20752 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20753 <param name="RANSACSamplingSize" value="10"/> | |
20754 <param name="estimateBestPeptides" value="false"/> | |
20755 <param name="InitialQualityCutoff" value="0.5"/> | |
20756 <param name="OverallQualityCutoff" value="5.5"/> | |
20757 <param name="NrRTBins" value="10"/> | |
20758 <param name="MinPeptidesPerBin" value="1"/> | |
20759 <param name="MinBinsFilled" value="8"/> | |
20760 <section name="lowess"> | |
20761 <param name="span" value="0.05"/> | |
20762 </section> | |
20763 <section name="b_spline"> | |
20764 <param name="num_nodes" value="5"/> | |
20765 </section> | |
20766 </section> | |
20767 <section name="Scoring"> | |
20768 <param name="stop_report_after_feature" value="5"/> | |
20769 <param name="rt_normalization_factor" value="100.0"/> | |
20770 <param name="quantification_cutoff" value="0.0"/> | |
20771 <param name="write_convex_hull" value="false"/> | |
20772 <param name="spectrum_addition_method" value="simple"/> | |
20773 <param name="add_up_spectra" value="1"/> | |
20774 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20775 <param name="uis_threshold_sn" value="-1"/> | |
20776 <param name="uis_threshold_peak_area" value="0"/> | |
20777 <param name="scoring_model" value="default"/> | |
20778 <param name="im_extra_drift" value="0.0"/> | |
20779 <param name="strict" value="true"/> | |
20780 <section name="TransitionGroupPicker"> | |
20781 <param name="stop_after_feature" value="-1"/> | |
20782 <param name="min_peak_width" value="-1.0"/> | |
20783 <param name="peak_integration" value="original"/> | |
20784 <param name="background_subtraction" value="none"/> | |
20785 <param name="recalculate_peaks" value="true"/> | |
20786 <param name="use_precursors" value="false"/> | |
20787 <param name="use_consensus" value="true"/> | |
20788 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20789 <param name="minimal_quality" value="-1.5"/> | |
20790 <param name="resample_boundary" value="15.0"/> | |
20791 <param name="compute_peak_quality" value="false"/> | |
20792 <param name="compute_peak_shape_metrics" value="false"/> | |
20793 <param name="compute_total_mi" value="false"/> | |
20794 <param name="boundary_selection_method" value="largest"/> | |
20795 <section name="PeakPickerMRM"> | |
20796 <param name="sgolay_frame_length" value="11"/> | |
20797 <param name="sgolay_polynomial_order" value="3"/> | |
20798 <param name="gauss_width" value="30.0"/> | |
20799 <param name="use_gauss" value="false"/> | |
20800 <param name="peak_width" value="-1.0"/> | |
20801 <param name="signal_to_noise" value="0.1"/> | |
20802 <param name="write_sn_log_messages" value="false"/> | |
20803 <param name="remove_overlapping_peaks" value="true"/> | |
20804 <param name="method" value="corrected"/> | |
20805 </section> | |
20806 <section name="PeakIntegrator"> | |
20807 <param name="integration_type" value="intensity_sum"/> | |
20808 <param name="baseline_type" value="base_to_base"/> | |
20809 <param name="fit_EMG" value="false"/> | |
20810 </section> | |
20811 </section> | |
20812 <section name="DIAScoring"> | |
20813 <param name="dia_extraction_window" value="0.05"/> | |
20814 <param name="dia_extraction_unit" value="Th"/> | |
20815 <param name="dia_centroided" value="false"/> | |
20816 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20817 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20818 <param name="dia_nr_isotopes" value="4"/> | |
20819 <param name="dia_nr_charges" value="4"/> | |
20820 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20821 </section> | |
20822 <section name="EMGScoring"> | |
20823 <param name="max_iteration" value="10"/> | |
20824 </section> | |
20825 <section name="Scores"> | |
20826 <param name="use_shape_score" value="true"/> | |
20827 <param name="use_coelution_score" value="true"/> | |
20828 <param name="use_rt_score" value="true"/> | |
20829 <param name="use_library_score" value="true"/> | |
20830 <param name="use_intensity_score" value="true"/> | |
20831 <param name="use_nr_peaks_score" value="true"/> | |
20832 <param name="use_total_xic_score" value="true"/> | |
20833 <param name="use_total_mi_score" value="false"/> | |
20834 <param name="use_sn_score" value="true"/> | |
20835 <param name="use_mi_score" value="true"/> | |
20836 <param name="use_dia_scores" value="true"/> | |
20837 <param name="use_ms1_correlation" value="false"/> | |
20838 <param name="use_sonar_scores" value="false"/> | |
20839 <param name="use_ion_mobility_scores" value="false"/> | |
20840 <param name="use_ms1_fullscan" value="false"/> | |
20841 <param name="use_ms1_mi" value="true"/> | |
20842 <param name="use_uis_scores" value="false"/> | |
20843 </section> | |
20844 </section> | |
20845 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20846 <output name="ctd_out" ftype="xml"> | |
20847 <assert_contents> | |
20848 <is_valid_xml/> | |
20849 </assert_contents> | |
20850 </output> | |
20851 </test> | |
20852 <test expect_num_outputs="3"> | |
20853 <conditional name="adv_opts_cond"> | |
20854 <param name="adv_opts_selector" value="advanced"/> | |
20855 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20856 <param name="sort_swath_maps" value="false"/> | |
20857 <param name="enable_ms1" value="true"/> | |
20858 <param name="enable_ipf" value="true"/> | |
20859 <param name="out_chrom_type" value="mzML"/> | |
20860 <param name="min_upper_edge_dist" value="0.0"/> | |
20861 <param name="extra_rt_extraction_window" value="0.0"/> | |
20862 <param name="mz_extraction_window_unit" value="ppm"/> | |
20863 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
20864 <param name="use_ms1_ion_mobility" value="true"/> | |
20865 <param name="matching_window_only" value="false"/> | |
20866 <param name="irt_mz_extraction_window" value="50.0"/> | |
20867 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
20868 <param name="irt_im_extraction_window" value="-1.0"/> | |
20869 <param name="min_rsq" value="0.95"/> | |
20870 <param name="min_coverage" value="0.6"/> | |
20871 <param name="split_file_input" value="false"/> | |
20872 <param name="use_elution_model_score" value="false"/> | |
20873 <param name="readOptions" value="normal"/> | |
20874 <param name="mz_correction_function" value="none"/> | |
20875 <param name="extraction_function" value="tophat"/> | |
20876 <param name="batchSize" value="1000"/> | |
20877 <param name="ms1_isotopes" value="3"/> | |
20878 <param name="force" value="true"/> | |
20879 <param name="test" value="false"/> | |
20880 </conditional> | |
20881 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
20882 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
20883 <param name="tr_type" value=""/> | |
20884 <param name="swath_windows_file" value="swath_windows_overlap.txt" ftype="txt"/> | |
20885 <output name="out_features" file="OpenSwathWorkflow_10.featureXML.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20886 <output name="out_chrom" file="OpenSwathWorkflow_10.chrom.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
20887 <param name="sonar" value="false"/> | |
20888 <param name="rt_extraction_window" value="600.0"/> | |
20889 <param name="ion_mobility_window" value="-1.0"/> | |
20890 <param name="mz_extraction_window" value="50.0"/> | |
20891 <param name="mz_extraction_window_ms1" value="50.0"/> | |
20892 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20893 <section name="Debugging"/> | |
20894 <section name="Calibration"> | |
20895 <param name="ms1_im_calibration" value="false"/> | |
20896 <param name="im_correction_function" value="linear"/> | |
20897 <param name="debug_im_file" value=""/> | |
20898 <param name="debug_mz_file" value=""/> | |
20899 </section> | |
20900 <section name="Library"> | |
20901 <param name="retentionTimeInterpretation" value="iRT"/> | |
20902 <param name="override_group_label_check" value="false"/> | |
20903 <param name="force_invalid_mods" value="false"/> | |
20904 </section> | |
20905 <section name="RTNormalization"> | |
20906 <param name="alignmentMethod" value="linear"/> | |
20907 <param name="outlierMethod" value="iter_residual"/> | |
20908 <param name="useIterativeChauvenet" value="false"/> | |
20909 <param name="RANSACMaxIterations" value="1000"/> | |
20910 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20911 <param name="RANSACSamplingSize" value="10"/> | |
20912 <param name="estimateBestPeptides" value="false"/> | |
20913 <param name="InitialQualityCutoff" value="0.5"/> | |
20914 <param name="OverallQualityCutoff" value="5.5"/> | |
20915 <param name="NrRTBins" value="10"/> | |
20916 <param name="MinPeptidesPerBin" value="1"/> | |
20917 <param name="MinBinsFilled" value="8"/> | |
20918 <section name="lowess"> | |
20919 <param name="span" value="0.05"/> | |
20920 </section> | |
20921 <section name="b_spline"> | |
20922 <param name="num_nodes" value="5"/> | |
20923 </section> | |
20924 </section> | |
20925 <section name="Scoring"> | |
20926 <param name="stop_report_after_feature" value="5"/> | |
20927 <param name="rt_normalization_factor" value="100.0"/> | |
20928 <param name="quantification_cutoff" value="0.0"/> | |
20929 <param name="write_convex_hull" value="false"/> | |
20930 <param name="spectrum_addition_method" value="simple"/> | |
20931 <param name="add_up_spectra" value="1"/> | |
20932 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20933 <param name="uis_threshold_sn" value="-1"/> | |
20934 <param name="uis_threshold_peak_area" value="0"/> | |
20935 <param name="scoring_model" value="default"/> | |
20936 <param name="im_extra_drift" value="0.0"/> | |
20937 <param name="strict" value="true"/> | |
20938 <section name="TransitionGroupPicker"> | |
20939 <param name="stop_after_feature" value="-1"/> | |
20940 <param name="min_peak_width" value="-1.0"/> | |
20941 <param name="peak_integration" value="original"/> | |
20942 <param name="background_subtraction" value="none"/> | |
20943 <param name="recalculate_peaks" value="true"/> | |
20944 <param name="use_precursors" value="false"/> | |
20945 <param name="use_consensus" value="true"/> | |
20946 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20947 <param name="minimal_quality" value="-1.5"/> | |
20948 <param name="resample_boundary" value="15.0"/> | |
20949 <param name="compute_peak_quality" value="false"/> | |
20950 <param name="compute_peak_shape_metrics" value="false"/> | |
20951 <param name="compute_total_mi" value="false"/> | |
20952 <param name="boundary_selection_method" value="largest"/> | |
20953 <section name="PeakPickerMRM"> | |
20954 <param name="sgolay_frame_length" value="11"/> | |
20955 <param name="sgolay_polynomial_order" value="3"/> | |
20956 <param name="gauss_width" value="30.0"/> | |
20957 <param name="use_gauss" value="false"/> | |
20958 <param name="peak_width" value="-1.0"/> | |
20959 <param name="signal_to_noise" value="0.1"/> | |
20960 <param name="write_sn_log_messages" value="false"/> | |
20961 <param name="remove_overlapping_peaks" value="true"/> | |
20962 <param name="method" value="corrected"/> | |
20963 </section> | |
20964 <section name="PeakIntegrator"> | |
20965 <param name="integration_type" value="intensity_sum"/> | |
20966 <param name="baseline_type" value="base_to_base"/> | |
20967 <param name="fit_EMG" value="false"/> | |
20968 </section> | |
20969 </section> | |
20970 <section name="DIAScoring"> | |
20971 <param name="dia_extraction_window" value="0.05"/> | |
20972 <param name="dia_extraction_unit" value="Th"/> | |
20973 <param name="dia_centroided" value="false"/> | |
20974 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20975 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20976 <param name="dia_nr_isotopes" value="4"/> | |
20977 <param name="dia_nr_charges" value="4"/> | |
20978 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20979 </section> | |
20980 <section name="EMGScoring"> | |
20981 <param name="max_iteration" value="10"/> | |
20982 </section> | |
20983 <section name="Scores"> | |
20984 <param name="use_shape_score" value="true"/> | |
20985 <param name="use_coelution_score" value="true"/> | |
20986 <param name="use_rt_score" value="true"/> | |
20987 <param name="use_library_score" value="true"/> | |
20988 <param name="use_intensity_score" value="true"/> | |
20989 <param name="use_nr_peaks_score" value="true"/> | |
20990 <param name="use_total_xic_score" value="true"/> | |
20991 <param name="use_total_mi_score" value="false"/> | |
20992 <param name="use_sn_score" value="true"/> | |
20993 <param name="use_mi_score" value="true"/> | |
20994 <param name="use_dia_scores" value="true"/> | |
20995 <param name="use_ms1_correlation" value="false"/> | |
20996 <param name="use_sonar_scores" value="false"/> | |
20997 <param name="use_ion_mobility_scores" value="false"/> | |
20998 <param name="use_ms1_fullscan" value="false"/> | |
20999 <param name="use_ms1_mi" value="true"/> | |
21000 <param name="use_uis_scores" value="false"/> | |
21001 </section> | |
21002 </section> | |
21003 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
21004 <output name="ctd_out" ftype="xml"> | |
21005 <assert_contents> | |
21006 <is_valid_xml/> | |
21007 </assert_contents> | |
21008 </output> | |
21009 </test> | |
21010 <test expect_num_outputs="3"> | |
21011 <conditional name="adv_opts_cond"> | |
21012 <param name="adv_opts_selector" value="advanced"/> | |
21013 <param name="sort_swath_maps" value="false"/> | |
21014 <param name="enable_ms1" value="false"/> | |
21015 <param name="enable_ipf" value="true"/> | |
21016 <param name="out_chrom_type" value="mzML"/> | |
21017 <param name="min_upper_edge_dist" value="0.0"/> | |
21018 <param name="extra_rt_extraction_window" value="0.0"/> | |
21019 <param name="mz_extraction_window_unit" value="ppm"/> | |
21020 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
21021 <param name="use_ms1_ion_mobility" value="true"/> | |
21022 <param name="matching_window_only" value="false"/> | |
21023 <param name="irt_mz_extraction_window" value="550.0"/> | |
21024 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
21025 <param name="irt_im_extraction_window" value="-1.0"/> | |
21026 <param name="min_rsq" value="0.95"/> | |
21027 <param name="min_coverage" value="0.6"/> | |
21028 <param name="split_file_input" value="false"/> | |
21029 <param name="use_elution_model_score" value="false"/> | |
21030 <param name="readOptions" value="normal"/> | |
21031 <param name="mz_correction_function" value="quadratic_regression_delta_ppm"/> | |
21032 <param name="extraction_function" value="tophat"/> | |
21033 <param name="batchSize" value="1000"/> | |
21034 <param name="ms1_isotopes" value="3"/> | |
21035 <param name="force" value="false"/> | |
21036 <param name="test" value="false"/> | |
21037 </conditional> | |
21038 <param name="in" value="OpenSwathWorkflow_11_input.mzML"/> | |
21039 <param name="tr" value="OpenSwathWorkflow_11_input_2.TraML"/> | |
21040 <param name="tr_type" value=""/> | |
21041 <param name="tr_irt" value="OpenSwathWorkflow_11_input.TraML"/> | |
21042 <output name="out_features" file="OpenSwathWorkflow_11_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21043 <output name="out_chrom" file="OpenSwathWorkflow_11_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
21044 <param name="sonar" value="true"/> | |
21045 <param name="rt_extraction_window" value="-1.0"/> | |
21046 <param name="ion_mobility_window" value="-1.0"/> | |
21047 <param name="mz_extraction_window" value="0.2"/> | |
21048 <param name="mz_extraction_window_ms1" value="50.0"/> | |
21049 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21050 <section name="Debugging"/> | |
21051 <section name="Calibration"> | |
21052 <param name="ms1_im_calibration" value="false"/> | |
21053 <param name="im_correction_function" value="linear"/> | |
21054 <param name="debug_im_file" value=""/> | |
21055 <param name="debug_mz_file" value=""/> | |
21056 </section> | |
21057 <section name="Library"> | |
21058 <param name="retentionTimeInterpretation" value="iRT"/> | |
21059 <param name="override_group_label_check" value="false"/> | |
21060 <param name="force_invalid_mods" value="false"/> | |
21061 </section> | |
21062 <section name="RTNormalization"> | |
21063 <param name="alignmentMethod" value="linear"/> | |
21064 <param name="outlierMethod" value="none"/> | |
21065 <param name="useIterativeChauvenet" value="false"/> | |
21066 <param name="RANSACMaxIterations" value="1000"/> | |
21067 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21068 <param name="RANSACSamplingSize" value="10"/> | |
21069 <param name="estimateBestPeptides" value="false"/> | |
21070 <param name="InitialQualityCutoff" value="0.5"/> | |
21071 <param name="OverallQualityCutoff" value="5.5"/> | |
21072 <param name="NrRTBins" value="10"/> | |
21073 <param name="MinPeptidesPerBin" value="1"/> | |
21074 <param name="MinBinsFilled" value="8"/> | |
21075 <section name="lowess"> | |
21076 <param name="span" value="0.05"/> | |
21077 </section> | |
21078 <section name="b_spline"> | |
21079 <param name="num_nodes" value="5"/> | |
21080 </section> | |
21081 </section> | |
21082 <section name="Scoring"> | |
21083 <param name="stop_report_after_feature" value="5"/> | |
21084 <param name="rt_normalization_factor" value="100.0"/> | |
21085 <param name="quantification_cutoff" value="0.0"/> | |
21086 <param name="write_convex_hull" value="false"/> | |
21087 <param name="spectrum_addition_method" value="simple"/> | |
21088 <param name="add_up_spectra" value="1"/> | |
21089 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21090 <param name="uis_threshold_sn" value="-1"/> | |
21091 <param name="uis_threshold_peak_area" value="0"/> | |
21092 <param name="scoring_model" value="default"/> | |
21093 <param name="im_extra_drift" value="0.0"/> | |
21094 <param name="strict" value="true"/> | |
21095 <section name="TransitionGroupPicker"> | |
21096 <param name="stop_after_feature" value="-1"/> | |
21097 <param name="min_peak_width" value="-1.0"/> | |
21098 <param name="peak_integration" value="original"/> | |
21099 <param name="background_subtraction" value="none"/> | |
21100 <param name="recalculate_peaks" value="true"/> | |
21101 <param name="use_precursors" value="false"/> | |
21102 <param name="use_consensus" value="true"/> | |
21103 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21104 <param name="minimal_quality" value="-1.5"/> | |
21105 <param name="resample_boundary" value="15.0"/> | |
21106 <param name="compute_peak_quality" value="false"/> | |
21107 <param name="compute_peak_shape_metrics" value="false"/> | |
21108 <param name="compute_total_mi" value="false"/> | |
21109 <param name="boundary_selection_method" value="largest"/> | |
21110 <section name="PeakPickerMRM"> | |
21111 <param name="sgolay_frame_length" value="11"/> | |
21112 <param name="sgolay_polynomial_order" value="3"/> | |
21113 <param name="gauss_width" value="30.0"/> | |
21114 <param name="use_gauss" value="false"/> | |
21115 <param name="peak_width" value="-1.0"/> | |
21116 <param name="signal_to_noise" value="0.1"/> | |
21117 <param name="write_sn_log_messages" value="false"/> | |
21118 <param name="remove_overlapping_peaks" value="true"/> | |
21119 <param name="method" value="corrected"/> | |
21120 </section> | |
21121 <section name="PeakIntegrator"> | |
21122 <param name="integration_type" value="intensity_sum"/> | |
21123 <param name="baseline_type" value="base_to_base"/> | |
21124 <param name="fit_EMG" value="false"/> | |
21125 </section> | |
21126 </section> | |
21127 <section name="DIAScoring"> | |
21128 <param name="dia_extraction_window" value="0.05"/> | |
21129 <param name="dia_extraction_unit" value="Th"/> | |
21130 <param name="dia_centroided" value="false"/> | |
21131 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21132 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21133 <param name="dia_nr_isotopes" value="4"/> | |
21134 <param name="dia_nr_charges" value="4"/> | |
21135 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21136 </section> | |
21137 <section name="EMGScoring"> | |
21138 <param name="max_iteration" value="10"/> | |
21139 </section> | |
21140 <section name="Scores"> | |
21141 <param name="use_shape_score" value="true"/> | |
21142 <param name="use_coelution_score" value="true"/> | |
21143 <param name="use_rt_score" value="true"/> | |
21144 <param name="use_library_score" value="true"/> | |
21145 <param name="use_intensity_score" value="true"/> | |
21146 <param name="use_nr_peaks_score" value="true"/> | |
21147 <param name="use_total_xic_score" value="true"/> | |
21148 <param name="use_total_mi_score" value="false"/> | |
21149 <param name="use_sn_score" value="true"/> | |
21150 <param name="use_mi_score" value="true"/> | |
21151 <param name="use_dia_scores" value="true"/> | |
21152 <param name="use_ms1_correlation" value="false"/> | |
21153 <param name="use_sonar_scores" value="true"/> | |
21154 <param name="use_ion_mobility_scores" value="false"/> | |
21155 <param name="use_ms1_fullscan" value="false"/> | |
21156 <param name="use_ms1_mi" value="true"/> | |
21157 <param name="use_uis_scores" value="false"/> | |
21158 </section> | |
21159 </section> | |
21160 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
21161 <output name="ctd_out" ftype="xml"> | |
21162 <assert_contents> | |
21163 <is_valid_xml/> | |
21164 </assert_contents> | |
21165 </output> | |
21166 </test> | |
21167 <test expect_num_outputs="3"> | |
21168 <conditional name="adv_opts_cond"> | |
21169 <param name="adv_opts_selector" value="advanced"/> | |
21170 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
21171 <param name="sort_swath_maps" value="false"/> | |
21172 <param name="enable_ms1" value="true"/> | |
21173 <param name="enable_ipf" value="true"/> | |
21174 <param name="out_chrom_type" value="mzML"/> | |
21175 <param name="min_upper_edge_dist" value="0.0"/> | |
21176 <param name="extra_rt_extraction_window" value="0.0"/> | |
21177 <param name="mz_extraction_window_unit" value="ppm"/> | |
21178 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
21179 <param name="use_ms1_ion_mobility" value="true"/> | |
21180 <param name="matching_window_only" value="false"/> | |
21181 <param name="irt_mz_extraction_window" value="50.0"/> | |
21182 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
21183 <param name="irt_im_extraction_window" value="-1.0"/> | |
21184 <param name="min_rsq" value="0.95"/> | |
21185 <param name="min_coverage" value="0.6"/> | |
21186 <param name="split_file_input" value="false"/> | |
21187 <param name="use_elution_model_score" value="false"/> | |
21188 <param name="readOptions" value="normal"/> | |
21189 <param name="mz_correction_function" value="none"/> | |
21190 <param name="extraction_function" value="tophat"/> | |
21191 <param name="batchSize" value="1000"/> | |
21192 <param name="ms1_isotopes" value="3"/> | |
21193 <param name="force" value="false"/> | |
21194 <param name="test" value="false"/> | |
21195 </conditional> | |
21196 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
21197 <param name="tr" value="OpenSwathWorkflow_13_input.pqp.tmp"/> | |
21198 <param name="tr_type" value="pqp"/> | |
21199 <output name="out_osw" file="OpenSwathWorkflow_13.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
21200 <output name="out_chrom" file="OpenSwathWorkflow_13_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
21201 <param name="sonar" value="false"/> | |
21202 <param name="rt_extraction_window" value="600.0"/> | |
21203 <param name="ion_mobility_window" value="-1.0"/> | |
21204 <param name="mz_extraction_window" value="50.0"/> | |
21205 <param name="mz_extraction_window_ms1" value="50.0"/> | |
21206 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21207 <section name="Debugging"/> | |
21208 <section name="Calibration"> | |
21209 <param name="ms1_im_calibration" value="false"/> | |
21210 <param name="im_correction_function" value="linear"/> | |
21211 <param name="debug_im_file" value=""/> | |
21212 <param name="debug_mz_file" value=""/> | |
21213 </section> | |
21214 <section name="Library"> | |
21215 <param name="retentionTimeInterpretation" value="iRT"/> | |
21216 <param name="override_group_label_check" value="false"/> | |
21217 <param name="force_invalid_mods" value="false"/> | |
21218 </section> | |
21219 <section name="RTNormalization"> | |
21220 <param name="alignmentMethod" value="linear"/> | |
21221 <param name="outlierMethod" value="iter_residual"/> | |
21222 <param name="useIterativeChauvenet" value="false"/> | |
21223 <param name="RANSACMaxIterations" value="1000"/> | |
21224 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21225 <param name="RANSACSamplingSize" value="10"/> | |
21226 <param name="estimateBestPeptides" value="false"/> | |
21227 <param name="InitialQualityCutoff" value="0.5"/> | |
21228 <param name="OverallQualityCutoff" value="5.5"/> | |
21229 <param name="NrRTBins" value="10"/> | |
21230 <param name="MinPeptidesPerBin" value="1"/> | |
21231 <param name="MinBinsFilled" value="8"/> | |
21232 <section name="lowess"> | |
21233 <param name="span" value="0.05"/> | |
21234 </section> | |
21235 <section name="b_spline"> | |
21236 <param name="num_nodes" value="5"/> | |
21237 </section> | |
21238 </section> | |
21239 <section name="Scoring"> | |
21240 <param name="stop_report_after_feature" value="5"/> | |
21241 <param name="rt_normalization_factor" value="100.0"/> | |
21242 <param name="quantification_cutoff" value="0.0"/> | |
21243 <param name="write_convex_hull" value="false"/> | |
21244 <param name="spectrum_addition_method" value="simple"/> | |
21245 <param name="add_up_spectra" value="1"/> | |
21246 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21247 <param name="uis_threshold_sn" value="-1"/> | |
21248 <param name="uis_threshold_peak_area" value="0"/> | |
21249 <param name="scoring_model" value="default"/> | |
21250 <param name="im_extra_drift" value="0.0"/> | |
21251 <param name="strict" value="true"/> | |
21252 <section name="TransitionGroupPicker"> | |
21253 <param name="stop_after_feature" value="-1"/> | |
21254 <param name="min_peak_width" value="-1.0"/> | |
21255 <param name="peak_integration" value="original"/> | |
21256 <param name="background_subtraction" value="none"/> | |
21257 <param name="recalculate_peaks" value="true"/> | |
21258 <param name="use_precursors" value="false"/> | |
21259 <param name="use_consensus" value="true"/> | |
21260 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21261 <param name="minimal_quality" value="-1.5"/> | |
21262 <param name="resample_boundary" value="15.0"/> | |
21263 <param name="compute_peak_quality" value="false"/> | |
21264 <param name="compute_peak_shape_metrics" value="false"/> | |
21265 <param name="compute_total_mi" value="false"/> | |
21266 <param name="boundary_selection_method" value="largest"/> | |
21267 <section name="PeakPickerMRM"> | |
21268 <param name="sgolay_frame_length" value="11"/> | |
21269 <param name="sgolay_polynomial_order" value="3"/> | |
21270 <param name="gauss_width" value="30.0"/> | |
21271 <param name="use_gauss" value="false"/> | |
21272 <param name="peak_width" value="-1.0"/> | |
21273 <param name="signal_to_noise" value="0.1"/> | |
21274 <param name="write_sn_log_messages" value="false"/> | |
21275 <param name="remove_overlapping_peaks" value="true"/> | |
21276 <param name="method" value="corrected"/> | |
21277 </section> | |
21278 <section name="PeakIntegrator"> | |
21279 <param name="integration_type" value="intensity_sum"/> | |
21280 <param name="baseline_type" value="base_to_base"/> | |
21281 <param name="fit_EMG" value="false"/> | |
21282 </section> | |
21283 </section> | |
21284 <section name="DIAScoring"> | |
21285 <param name="dia_extraction_window" value="0.05"/> | |
21286 <param name="dia_extraction_unit" value="Th"/> | |
21287 <param name="dia_centroided" value="false"/> | |
21288 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21289 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21290 <param name="dia_nr_isotopes" value="4"/> | |
21291 <param name="dia_nr_charges" value="4"/> | |
21292 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21293 </section> | |
21294 <section name="EMGScoring"> | |
21295 <param name="max_iteration" value="10"/> | |
21296 </section> | |
21297 <section name="Scores"> | |
21298 <param name="use_shape_score" value="true"/> | |
21299 <param name="use_coelution_score" value="true"/> | |
21300 <param name="use_rt_score" value="true"/> | |
21301 <param name="use_library_score" value="true"/> | |
21302 <param name="use_intensity_score" value="true"/> | |
21303 <param name="use_nr_peaks_score" value="true"/> | |
21304 <param name="use_total_xic_score" value="true"/> | |
21305 <param name="use_total_mi_score" value="false"/> | |
21306 <param name="use_sn_score" value="true"/> | |
21307 <param name="use_mi_score" value="true"/> | |
21308 <param name="use_dia_scores" value="true"/> | |
21309 <param name="use_ms1_correlation" value="false"/> | |
21310 <param name="use_sonar_scores" value="false"/> | |
21311 <param name="use_ion_mobility_scores" value="false"/> | |
21312 <param name="use_ms1_fullscan" value="false"/> | |
21313 <param name="use_ms1_mi" value="true"/> | |
21314 <param name="use_uis_scores" value="false"/> | |
21315 </section> | |
21316 </section> | |
21317 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_osw_FLAG,out_chrom_FLAG"/> | |
21318 <output name="ctd_out" ftype="xml"> | |
21319 <assert_contents> | |
21320 <is_valid_xml/> | |
21321 </assert_contents> | |
21322 </output> | |
21323 </test> | |
21324 <test expect_num_outputs="3"> | |
21325 <conditional name="adv_opts_cond"> | |
21326 <param name="adv_opts_selector" value="advanced"/> | |
21327 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
21328 <param name="sort_swath_maps" value="false"/> | |
21329 <param name="enable_ms1" value="true"/> | |
21330 <param name="enable_ipf" value="true"/> | |
21331 <param name="out_chrom_type" value="sqMass"/> | |
21332 <param name="min_upper_edge_dist" value="0.0"/> | |
21333 <param name="extra_rt_extraction_window" value="0.0"/> | |
21334 <param name="mz_extraction_window_unit" value="ppm"/> | |
21335 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
21336 <param name="use_ms1_ion_mobility" value="true"/> | |
21337 <param name="matching_window_only" value="false"/> | |
21338 <param name="irt_mz_extraction_window" value="50.0"/> | |
21339 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
21340 <param name="irt_im_extraction_window" value="-1.0"/> | |
21341 <param name="min_rsq" value="0.95"/> | |
21342 <param name="min_coverage" value="0.6"/> | |
21343 <param name="split_file_input" value="false"/> | |
21344 <param name="use_elution_model_score" value="false"/> | |
21345 <param name="readOptions" value="normal"/> | |
21346 <param name="mz_correction_function" value="none"/> | |
21347 <param name="extraction_function" value="tophat"/> | |
21348 <param name="batchSize" value="1000"/> | |
21349 <param name="ms1_isotopes" value="3"/> | |
21350 <param name="force" value="false"/> | |
21351 <param name="test" value="false"/> | |
21352 </conditional> | |
21353 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
21354 <param name="tr" value="OpenSwathWorkflow_14_input.pqp.tmp"/> | |
21355 <param name="tr_type" value="pqp"/> | |
21356 <output name="out_osw" file="OpenSwathWorkflow_14.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
21357 <output name="out_chrom" file="OpenSwathWorkflow_14.chrom.tmp.sqMass" compare="sim_size" delta="5700" ftype="sqmass"/> | |
21358 <param name="sonar" value="false"/> | |
21359 <param name="rt_extraction_window" value="600.0"/> | |
21360 <param name="ion_mobility_window" value="-1.0"/> | |
21361 <param name="mz_extraction_window" value="50.0"/> | |
21362 <param name="mz_extraction_window_ms1" value="50.0"/> | |
21363 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21364 <section name="Debugging"/> | |
21365 <section name="Calibration"> | |
21366 <param name="ms1_im_calibration" value="false"/> | |
21367 <param name="im_correction_function" value="linear"/> | |
21368 <param name="debug_im_file" value=""/> | |
21369 <param name="debug_mz_file" value=""/> | |
21370 </section> | |
21371 <section name="Library"> | |
21372 <param name="retentionTimeInterpretation" value="iRT"/> | |
21373 <param name="override_group_label_check" value="false"/> | |
21374 <param name="force_invalid_mods" value="false"/> | |
21375 </section> | |
21376 <section name="RTNormalization"> | |
21377 <param name="alignmentMethod" value="linear"/> | |
21378 <param name="outlierMethod" value="iter_residual"/> | |
21379 <param name="useIterativeChauvenet" value="false"/> | |
21380 <param name="RANSACMaxIterations" value="1000"/> | |
21381 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21382 <param name="RANSACSamplingSize" value="10"/> | |
21383 <param name="estimateBestPeptides" value="false"/> | |
21384 <param name="InitialQualityCutoff" value="0.5"/> | |
21385 <param name="OverallQualityCutoff" value="5.5"/> | |
21386 <param name="NrRTBins" value="10"/> | |
21387 <param name="MinPeptidesPerBin" value="1"/> | |
21388 <param name="MinBinsFilled" value="8"/> | |
21389 <section name="lowess"> | |
21390 <param name="span" value="0.05"/> | |
21391 </section> | |
21392 <section name="b_spline"> | |
21393 <param name="num_nodes" value="5"/> | |
21394 </section> | |
21395 </section> | |
21396 <section name="Scoring"> | |
21397 <param name="stop_report_after_feature" value="5"/> | |
21398 <param name="rt_normalization_factor" value="100.0"/> | |
21399 <param name="quantification_cutoff" value="0.0"/> | |
21400 <param name="write_convex_hull" value="false"/> | |
21401 <param name="spectrum_addition_method" value="simple"/> | |
21402 <param name="add_up_spectra" value="1"/> | |
21403 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21404 <param name="uis_threshold_sn" value="-1"/> | |
21405 <param name="uis_threshold_peak_area" value="0"/> | |
21406 <param name="scoring_model" value="default"/> | |
21407 <param name="im_extra_drift" value="0.0"/> | |
21408 <param name="strict" value="true"/> | |
21409 <section name="TransitionGroupPicker"> | |
21410 <param name="stop_after_feature" value="-1"/> | |
21411 <param name="min_peak_width" value="-1.0"/> | |
21412 <param name="peak_integration" value="original"/> | |
21413 <param name="background_subtraction" value="none"/> | |
21414 <param name="recalculate_peaks" value="true"/> | |
21415 <param name="use_precursors" value="false"/> | |
21416 <param name="use_consensus" value="true"/> | |
21417 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21418 <param name="minimal_quality" value="-1.5"/> | |
21419 <param name="resample_boundary" value="15.0"/> | |
21420 <param name="compute_peak_quality" value="false"/> | |
21421 <param name="compute_peak_shape_metrics" value="false"/> | |
21422 <param name="compute_total_mi" value="false"/> | |
21423 <param name="boundary_selection_method" value="largest"/> | |
21424 <section name="PeakPickerMRM"> | |
21425 <param name="sgolay_frame_length" value="11"/> | |
21426 <param name="sgolay_polynomial_order" value="3"/> | |
21427 <param name="gauss_width" value="30.0"/> | |
21428 <param name="use_gauss" value="false"/> | |
21429 <param name="peak_width" value="-1.0"/> | |
21430 <param name="signal_to_noise" value="0.1"/> | |
21431 <param name="write_sn_log_messages" value="false"/> | |
21432 <param name="remove_overlapping_peaks" value="true"/> | |
21433 <param name="method" value="corrected"/> | |
21434 </section> | |
21435 <section name="PeakIntegrator"> | |
21436 <param name="integration_type" value="intensity_sum"/> | |
21437 <param name="baseline_type" value="base_to_base"/> | |
21438 <param name="fit_EMG" value="false"/> | |
21439 </section> | |
21440 </section> | |
21441 <section name="DIAScoring"> | |
21442 <param name="dia_extraction_window" value="0.05"/> | |
21443 <param name="dia_extraction_unit" value="Th"/> | |
21444 <param name="dia_centroided" value="false"/> | |
21445 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21446 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21447 <param name="dia_nr_isotopes" value="4"/> | |
21448 <param name="dia_nr_charges" value="4"/> | |
21449 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21450 </section> | |
21451 <section name="EMGScoring"> | |
21452 <param name="max_iteration" value="10"/> | |
21453 </section> | |
21454 <section name="Scores"> | |
21455 <param name="use_shape_score" value="true"/> | |
21456 <param name="use_coelution_score" value="true"/> | |
21457 <param name="use_rt_score" value="true"/> | |
21458 <param name="use_library_score" value="true"/> | |
21459 <param name="use_intensity_score" value="true"/> | |
21460 <param name="use_nr_peaks_score" value="true"/> | |
21461 <param name="use_total_xic_score" value="true"/> | |
21462 <param name="use_total_mi_score" value="false"/> | |
21463 <param name="use_sn_score" value="true"/> | |
21464 <param name="use_mi_score" value="true"/> | |
21465 <param name="use_dia_scores" value="true"/> | |
21466 <param name="use_ms1_correlation" value="false"/> | |
21467 <param name="use_sonar_scores" value="false"/> | |
21468 <param name="use_ion_mobility_scores" value="false"/> | |
21469 <param name="use_ms1_fullscan" value="false"/> | |
21470 <param name="use_ms1_mi" value="true"/> | |
21471 <param name="use_uis_scores" value="false"/> | |
21472 </section> | |
21473 </section> | |
21474 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_osw_FLAG,out_chrom_FLAG"/> | |
21475 <output name="ctd_out" ftype="xml"> | |
21476 <assert_contents> | |
21477 <is_valid_xml/> | |
21478 </assert_contents> | |
21479 </output> | |
21480 </test> | |
21481 <test expect_num_outputs="3"> | |
21482 <conditional name="adv_opts_cond"> | |
21483 <param name="adv_opts_selector" value="advanced"/> | |
21484 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
21485 <param name="sort_swath_maps" value="false"/> | |
21486 <param name="enable_ms1" value="true"/> | |
21487 <param name="enable_ipf" value="true"/> | |
21488 <param name="out_chrom_type" value="mzML"/> | |
21489 <param name="min_upper_edge_dist" value="0.0"/> | |
21490 <param name="extra_rt_extraction_window" value="0.0"/> | |
21491 <param name="mz_extraction_window_unit" value="Th"/> | |
21492 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
21493 <param name="use_ms1_ion_mobility" value="true"/> | |
21494 <param name="matching_window_only" value="false"/> | |
21495 <param name="irt_mz_extraction_window" value="50.0"/> | |
21496 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
21497 <param name="irt_im_extraction_window" value="-1.0"/> | |
21498 <param name="min_rsq" value="0.95"/> | |
21499 <param name="min_coverage" value="0.6"/> | |
21500 <param name="split_file_input" value="false"/> | |
21501 <param name="use_elution_model_score" value="false"/> | |
21502 <param name="readOptions" value="normal"/> | |
21503 <param name="mz_correction_function" value="none"/> | |
21504 <param name="extraction_function" value="tophat"/> | |
21505 <param name="batchSize" value="1000"/> | |
21506 <param name="ms1_isotopes" value="2"/> | |
21507 <param name="force" value="false"/> | |
21508 <param name="test" value="true"/> | |
21509 </conditional> | |
21510 <param name="in" value="OpenSwathWorkflow_15_input.mzML"/> | |
21511 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
21512 <param name="tr_type" value=""/> | |
21513 <output name="out_features" file="OpenSwathWorkflow_15_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21514 <output name="out_chrom" file="OpenSwathWorkflow_15_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
21515 <param name="sonar" value="false"/> | |
21516 <param name="rt_extraction_window" value="600.0"/> | |
21517 <param name="ion_mobility_window" value="-1.0"/> | |
21518 <param name="mz_extraction_window" value="0.05"/> | |
21519 <param name="mz_extraction_window_ms1" value="50.0"/> | |
21520 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21521 <section name="Debugging"/> | |
21522 <section name="Calibration"> | |
21523 <param name="ms1_im_calibration" value="false"/> | |
21524 <param name="im_correction_function" value="linear"/> | |
21525 <param name="debug_im_file" value=""/> | |
21526 <param name="debug_mz_file" value=""/> | |
21527 </section> | |
21528 <section name="Library"> | |
21529 <param name="retentionTimeInterpretation" value="iRT"/> | |
21530 <param name="override_group_label_check" value="false"/> | |
21531 <param name="force_invalid_mods" value="false"/> | |
21532 </section> | |
21533 <section name="RTNormalization"> | |
21534 <param name="alignmentMethod" value="linear"/> | |
21535 <param name="outlierMethod" value="iter_residual"/> | |
21536 <param name="useIterativeChauvenet" value="false"/> | |
21537 <param name="RANSACMaxIterations" value="1000"/> | |
21538 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21539 <param name="RANSACSamplingSize" value="10"/> | |
21540 <param name="estimateBestPeptides" value="false"/> | |
21541 <param name="InitialQualityCutoff" value="0.5"/> | |
21542 <param name="OverallQualityCutoff" value="5.5"/> | |
21543 <param name="NrRTBins" value="10"/> | |
21544 <param name="MinPeptidesPerBin" value="1"/> | |
21545 <param name="MinBinsFilled" value="8"/> | |
21546 <section name="lowess"> | |
21547 <param name="span" value="0.05"/> | |
21548 </section> | |
21549 <section name="b_spline"> | |
21550 <param name="num_nodes" value="5"/> | |
21551 </section> | |
21552 </section> | |
21553 <section name="Scoring"> | |
21554 <param name="stop_report_after_feature" value="5"/> | |
21555 <param name="rt_normalization_factor" value="100.0"/> | |
21556 <param name="quantification_cutoff" value="0.0"/> | |
21557 <param name="write_convex_hull" value="false"/> | |
21558 <param name="spectrum_addition_method" value="simple"/> | |
21559 <param name="add_up_spectra" value="1"/> | |
21560 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21561 <param name="uis_threshold_sn" value="-1"/> | |
21562 <param name="uis_threshold_peak_area" value="0"/> | |
21563 <param name="scoring_model" value="default"/> | |
21564 <param name="im_extra_drift" value="0.0"/> | |
21565 <param name="strict" value="true"/> | |
21566 <section name="TransitionGroupPicker"> | |
21567 <param name="stop_after_feature" value="-1"/> | |
21568 <param name="min_peak_width" value="-1.0"/> | |
21569 <param name="peak_integration" value="original"/> | |
21570 <param name="background_subtraction" value="none"/> | |
21571 <param name="recalculate_peaks" value="true"/> | |
21572 <param name="use_precursors" value="true"/> | |
21573 <param name="use_consensus" value="true"/> | |
21574 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21575 <param name="minimal_quality" value="-1.5"/> | |
21576 <param name="resample_boundary" value="15.0"/> | |
21577 <param name="compute_peak_quality" value="false"/> | |
21578 <param name="compute_peak_shape_metrics" value="false"/> | |
21579 <param name="compute_total_mi" value="false"/> | |
21580 <param name="boundary_selection_method" value="largest"/> | |
21581 <section name="PeakPickerMRM"> | |
21582 <param name="sgolay_frame_length" value="11"/> | |
21583 <param name="sgolay_polynomial_order" value="3"/> | |
21584 <param name="gauss_width" value="30.0"/> | |
21585 <param name="use_gauss" value="false"/> | |
21586 <param name="peak_width" value="-1.0"/> | |
21587 <param name="signal_to_noise" value="0.1"/> | |
21588 <param name="write_sn_log_messages" value="false"/> | |
21589 <param name="remove_overlapping_peaks" value="true"/> | |
21590 <param name="method" value="corrected"/> | |
21591 </section> | |
21592 <section name="PeakIntegrator"> | |
21593 <param name="integration_type" value="intensity_sum"/> | |
21594 <param name="baseline_type" value="base_to_base"/> | |
21595 <param name="fit_EMG" value="false"/> | |
21596 </section> | |
21597 </section> | |
21598 <section name="DIAScoring"> | |
21599 <param name="dia_extraction_window" value="0.05"/> | |
21600 <param name="dia_extraction_unit" value="Th"/> | |
21601 <param name="dia_centroided" value="false"/> | |
21602 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21603 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21604 <param name="dia_nr_isotopes" value="4"/> | |
21605 <param name="dia_nr_charges" value="4"/> | |
21606 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21607 </section> | |
21608 <section name="EMGScoring"> | |
21609 <param name="max_iteration" value="10"/> | |
21610 </section> | |
21611 <section name="Scores"> | |
21612 <param name="use_shape_score" value="true"/> | |
21613 <param name="use_coelution_score" value="true"/> | |
21614 <param name="use_rt_score" value="true"/> | |
21615 <param name="use_library_score" value="true"/> | |
21616 <param name="use_intensity_score" value="true"/> | |
21617 <param name="use_nr_peaks_score" value="true"/> | |
21618 <param name="use_total_xic_score" value="true"/> | |
21619 <param name="use_total_mi_score" value="false"/> | |
21620 <param name="use_sn_score" value="true"/> | |
21621 <param name="use_mi_score" value="false"/> | |
21622 <param name="use_dia_scores" value="true"/> | |
21623 <param name="use_ms1_correlation" value="false"/> | |
21624 <param name="use_sonar_scores" value="false"/> | |
21625 <param name="use_ion_mobility_scores" value="false"/> | |
21626 <param name="use_ms1_fullscan" value="false"/> | |
21627 <param name="use_ms1_mi" value="false"/> | |
21628 <param name="use_uis_scores" value="false"/> | |
21629 </section> | |
21630 </section> | |
21631 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
21632 <output name="ctd_out" ftype="xml"> | |
21633 <assert_contents> | |
21634 <is_valid_xml/> | |
21635 </assert_contents> | |
21636 </output> | |
21637 </test> | |
21638 <test expect_num_outputs="3"> | |
21639 <conditional name="adv_opts_cond"> | |
21640 <param name="adv_opts_selector" value="advanced"/> | |
21641 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
21642 <param name="sort_swath_maps" value="false"/> | |
21643 <param name="enable_ms1" value="true"/> | |
21644 <param name="enable_ipf" value="true"/> | |
21645 <param name="out_chrom_type" value="mzML"/> | |
21646 <param name="min_upper_edge_dist" value="0.0"/> | |
21647 <param name="extra_rt_extraction_window" value="0.0"/> | |
21648 <param name="mz_extraction_window_unit" value="ppm"/> | |
21649 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
21650 <param name="use_ms1_ion_mobility" value="true"/> | |
21651 <param name="matching_window_only" value="false"/> | |
21652 <param name="irt_mz_extraction_window" value="50.0"/> | |
21653 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
21654 <param name="irt_im_extraction_window" value="-1.0"/> | |
21655 <param name="min_rsq" value="0.95"/> | |
21656 <param name="min_coverage" value="0.6"/> | |
21657 <param name="split_file_input" value="false"/> | |
21658 <param name="use_elution_model_score" value="false"/> | |
21659 <param name="readOptions" value="workingInMemory"/> | |
21660 <param name="mz_correction_function" value="none"/> | |
21661 <param name="extraction_function" value="tophat"/> | |
21662 <param name="batchSize" value="1000"/> | |
21663 <param name="ms1_isotopes" value="2"/> | |
21664 <param name="force" value="false"/> | |
21665 <param name="test" value="false"/> | |
21666 </conditional> | |
21667 <param name="in" value="OpenSwathWorkflow_16_input.sqMass"/> | |
21668 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
21669 <param name="tr_type" value=""/> | |
21670 <output name="out_features" file="OpenSwathWorkflow_16_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21671 <output name="out_chrom" file="OpenSwathWorkflow_16_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
21672 <param name="sonar" value="false"/> | |
21673 <param name="rt_extraction_window" value="600.0"/> | |
21674 <param name="ion_mobility_window" value="-1.0"/> | |
21675 <param name="mz_extraction_window" value="50.0"/> | |
21676 <param name="mz_extraction_window_ms1" value="50.0"/> | |
21677 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21678 <section name="Debugging"/> | |
21679 <section name="Calibration"> | |
21680 <param name="ms1_im_calibration" value="false"/> | |
21681 <param name="im_correction_function" value="linear"/> | |
21682 <param name="debug_im_file" value=""/> | |
21683 <param name="debug_mz_file" value=""/> | |
21684 </section> | |
21685 <section name="Library"> | |
21686 <param name="retentionTimeInterpretation" value="iRT"/> | |
21687 <param name="override_group_label_check" value="false"/> | |
21688 <param name="force_invalid_mods" value="false"/> | |
21689 </section> | |
21690 <section name="RTNormalization"> | |
21691 <param name="alignmentMethod" value="linear"/> | |
21692 <param name="outlierMethod" value="iter_residual"/> | |
21693 <param name="useIterativeChauvenet" value="false"/> | |
21694 <param name="RANSACMaxIterations" value="1000"/> | |
21695 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21696 <param name="RANSACSamplingSize" value="10"/> | |
21697 <param name="estimateBestPeptides" value="false"/> | |
21698 <param name="InitialQualityCutoff" value="0.5"/> | |
21699 <param name="OverallQualityCutoff" value="5.5"/> | |
21700 <param name="NrRTBins" value="10"/> | |
21701 <param name="MinPeptidesPerBin" value="1"/> | |
21702 <param name="MinBinsFilled" value="8"/> | |
21703 <section name="lowess"> | |
21704 <param name="span" value="0.05"/> | |
21705 </section> | |
21706 <section name="b_spline"> | |
21707 <param name="num_nodes" value="5"/> | |
21708 </section> | |
21709 </section> | |
21710 <section name="Scoring"> | |
21711 <param name="stop_report_after_feature" value="5"/> | |
21712 <param name="rt_normalization_factor" value="100.0"/> | |
21713 <param name="quantification_cutoff" value="0.0"/> | |
21714 <param name="write_convex_hull" value="false"/> | |
21715 <param name="spectrum_addition_method" value="simple"/> | |
21716 <param name="add_up_spectra" value="1"/> | |
21717 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21718 <param name="uis_threshold_sn" value="-1"/> | |
21719 <param name="uis_threshold_peak_area" value="0"/> | |
21720 <param name="scoring_model" value="default"/> | |
21721 <param name="im_extra_drift" value="0.0"/> | |
21722 <param name="strict" value="true"/> | |
21723 <section name="TransitionGroupPicker"> | |
21724 <param name="stop_after_feature" value="-1"/> | |
21725 <param name="min_peak_width" value="-1.0"/> | |
21726 <param name="peak_integration" value="original"/> | |
21727 <param name="background_subtraction" value="none"/> | |
21728 <param name="recalculate_peaks" value="true"/> | |
21729 <param name="use_precursors" value="false"/> | |
21730 <param name="use_consensus" value="true"/> | |
21731 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21732 <param name="minimal_quality" value="-1.5"/> | |
21733 <param name="resample_boundary" value="15.0"/> | |
21734 <param name="compute_peak_quality" value="false"/> | |
21735 <param name="compute_peak_shape_metrics" value="false"/> | |
21736 <param name="compute_total_mi" value="false"/> | |
21737 <param name="boundary_selection_method" value="largest"/> | |
21738 <section name="PeakPickerMRM"> | |
21739 <param name="sgolay_frame_length" value="11"/> | |
21740 <param name="sgolay_polynomial_order" value="3"/> | |
21741 <param name="gauss_width" value="30.0"/> | |
21742 <param name="use_gauss" value="false"/> | |
21743 <param name="peak_width" value="-1.0"/> | |
21744 <param name="signal_to_noise" value="0.1"/> | |
21745 <param name="write_sn_log_messages" value="false"/> | |
21746 <param name="remove_overlapping_peaks" value="true"/> | |
21747 <param name="method" value="corrected"/> | |
21748 </section> | |
21749 <section name="PeakIntegrator"> | |
21750 <param name="integration_type" value="intensity_sum"/> | |
21751 <param name="baseline_type" value="base_to_base"/> | |
21752 <param name="fit_EMG" value="false"/> | |
21753 </section> | |
21754 </section> | |
21755 <section name="DIAScoring"> | |
21756 <param name="dia_extraction_window" value="0.05"/> | |
21757 <param name="dia_extraction_unit" value="Th"/> | |
21758 <param name="dia_centroided" value="false"/> | |
21759 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21760 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21761 <param name="dia_nr_isotopes" value="4"/> | |
21762 <param name="dia_nr_charges" value="4"/> | |
21763 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21764 </section> | |
21765 <section name="EMGScoring"> | |
21766 <param name="max_iteration" value="10"/> | |
21767 </section> | |
21768 <section name="Scores"> | |
21769 <param name="use_shape_score" value="true"/> | |
21770 <param name="use_coelution_score" value="true"/> | |
21771 <param name="use_rt_score" value="true"/> | |
21772 <param name="use_library_score" value="true"/> | |
21773 <param name="use_intensity_score" value="true"/> | |
21774 <param name="use_nr_peaks_score" value="true"/> | |
21775 <param name="use_total_xic_score" value="true"/> | |
21776 <param name="use_total_mi_score" value="false"/> | |
21777 <param name="use_sn_score" value="true"/> | |
21778 <param name="use_mi_score" value="true"/> | |
21779 <param name="use_dia_scores" value="true"/> | |
21780 <param name="use_ms1_correlation" value="false"/> | |
21781 <param name="use_sonar_scores" value="false"/> | |
21782 <param name="use_ion_mobility_scores" value="false"/> | |
21783 <param name="use_ms1_fullscan" value="false"/> | |
21784 <param name="use_ms1_mi" value="true"/> | |
21785 <param name="use_uis_scores" value="false"/> | |
21786 </section> | |
21787 </section> | |
21788 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
21789 <output name="ctd_out" ftype="xml"> | |
21790 <assert_contents> | |
21791 <is_valid_xml/> | |
21792 </assert_contents> | |
21793 </output> | |
21794 </test> | |
21795 <test expect_num_outputs="3"> | |
21796 <conditional name="adv_opts_cond"> | |
21797 <param name="adv_opts_selector" value="advanced"/> | |
21798 <param name="sort_swath_maps" value="false"/> | |
21799 <param name="enable_ms1" value="true"/> | |
21800 <param name="enable_ipf" value="true"/> | |
21801 <param name="out_chrom_type" value="mzML"/> | |
21802 <param name="min_upper_edge_dist" value="0.0"/> | |
21803 <param name="extra_rt_extraction_window" value="0.0"/> | |
21804 <param name="mz_extraction_window_unit" value="ppm"/> | |
21805 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
21806 <param name="use_ms1_ion_mobility" value="false"/> | |
21807 <param name="matching_window_only" value="false"/> | |
21808 <param name="irt_mz_extraction_window" value="50.0"/> | |
21809 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
21810 <param name="irt_im_extraction_window" value="-1.0"/> | |
21811 <param name="min_rsq" value="0.95"/> | |
21812 <param name="min_coverage" value="0.6"/> | |
21813 <param name="split_file_input" value="false"/> | |
21814 <param name="use_elution_model_score" value="false"/> | |
21815 <param name="readOptions" value="workingInMemory"/> | |
21816 <param name="mz_correction_function" value="none"/> | |
21817 <param name="extraction_function" value="tophat"/> | |
21818 <param name="batchSize" value="1000"/> | |
21819 <param name="ms1_isotopes" value="3"/> | |
21820 <param name="force" value="false"/> | |
21821 <param name="test" value="false"/> | |
21822 </conditional> | |
21823 <param name="in" value="OpenSwathWorkflow_17_input.mzML"/> | |
21824 <param name="tr" value="OpenSwathWorkflow_17_input.tsv" ftype="tabular"/> | |
21825 <param name="tr_type" value=""/> | |
21826 <output name="out_features" file="OpenSwathWorkflow_17.featureXML.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21827 <output name="out_chrom" file="OpenSwathWorkflow_17.chrom.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
21828 <param name="sonar" value="false"/> | |
21829 <param name="rt_extraction_window" value="600.0"/> | |
21830 <param name="ion_mobility_window" value="0.05"/> | |
21831 <param name="mz_extraction_window" value="50.0"/> | |
21832 <param name="mz_extraction_window_ms1" value="50.0"/> | |
21833 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21834 <section name="Debugging"/> | |
21835 <section name="Calibration"> | |
21836 <param name="ms1_im_calibration" value="false"/> | |
21837 <param name="im_correction_function" value="linear"/> | |
21838 <param name="debug_im_file" value=""/> | |
21839 <param name="debug_mz_file" value=""/> | |
21840 </section> | |
21841 <section name="Library"> | |
21842 <param name="retentionTimeInterpretation" value="iRT"/> | |
21843 <param name="override_group_label_check" value="false"/> | |
21844 <param name="force_invalid_mods" value="false"/> | |
21845 </section> | |
21846 <section name="RTNormalization"> | |
21847 <param name="alignmentMethod" value="linear"/> | |
21848 <param name="outlierMethod" value="iter_residual"/> | |
21849 <param name="useIterativeChauvenet" value="false"/> | |
21850 <param name="RANSACMaxIterations" value="1000"/> | |
21851 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21852 <param name="RANSACSamplingSize" value="10"/> | |
21853 <param name="estimateBestPeptides" value="false"/> | |
21854 <param name="InitialQualityCutoff" value="0.5"/> | |
21855 <param name="OverallQualityCutoff" value="5.5"/> | |
21856 <param name="NrRTBins" value="10"/> | |
21857 <param name="MinPeptidesPerBin" value="1"/> | |
21858 <param name="MinBinsFilled" value="8"/> | |
21859 <section name="lowess"> | |
21860 <param name="span" value="0.05"/> | |
21861 </section> | |
21862 <section name="b_spline"> | |
21863 <param name="num_nodes" value="5"/> | |
21864 </section> | |
21865 </section> | |
21866 <section name="Scoring"> | |
21867 <param name="stop_report_after_feature" value="5"/> | |
21868 <param name="rt_normalization_factor" value="100.0"/> | |
21869 <param name="quantification_cutoff" value="0.0"/> | |
21870 <param name="write_convex_hull" value="false"/> | |
21871 <param name="spectrum_addition_method" value="simple"/> | |
21872 <param name="add_up_spectra" value="1"/> | |
21873 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21874 <param name="uis_threshold_sn" value="-1"/> | |
21875 <param name="uis_threshold_peak_area" value="0"/> | |
21876 <param name="scoring_model" value="default"/> | |
21877 <param name="im_extra_drift" value="0.0"/> | |
21878 <param name="strict" value="true"/> | |
21879 <section name="TransitionGroupPicker"> | |
21880 <param name="stop_after_feature" value="-1"/> | |
21881 <param name="min_peak_width" value="-1.0"/> | |
21882 <param name="peak_integration" value="original"/> | |
21883 <param name="background_subtraction" value="none"/> | |
21884 <param name="recalculate_peaks" value="true"/> | |
21885 <param name="use_precursors" value="false"/> | |
21886 <param name="use_consensus" value="true"/> | |
21887 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21888 <param name="minimal_quality" value="-1.5"/> | |
21889 <param name="resample_boundary" value="15.0"/> | |
21890 <param name="compute_peak_quality" value="false"/> | |
21891 <param name="compute_peak_shape_metrics" value="false"/> | |
21892 <param name="compute_total_mi" value="false"/> | |
21893 <param name="boundary_selection_method" value="largest"/> | |
21894 <section name="PeakPickerMRM"> | |
21895 <param name="sgolay_frame_length" value="11"/> | |
21896 <param name="sgolay_polynomial_order" value="3"/> | |
21897 <param name="gauss_width" value="30.0"/> | |
21898 <param name="use_gauss" value="false"/> | |
21899 <param name="peak_width" value="-1.0"/> | |
21900 <param name="signal_to_noise" value="0.1"/> | |
21901 <param name="write_sn_log_messages" value="false"/> | |
21902 <param name="remove_overlapping_peaks" value="true"/> | |
21903 <param name="method" value="corrected"/> | |
21904 </section> | |
21905 <section name="PeakIntegrator"> | |
21906 <param name="integration_type" value="intensity_sum"/> | |
21907 <param name="baseline_type" value="base_to_base"/> | |
21908 <param name="fit_EMG" value="false"/> | |
21909 </section> | |
21910 </section> | |
21911 <section name="DIAScoring"> | |
21912 <param name="dia_extraction_window" value="0.05"/> | |
21913 <param name="dia_extraction_unit" value="Th"/> | |
21914 <param name="dia_centroided" value="false"/> | |
21915 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21916 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21917 <param name="dia_nr_isotopes" value="4"/> | |
21918 <param name="dia_nr_charges" value="4"/> | |
21919 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21920 </section> | |
21921 <section name="EMGScoring"> | |
21922 <param name="max_iteration" value="10"/> | |
21923 </section> | |
21924 <section name="Scores"> | |
21925 <param name="use_shape_score" value="true"/> | |
21926 <param name="use_coelution_score" value="true"/> | |
21927 <param name="use_rt_score" value="true"/> | |
21928 <param name="use_library_score" value="true"/> | |
21929 <param name="use_intensity_score" value="true"/> | |
21930 <param name="use_nr_peaks_score" value="true"/> | |
21931 <param name="use_total_xic_score" value="true"/> | |
21932 <param name="use_total_mi_score" value="false"/> | |
21933 <param name="use_sn_score" value="true"/> | |
21934 <param name="use_mi_score" value="true"/> | |
21935 <param name="use_dia_scores" value="true"/> | |
21936 <param name="use_ms1_correlation" value="false"/> | |
21937 <param name="use_sonar_scores" value="false"/> | |
21938 <param name="use_ion_mobility_scores" value="true"/> | |
21939 <param name="use_ms1_fullscan" value="false"/> | |
21940 <param name="use_ms1_mi" value="true"/> | |
21941 <param name="use_uis_scores" value="false"/> | |
21942 </section> | |
21943 </section> | |
21944 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
21945 <output name="ctd_out" ftype="xml"> | |
21946 <assert_contents> | |
21947 <is_valid_xml/> | |
21948 </assert_contents> | |
21949 </output> | |
21950 </test> | |
21951 <test expect_num_outputs="3"> | |
21952 <conditional name="adv_opts_cond"> | |
21953 <param name="adv_opts_selector" value="advanced"/> | |
21954 <param name="sort_swath_maps" value="false"/> | |
21955 <param name="enable_ms1" value="true"/> | |
21956 <param name="enable_ipf" value="true"/> | |
21957 <param name="out_chrom_type" value="mzML"/> | |
21958 <param name="min_upper_edge_dist" value="0.0"/> | |
21959 <param name="extra_rt_extraction_window" value="0.0"/> | |
21960 <param name="mz_extraction_window_unit" value="ppm"/> | |
21961 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
21962 <param name="use_ms1_ion_mobility" value="false"/> | |
21963 <param name="matching_window_only" value="false"/> | |
21964 <param name="irt_mz_extraction_window" value="50.0"/> | |
21965 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
21966 <param name="irt_im_extraction_window" value="-1.0"/> | |
21967 <param name="min_rsq" value="0.95"/> | |
21968 <param name="min_coverage" value="0.6"/> | |
21969 <param name="split_file_input" value="false"/> | |
21970 <param name="use_elution_model_score" value="false"/> | |
21971 <param name="readOptions" value="cache"/> | |
21972 <param name="mz_correction_function" value="none"/> | |
21973 <param name="extraction_function" value="tophat"/> | |
21974 <param name="batchSize" value="1000"/> | |
21975 <param name="ms1_isotopes" value="3"/> | |
21976 <param name="force" value="false"/> | |
21977 <param name="test" value="false"/> | |
21978 </conditional> | |
21979 <param name="in" value="OpenSwathWorkflow_17_input.mzML"/> | |
21980 <param name="tr" value="OpenSwathWorkflow_17_input.tsv" ftype="tabular"/> | |
21981 <param name="tr_type" value=""/> | |
21982 <output name="out_features" file="OpenSwathWorkflow_17.featureXML.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21983 <output name="out_chrom" file="OpenSwathWorkflow_17.chrom.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
21984 <param name="sonar" value="false"/> | |
21985 <param name="rt_extraction_window" value="600.0"/> | |
21986 <param name="ion_mobility_window" value="0.05"/> | |
21987 <param name="mz_extraction_window" value="50.0"/> | |
21988 <param name="mz_extraction_window_ms1" value="50.0"/> | |
21989 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21990 <section name="Debugging"/> | |
21991 <section name="Calibration"> | |
21992 <param name="ms1_im_calibration" value="false"/> | |
21993 <param name="im_correction_function" value="linear"/> | |
21994 <param name="debug_im_file" value=""/> | |
21995 <param name="debug_mz_file" value=""/> | |
21996 </section> | |
21997 <section name="Library"> | |
21998 <param name="retentionTimeInterpretation" value="iRT"/> | |
21999 <param name="override_group_label_check" value="false"/> | |
22000 <param name="force_invalid_mods" value="false"/> | |
22001 </section> | |
22002 <section name="RTNormalization"> | |
22003 <param name="alignmentMethod" value="linear"/> | |
22004 <param name="outlierMethod" value="iter_residual"/> | |
22005 <param name="useIterativeChauvenet" value="false"/> | |
22006 <param name="RANSACMaxIterations" value="1000"/> | |
22007 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
22008 <param name="RANSACSamplingSize" value="10"/> | |
22009 <param name="estimateBestPeptides" value="false"/> | |
22010 <param name="InitialQualityCutoff" value="0.5"/> | |
22011 <param name="OverallQualityCutoff" value="5.5"/> | |
22012 <param name="NrRTBins" value="10"/> | |
22013 <param name="MinPeptidesPerBin" value="1"/> | |
22014 <param name="MinBinsFilled" value="8"/> | |
22015 <section name="lowess"> | |
22016 <param name="span" value="0.05"/> | |
22017 </section> | |
22018 <section name="b_spline"> | |
22019 <param name="num_nodes" value="5"/> | |
22020 </section> | |
22021 </section> | |
22022 <section name="Scoring"> | |
22023 <param name="stop_report_after_feature" value="5"/> | |
22024 <param name="rt_normalization_factor" value="100.0"/> | |
22025 <param name="quantification_cutoff" value="0.0"/> | |
22026 <param name="write_convex_hull" value="false"/> | |
22027 <param name="spectrum_addition_method" value="simple"/> | |
22028 <param name="add_up_spectra" value="1"/> | |
22029 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
22030 <param name="uis_threshold_sn" value="-1"/> | |
22031 <param name="uis_threshold_peak_area" value="0"/> | |
22032 <param name="scoring_model" value="default"/> | |
22033 <param name="im_extra_drift" value="0.0"/> | |
22034 <param name="strict" value="true"/> | |
22035 <section name="TransitionGroupPicker"> | |
22036 <param name="stop_after_feature" value="-1"/> | |
22037 <param name="min_peak_width" value="-1.0"/> | |
22038 <param name="peak_integration" value="original"/> | |
22039 <param name="background_subtraction" value="none"/> | |
22040 <param name="recalculate_peaks" value="true"/> | |
22041 <param name="use_precursors" value="false"/> | |
22042 <param name="use_consensus" value="true"/> | |
22043 <param name="recalculate_peaks_max_z" value="0.75"/> | |
22044 <param name="minimal_quality" value="-1.5"/> | |
22045 <param name="resample_boundary" value="15.0"/> | |
22046 <param name="compute_peak_quality" value="false"/> | |
22047 <param name="compute_peak_shape_metrics" value="false"/> | |
22048 <param name="compute_total_mi" value="false"/> | |
22049 <param name="boundary_selection_method" value="largest"/> | |
22050 <section name="PeakPickerMRM"> | |
22051 <param name="sgolay_frame_length" value="11"/> | |
22052 <param name="sgolay_polynomial_order" value="3"/> | |
22053 <param name="gauss_width" value="30.0"/> | |
22054 <param name="use_gauss" value="false"/> | |
22055 <param name="peak_width" value="-1.0"/> | |
22056 <param name="signal_to_noise" value="0.1"/> | |
22057 <param name="write_sn_log_messages" value="false"/> | |
22058 <param name="remove_overlapping_peaks" value="true"/> | |
22059 <param name="method" value="corrected"/> | |
22060 </section> | |
22061 <section name="PeakIntegrator"> | |
22062 <param name="integration_type" value="intensity_sum"/> | |
22063 <param name="baseline_type" value="base_to_base"/> | |
22064 <param name="fit_EMG" value="false"/> | |
22065 </section> | |
22066 </section> | |
22067 <section name="DIAScoring"> | |
22068 <param name="dia_extraction_window" value="0.05"/> | |
22069 <param name="dia_extraction_unit" value="Th"/> | |
22070 <param name="dia_centroided" value="false"/> | |
22071 <param name="dia_byseries_intensity_min" value="300.0"/> | |
22072 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
22073 <param name="dia_nr_isotopes" value="4"/> | |
22074 <param name="dia_nr_charges" value="4"/> | |
22075 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
22076 </section> | |
22077 <section name="EMGScoring"> | |
22078 <param name="max_iteration" value="10"/> | |
22079 </section> | |
22080 <section name="Scores"> | |
22081 <param name="use_shape_score" value="true"/> | |
22082 <param name="use_coelution_score" value="true"/> | |
22083 <param name="use_rt_score" value="true"/> | |
22084 <param name="use_library_score" value="true"/> | |
22085 <param name="use_intensity_score" value="true"/> | |
22086 <param name="use_nr_peaks_score" value="true"/> | |
22087 <param name="use_total_xic_score" value="true"/> | |
22088 <param name="use_total_mi_score" value="false"/> | |
22089 <param name="use_sn_score" value="true"/> | |
22090 <param name="use_mi_score" value="true"/> | |
22091 <param name="use_dia_scores" value="true"/> | |
22092 <param name="use_ms1_correlation" value="false"/> | |
22093 <param name="use_sonar_scores" value="false"/> | |
22094 <param name="use_ion_mobility_scores" value="true"/> | |
22095 <param name="use_ms1_fullscan" value="false"/> | |
22096 <param name="use_ms1_mi" value="true"/> | |
22097 <param name="use_uis_scores" value="false"/> | |
22098 </section> | |
22099 </section> | |
22100 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
22101 <output name="ctd_out" ftype="xml"> | |
22102 <assert_contents> | |
22103 <is_valid_xml/> | |
22104 </assert_contents> | |
22105 </output> | |
22106 </test> | |
22107 <test expect_num_outputs="3"> | |
22108 <conditional name="adv_opts_cond"> | |
22109 <param name="adv_opts_selector" value="advanced"/> | |
22110 <param name="sort_swath_maps" value="false"/> | |
22111 <param name="enable_ms1" value="true"/> | |
22112 <param name="enable_ipf" value="true"/> | |
22113 <param name="out_chrom_type" value="mzML"/> | |
22114 <param name="min_upper_edge_dist" value="0.0"/> | |
22115 <param name="extra_rt_extraction_window" value="0.0"/> | |
22116 <param name="mz_extraction_window_unit" value="ppm"/> | |
22117 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
22118 <param name="use_ms1_ion_mobility" value="false"/> | |
22119 <param name="matching_window_only" value="false"/> | |
22120 <param name="irt_mz_extraction_window" value="50.0"/> | |
22121 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
22122 <param name="irt_im_extraction_window" value="-1.0"/> | |
22123 <param name="min_rsq" value="0.95"/> | |
22124 <param name="min_coverage" value="0.6"/> | |
22125 <param name="split_file_input" value="false"/> | |
22126 <param name="use_elution_model_score" value="false"/> | |
22127 <param name="readOptions" value="workingInMemory"/> | |
22128 <param name="mz_correction_function" value="none"/> | |
22129 <param name="extraction_function" value="tophat"/> | |
22130 <param name="batchSize" value="1000"/> | |
22131 <param name="ms1_isotopes" value="3"/> | |
22132 <param name="force" value="false"/> | |
22133 <param name="test" value="false"/> | |
22134 </conditional> | |
22135 <param name="in" value="OpenSwathWorkflow_17_input.mzML"/> | |
22136 <param name="tr" value="OpenSwathWorkflow_17_input.pqp.tmp"/> | |
22137 <param name="tr_type" value="pqp"/> | |
22138 <output name="out_features" file="OpenSwathWorkflow_17_b_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
22139 <output name="out_chrom" file="OpenSwathWorkflow_17_b_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22140 <param name="sonar" value="false"/> | |
22141 <param name="rt_extraction_window" value="600.0"/> | |
22142 <param name="ion_mobility_window" value="0.05"/> | |
22143 <param name="mz_extraction_window" value="50.0"/> | |
22144 <param name="mz_extraction_window_ms1" value="50.0"/> | |
22145 <param name="im_extraction_window_ms1" value="-1.0"/> | |
22146 <section name="Debugging"/> | |
22147 <section name="Calibration"> | |
22148 <param name="ms1_im_calibration" value="false"/> | |
22149 <param name="im_correction_function" value="linear"/> | |
22150 <param name="debug_im_file" value=""/> | |
22151 <param name="debug_mz_file" value=""/> | |
22152 </section> | |
22153 <section name="Library"> | |
22154 <param name="retentionTimeInterpretation" value="iRT"/> | |
22155 <param name="override_group_label_check" value="false"/> | |
22156 <param name="force_invalid_mods" value="false"/> | |
22157 </section> | |
22158 <section name="RTNormalization"> | |
22159 <param name="alignmentMethod" value="linear"/> | |
22160 <param name="outlierMethod" value="iter_residual"/> | |
22161 <param name="useIterativeChauvenet" value="false"/> | |
22162 <param name="RANSACMaxIterations" value="1000"/> | |
22163 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
22164 <param name="RANSACSamplingSize" value="10"/> | |
22165 <param name="estimateBestPeptides" value="false"/> | |
22166 <param name="InitialQualityCutoff" value="0.5"/> | |
22167 <param name="OverallQualityCutoff" value="5.5"/> | |
22168 <param name="NrRTBins" value="10"/> | |
22169 <param name="MinPeptidesPerBin" value="1"/> | |
22170 <param name="MinBinsFilled" value="8"/> | |
22171 <section name="lowess"> | |
22172 <param name="span" value="0.05"/> | |
22173 </section> | |
22174 <section name="b_spline"> | |
22175 <param name="num_nodes" value="5"/> | |
22176 </section> | |
22177 </section> | |
22178 <section name="Scoring"> | |
22179 <param name="stop_report_after_feature" value="5"/> | |
22180 <param name="rt_normalization_factor" value="100.0"/> | |
22181 <param name="quantification_cutoff" value="0.0"/> | |
22182 <param name="write_convex_hull" value="false"/> | |
22183 <param name="spectrum_addition_method" value="simple"/> | |
22184 <param name="add_up_spectra" value="1"/> | |
22185 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
22186 <param name="uis_threshold_sn" value="-1"/> | |
22187 <param name="uis_threshold_peak_area" value="0"/> | |
22188 <param name="scoring_model" value="default"/> | |
22189 <param name="im_extra_drift" value="0.0"/> | |
22190 <param name="strict" value="true"/> | |
22191 <section name="TransitionGroupPicker"> | |
22192 <param name="stop_after_feature" value="-1"/> | |
22193 <param name="min_peak_width" value="-1.0"/> | |
22194 <param name="peak_integration" value="original"/> | |
22195 <param name="background_subtraction" value="none"/> | |
22196 <param name="recalculate_peaks" value="true"/> | |
22197 <param name="use_precursors" value="false"/> | |
22198 <param name="use_consensus" value="true"/> | |
22199 <param name="recalculate_peaks_max_z" value="0.75"/> | |
22200 <param name="minimal_quality" value="-1.5"/> | |
22201 <param name="resample_boundary" value="15.0"/> | |
22202 <param name="compute_peak_quality" value="false"/> | |
22203 <param name="compute_peak_shape_metrics" value="false"/> | |
22204 <param name="compute_total_mi" value="false"/> | |
22205 <param name="boundary_selection_method" value="largest"/> | |
22206 <section name="PeakPickerMRM"> | |
22207 <param name="sgolay_frame_length" value="11"/> | |
22208 <param name="sgolay_polynomial_order" value="3"/> | |
22209 <param name="gauss_width" value="30.0"/> | |
22210 <param name="use_gauss" value="false"/> | |
22211 <param name="peak_width" value="-1.0"/> | |
22212 <param name="signal_to_noise" value="0.1"/> | |
22213 <param name="write_sn_log_messages" value="false"/> | |
22214 <param name="remove_overlapping_peaks" value="true"/> | |
22215 <param name="method" value="corrected"/> | |
22216 </section> | |
22217 <section name="PeakIntegrator"> | |
22218 <param name="integration_type" value="intensity_sum"/> | |
22219 <param name="baseline_type" value="base_to_base"/> | |
22220 <param name="fit_EMG" value="false"/> | |
22221 </section> | |
22222 </section> | |
22223 <section name="DIAScoring"> | |
22224 <param name="dia_extraction_window" value="0.05"/> | |
22225 <param name="dia_extraction_unit" value="Th"/> | |
22226 <param name="dia_centroided" value="false"/> | |
22227 <param name="dia_byseries_intensity_min" value="300.0"/> | |
22228 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
22229 <param name="dia_nr_isotopes" value="4"/> | |
22230 <param name="dia_nr_charges" value="4"/> | |
22231 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
22232 </section> | |
22233 <section name="EMGScoring"> | |
22234 <param name="max_iteration" value="10"/> | |
22235 </section> | |
22236 <section name="Scores"> | |
22237 <param name="use_shape_score" value="true"/> | |
22238 <param name="use_coelution_score" value="true"/> | |
22239 <param name="use_rt_score" value="true"/> | |
22240 <param name="use_library_score" value="true"/> | |
22241 <param name="use_intensity_score" value="true"/> | |
22242 <param name="use_nr_peaks_score" value="true"/> | |
22243 <param name="use_total_xic_score" value="true"/> | |
22244 <param name="use_total_mi_score" value="false"/> | |
22245 <param name="use_sn_score" value="true"/> | |
22246 <param name="use_mi_score" value="true"/> | |
22247 <param name="use_dia_scores" value="true"/> | |
22248 <param name="use_ms1_correlation" value="false"/> | |
22249 <param name="use_sonar_scores" value="false"/> | |
22250 <param name="use_ion_mobility_scores" value="false"/> | |
22251 <param name="use_ms1_fullscan" value="false"/> | |
22252 <param name="use_ms1_mi" value="true"/> | |
22253 <param name="use_uis_scores" value="false"/> | |
22254 </section> | |
22255 </section> | |
22256 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
22257 <output name="ctd_out" ftype="xml"> | |
22258 <assert_contents> | |
22259 <is_valid_xml/> | |
22260 </assert_contents> | |
22261 </output> | |
22262 </test> | |
22263 <test expect_num_outputs="2"> | |
22264 <conditional name="adv_opts_cond"> | |
22265 <param name="adv_opts_selector" value="advanced"/> | |
22266 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
22267 <param name="sort_swath_maps" value="false"/> | |
22268 <param name="enable_ms1" value="true"/> | |
22269 <param name="enable_ipf" value="true"/> | |
22270 <param name="min_upper_edge_dist" value="0.0"/> | |
22271 <param name="extra_rt_extraction_window" value="0.0"/> | |
22272 <param name="mz_extraction_window_unit" value="Th"/> | |
22273 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
22274 <param name="use_ms1_ion_mobility" value="true"/> | |
22275 <param name="matching_window_only" value="false"/> | |
22276 <param name="irt_mz_extraction_window" value="50.0"/> | |
22277 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
22278 <param name="irt_im_extraction_window" value="-1.0"/> | |
22279 <param name="min_rsq" value="0.95"/> | |
22280 <param name="min_coverage" value="0.6"/> | |
22281 <param name="split_file_input" value="false"/> | |
22282 <param name="use_elution_model_score" value="false"/> | |
22283 <param name="readOptions" value="normal"/> | |
22284 <param name="mz_correction_function" value="none"/> | |
22285 <param name="extraction_function" value="tophat"/> | |
22286 <param name="batchSize" value="1000"/> | |
22287 <param name="ms1_isotopes" value="0"/> | |
22288 <param name="force" value="false"/> | |
22289 <param name="test" value="true"/> | |
22290 </conditional> | |
22291 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
22292 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
22293 <param name="tr_type" value=""/> | |
22294 <output name="out_features" file="OpenSwathWorkflow_18_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
22295 <param name="sonar" value="false"/> | |
22296 <param name="rt_extraction_window" value="600.0"/> | |
22297 <param name="ion_mobility_window" value="-1.0"/> | |
22298 <param name="mz_extraction_window" value="0.05"/> | |
22299 <param name="mz_extraction_window_ms1" value="50.0"/> | |
22300 <param name="im_extraction_window_ms1" value="-1.0"/> | |
22301 <section name="Debugging"/> | |
22302 <section name="Calibration"> | |
22303 <param name="ms1_im_calibration" value="false"/> | |
22304 <param name="im_correction_function" value="linear"/> | |
22305 <param name="debug_im_file" value=""/> | |
22306 <param name="debug_mz_file" value=""/> | |
22307 </section> | |
22308 <section name="Library"> | |
22309 <param name="retentionTimeInterpretation" value="iRT"/> | |
22310 <param name="override_group_label_check" value="false"/> | |
22311 <param name="force_invalid_mods" value="false"/> | |
22312 </section> | |
22313 <section name="RTNormalization"> | |
22314 <param name="alignmentMethod" value="linear"/> | |
22315 <param name="outlierMethod" value="iter_residual"/> | |
22316 <param name="useIterativeChauvenet" value="false"/> | |
22317 <param name="RANSACMaxIterations" value="1000"/> | |
22318 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
22319 <param name="RANSACSamplingSize" value="10"/> | |
22320 <param name="estimateBestPeptides" value="false"/> | |
22321 <param name="InitialQualityCutoff" value="0.5"/> | |
22322 <param name="OverallQualityCutoff" value="5.5"/> | |
22323 <param name="NrRTBins" value="10"/> | |
22324 <param name="MinPeptidesPerBin" value="1"/> | |
22325 <param name="MinBinsFilled" value="8"/> | |
22326 <section name="lowess"> | |
22327 <param name="span" value="0.05"/> | |
22328 </section> | |
22329 <section name="b_spline"> | |
22330 <param name="num_nodes" value="5"/> | |
22331 </section> | |
22332 </section> | |
22333 <section name="Scoring"> | |
22334 <param name="stop_report_after_feature" value="5"/> | |
22335 <param name="rt_normalization_factor" value="100.0"/> | |
22336 <param name="quantification_cutoff" value="0.0"/> | |
22337 <param name="write_convex_hull" value="false"/> | |
22338 <param name="spectrum_addition_method" value="simple"/> | |
22339 <param name="add_up_spectra" value="1"/> | |
22340 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
22341 <param name="uis_threshold_sn" value="-1"/> | |
22342 <param name="uis_threshold_peak_area" value="0"/> | |
22343 <param name="scoring_model" value="default"/> | |
22344 <param name="im_extra_drift" value="0.0"/> | |
22345 <param name="strict" value="true"/> | |
22346 <section name="TransitionGroupPicker"> | |
22347 <param name="stop_after_feature" value="-1"/> | |
22348 <param name="min_peak_width" value="-1.0"/> | |
22349 <param name="peak_integration" value="original"/> | |
22350 <param name="background_subtraction" value="none"/> | |
22351 <param name="recalculate_peaks" value="true"/> | |
22352 <param name="use_precursors" value="false"/> | |
22353 <param name="use_consensus" value="true"/> | |
22354 <param name="recalculate_peaks_max_z" value="0.75"/> | |
22355 <param name="minimal_quality" value="-1.5"/> | |
22356 <param name="resample_boundary" value="15.0"/> | |
22357 <param name="compute_peak_quality" value="true"/> | |
22358 <param name="compute_peak_shape_metrics" value="false"/> | |
22359 <param name="compute_total_mi" value="false"/> | |
22360 <param name="boundary_selection_method" value="largest"/> | |
22361 <section name="PeakPickerMRM"> | |
22362 <param name="sgolay_frame_length" value="11"/> | |
22363 <param name="sgolay_polynomial_order" value="3"/> | |
22364 <param name="gauss_width" value="30.0"/> | |
22365 <param name="use_gauss" value="false"/> | |
22366 <param name="peak_width" value="-1.0"/> | |
22367 <param name="signal_to_noise" value="0.1"/> | |
22368 <param name="write_sn_log_messages" value="false"/> | |
22369 <param name="remove_overlapping_peaks" value="true"/> | |
22370 <param name="method" value="corrected"/> | |
22371 </section> | |
22372 <section name="PeakIntegrator"> | |
22373 <param name="integration_type" value="intensity_sum"/> | |
22374 <param name="baseline_type" value="base_to_base"/> | |
22375 <param name="fit_EMG" value="false"/> | |
22376 </section> | |
22377 </section> | |
22378 <section name="DIAScoring"> | |
22379 <param name="dia_extraction_window" value="0.05"/> | |
22380 <param name="dia_extraction_unit" value="Th"/> | |
22381 <param name="dia_centroided" value="false"/> | |
22382 <param name="dia_byseries_intensity_min" value="300.0"/> | |
22383 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
22384 <param name="dia_nr_isotopes" value="4"/> | |
22385 <param name="dia_nr_charges" value="4"/> | |
22386 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
22387 </section> | |
22388 <section name="EMGScoring"> | |
22389 <param name="max_iteration" value="10"/> | |
22390 </section> | |
22391 <section name="Scores"> | |
22392 <param name="use_shape_score" value="true"/> | |
22393 <param name="use_coelution_score" value="true"/> | |
22394 <param name="use_rt_score" value="true"/> | |
22395 <param name="use_library_score" value="true"/> | |
22396 <param name="use_intensity_score" value="true"/> | |
22397 <param name="use_nr_peaks_score" value="true"/> | |
22398 <param name="use_total_xic_score" value="true"/> | |
22399 <param name="use_total_mi_score" value="false"/> | |
22400 <param name="use_sn_score" value="true"/> | |
22401 <param name="use_mi_score" value="false"/> | |
22402 <param name="use_dia_scores" value="true"/> | |
22403 <param name="use_ms1_correlation" value="false"/> | |
22404 <param name="use_sonar_scores" value="false"/> | |
22405 <param name="use_ion_mobility_scores" value="false"/> | |
22406 <param name="use_ms1_fullscan" value="false"/> | |
22407 <param name="use_ms1_mi" value="true"/> | |
22408 <param name="use_uis_scores" value="false"/> | |
22409 </section> | |
22410 </section> | |
22411 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG"/> | |
22412 <output name="ctd_out" ftype="xml"> | |
22413 <assert_contents> | |
22414 <is_valid_xml/> | |
22415 </assert_contents> | |
22416 </output> | |
22417 </test> | |
22418 <test expect_num_outputs="2"> | |
22419 <conditional name="adv_opts_cond"> | |
22420 <param name="adv_opts_selector" value="advanced"/> | |
22421 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
22422 <param name="sort_swath_maps" value="false"/> | |
22423 <param name="enable_ms1" value="true"/> | |
22424 <param name="enable_ipf" value="true"/> | |
22425 <param name="min_upper_edge_dist" value="0.0"/> | |
22426 <param name="extra_rt_extraction_window" value="0.0"/> | |
22427 <param name="mz_extraction_window_unit" value="Th"/> | |
22428 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
22429 <param name="use_ms1_ion_mobility" value="true"/> | |
22430 <param name="matching_window_only" value="false"/> | |
22431 <param name="irt_mz_extraction_window" value="50.0"/> | |
22432 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
22433 <param name="irt_im_extraction_window" value="-1.0"/> | |
22434 <param name="min_rsq" value="0.95"/> | |
22435 <param name="min_coverage" value="0.6"/> | |
22436 <param name="split_file_input" value="false"/> | |
22437 <param name="use_elution_model_score" value="false"/> | |
22438 <param name="readOptions" value="normal"/> | |
22439 <param name="mz_correction_function" value="none"/> | |
22440 <param name="extraction_function" value="tophat"/> | |
22441 <param name="batchSize" value="1000"/> | |
22442 <param name="ms1_isotopes" value="0"/> | |
22443 <param name="force" value="false"/> | |
22444 <param name="test" value="true"/> | |
22445 </conditional> | |
22446 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
22447 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
22448 <param name="tr_type" value=""/> | |
22449 <output name="out_features" file="OpenSwathWorkflow_19_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
22450 <param name="sonar" value="false"/> | |
22451 <param name="rt_extraction_window" value="600.0"/> | |
22452 <param name="ion_mobility_window" value="-1.0"/> | |
22453 <param name="mz_extraction_window" value="0.05"/> | |
22454 <param name="mz_extraction_window_ms1" value="50.0"/> | |
22455 <param name="im_extraction_window_ms1" value="-1.0"/> | |
22456 <section name="Debugging"/> | |
22457 <section name="Calibration"> | |
22458 <param name="ms1_im_calibration" value="false"/> | |
22459 <param name="im_correction_function" value="linear"/> | |
22460 <param name="debug_im_file" value=""/> | |
22461 <param name="debug_mz_file" value=""/> | |
22462 </section> | |
22463 <section name="Library"> | |
22464 <param name="retentionTimeInterpretation" value="iRT"/> | |
22465 <param name="override_group_label_check" value="false"/> | |
22466 <param name="force_invalid_mods" value="false"/> | |
22467 </section> | |
22468 <section name="RTNormalization"> | |
22469 <param name="alignmentMethod" value="linear"/> | |
22470 <param name="outlierMethod" value="iter_residual"/> | |
22471 <param name="useIterativeChauvenet" value="false"/> | |
22472 <param name="RANSACMaxIterations" value="1000"/> | |
22473 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
22474 <param name="RANSACSamplingSize" value="10"/> | |
22475 <param name="estimateBestPeptides" value="false"/> | |
22476 <param name="InitialQualityCutoff" value="0.5"/> | |
22477 <param name="OverallQualityCutoff" value="5.5"/> | |
22478 <param name="NrRTBins" value="10"/> | |
22479 <param name="MinPeptidesPerBin" value="1"/> | |
22480 <param name="MinBinsFilled" value="8"/> | |
22481 <section name="lowess"> | |
22482 <param name="span" value="0.05"/> | |
22483 </section> | |
22484 <section name="b_spline"> | |
22485 <param name="num_nodes" value="5"/> | |
22486 </section> | |
22487 </section> | |
22488 <section name="Scoring"> | |
22489 <param name="stop_report_after_feature" value="5"/> | |
22490 <param name="rt_normalization_factor" value="100.0"/> | |
22491 <param name="quantification_cutoff" value="0.0"/> | |
22492 <param name="write_convex_hull" value="false"/> | |
22493 <param name="spectrum_addition_method" value="simple"/> | |
22494 <param name="add_up_spectra" value="1"/> | |
22495 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
22496 <param name="uis_threshold_sn" value="-1"/> | |
22497 <param name="uis_threshold_peak_area" value="0"/> | |
22498 <param name="scoring_model" value="default"/> | |
22499 <param name="im_extra_drift" value="0.0"/> | |
22500 <param name="strict" value="true"/> | |
22501 <section name="TransitionGroupPicker"> | |
22502 <param name="stop_after_feature" value="-1"/> | |
22503 <param name="min_peak_width" value="-1.0"/> | |
22504 <param name="peak_integration" value="original"/> | |
22505 <param name="background_subtraction" value="none"/> | |
22506 <param name="recalculate_peaks" value="true"/> | |
22507 <param name="use_precursors" value="false"/> | |
22508 <param name="use_consensus" value="true"/> | |
22509 <param name="recalculate_peaks_max_z" value="0.75"/> | |
22510 <param name="minimal_quality" value="-1.5"/> | |
22511 <param name="resample_boundary" value="15.0"/> | |
22512 <param name="compute_peak_quality" value="true"/> | |
22513 <param name="compute_peak_shape_metrics" value="false"/> | |
22514 <param name="compute_total_mi" value="false"/> | |
22515 <param name="boundary_selection_method" value="largest"/> | |
22516 <section name="PeakPickerMRM"> | |
22517 <param name="sgolay_frame_length" value="11"/> | |
22518 <param name="sgolay_polynomial_order" value="3"/> | |
22519 <param name="gauss_width" value="30.0"/> | |
22520 <param name="use_gauss" value="false"/> | |
22521 <param name="peak_width" value="-1.0"/> | |
22522 <param name="signal_to_noise" value="0.1"/> | |
22523 <param name="write_sn_log_messages" value="false"/> | |
22524 <param name="remove_overlapping_peaks" value="true"/> | |
22525 <param name="method" value="corrected"/> | |
22526 </section> | |
22527 <section name="PeakIntegrator"> | |
22528 <param name="integration_type" value="intensity_sum"/> | |
22529 <param name="baseline_type" value="base_to_base"/> | |
22530 <param name="fit_EMG" value="false"/> | |
22531 </section> | |
22532 </section> | |
22533 <section name="DIAScoring"> | |
22534 <param name="dia_extraction_window" value="0.05"/> | |
22535 <param name="dia_extraction_unit" value="Th"/> | |
22536 <param name="dia_centroided" value="false"/> | |
22537 <param name="dia_byseries_intensity_min" value="300.0"/> | |
22538 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
22539 <param name="dia_nr_isotopes" value="4"/> | |
22540 <param name="dia_nr_charges" value="4"/> | |
22541 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
22542 </section> | |
22543 <section name="EMGScoring"> | |
22544 <param name="max_iteration" value="10"/> | |
22545 </section> | |
22546 <section name="Scores"> | |
22547 <param name="use_shape_score" value="true"/> | |
22548 <param name="use_coelution_score" value="true"/> | |
22549 <param name="use_rt_score" value="true"/> | |
22550 <param name="use_library_score" value="true"/> | |
22551 <param name="use_intensity_score" value="true"/> | |
22552 <param name="use_nr_peaks_score" value="true"/> | |
22553 <param name="use_total_xic_score" value="true"/> | |
22554 <param name="use_total_mi_score" value="false"/> | |
22555 <param name="use_sn_score" value="true"/> | |
22556 <param name="use_mi_score" value="true"/> | |
22557 <param name="use_dia_scores" value="true"/> | |
22558 <param name="use_ms1_correlation" value="false"/> | |
22559 <param name="use_sonar_scores" value="false"/> | |
22560 <param name="use_ion_mobility_scores" value="false"/> | |
22561 <param name="use_ms1_fullscan" value="false"/> | |
22562 <param name="use_ms1_mi" value="false"/> | |
22563 <param name="use_uis_scores" value="false"/> | |
22564 </section> | |
22565 </section> | |
22566 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG"/> | |
22567 <output name="ctd_out" ftype="xml"> | |
22568 <assert_contents> | |
22569 <is_valid_xml/> | |
22570 </assert_contents> | |
22571 </output> | |
22572 </test> | |
22573 <test expect_num_outputs="2"> | |
22574 <conditional name="adv_opts_cond"> | |
22575 <param name="adv_opts_selector" value="advanced"/> | |
22576 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
22577 <param name="sort_swath_maps" value="false"/> | |
22578 <param name="enable_ms1" value="true"/> | |
22579 <param name="enable_ipf" value="true"/> | |
22580 <param name="min_upper_edge_dist" value="0.0"/> | |
22581 <param name="extra_rt_extraction_window" value="0.0"/> | |
22582 <param name="mz_extraction_window_unit" value="Th"/> | |
22583 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
22584 <param name="use_ms1_ion_mobility" value="true"/> | |
22585 <param name="matching_window_only" value="false"/> | |
22586 <param name="irt_mz_extraction_window" value="50.0"/> | |
22587 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
22588 <param name="irt_im_extraction_window" value="-1.0"/> | |
22589 <param name="min_rsq" value="0.95"/> | |
22590 <param name="min_coverage" value="0.6"/> | |
22591 <param name="split_file_input" value="false"/> | |
22592 <param name="use_elution_model_score" value="false"/> | |
22593 <param name="readOptions" value="normal"/> | |
22594 <param name="mz_correction_function" value="none"/> | |
22595 <param name="extraction_function" value="tophat"/> | |
22596 <param name="batchSize" value="1000"/> | |
22597 <param name="ms1_isotopes" value="0"/> | |
22598 <param name="force" value="false"/> | |
22599 <param name="test" value="true"/> | |
22600 </conditional> | |
22601 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
22602 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
22603 <param name="tr_type" value=""/> | |
22604 <output name="out_features" file="OpenSwathWorkflow_20_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
22605 <param name="sonar" value="false"/> | |
22606 <param name="rt_extraction_window" value="600.0"/> | |
22607 <param name="ion_mobility_window" value="-1.0"/> | |
22608 <param name="mz_extraction_window" value="0.05"/> | |
22609 <param name="mz_extraction_window_ms1" value="50.0"/> | |
22610 <param name="im_extraction_window_ms1" value="-1.0"/> | |
22611 <section name="Debugging"/> | |
22612 <section name="Calibration"> | |
22613 <param name="ms1_im_calibration" value="false"/> | |
22614 <param name="im_correction_function" value="linear"/> | |
22615 <param name="debug_im_file" value=""/> | |
22616 <param name="debug_mz_file" value=""/> | |
22617 </section> | |
22618 <section name="Library"> | |
22619 <param name="retentionTimeInterpretation" value="iRT"/> | |
22620 <param name="override_group_label_check" value="false"/> | |
22621 <param name="force_invalid_mods" value="false"/> | |
22622 </section> | |
22623 <section name="RTNormalization"> | |
22624 <param name="alignmentMethod" value="linear"/> | |
22625 <param name="outlierMethod" value="iter_residual"/> | |
22626 <param name="useIterativeChauvenet" value="false"/> | |
22627 <param name="RANSACMaxIterations" value="1000"/> | |
22628 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
22629 <param name="RANSACSamplingSize" value="10"/> | |
22630 <param name="estimateBestPeptides" value="false"/> | |
22631 <param name="InitialQualityCutoff" value="0.5"/> | |
22632 <param name="OverallQualityCutoff" value="5.5"/> | |
22633 <param name="NrRTBins" value="10"/> | |
22634 <param name="MinPeptidesPerBin" value="1"/> | |
22635 <param name="MinBinsFilled" value="8"/> | |
22636 <section name="lowess"> | |
22637 <param name="span" value="0.05"/> | |
22638 </section> | |
22639 <section name="b_spline"> | |
22640 <param name="num_nodes" value="5"/> | |
22641 </section> | |
22642 </section> | |
22643 <section name="Scoring"> | |
22644 <param name="stop_report_after_feature" value="5"/> | |
22645 <param name="rt_normalization_factor" value="100.0"/> | |
22646 <param name="quantification_cutoff" value="0.0"/> | |
22647 <param name="write_convex_hull" value="false"/> | |
22648 <param name="spectrum_addition_method" value="simple"/> | |
22649 <param name="add_up_spectra" value="1"/> | |
22650 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
22651 <param name="uis_threshold_sn" value="-1"/> | |
22652 <param name="uis_threshold_peak_area" value="0"/> | |
22653 <param name="scoring_model" value="default"/> | |
22654 <param name="im_extra_drift" value="0.0"/> | |
22655 <param name="strict" value="true"/> | |
22656 <section name="TransitionGroupPicker"> | |
22657 <param name="stop_after_feature" value="-1"/> | |
22658 <param name="min_peak_width" value="-1.0"/> | |
22659 <param name="peak_integration" value="original"/> | |
22660 <param name="background_subtraction" value="none"/> | |
22661 <param name="recalculate_peaks" value="true"/> | |
22662 <param name="use_precursors" value="false"/> | |
22663 <param name="use_consensus" value="true"/> | |
22664 <param name="recalculate_peaks_max_z" value="0.75"/> | |
22665 <param name="minimal_quality" value="-1.5"/> | |
22666 <param name="resample_boundary" value="15.0"/> | |
22667 <param name="compute_peak_quality" value="true"/> | |
22668 <param name="compute_peak_shape_metrics" value="false"/> | |
22669 <param name="compute_total_mi" value="false"/> | |
22670 <param name="boundary_selection_method" value="largest"/> | |
22671 <section name="PeakPickerMRM"> | |
22672 <param name="sgolay_frame_length" value="11"/> | |
22673 <param name="sgolay_polynomial_order" value="3"/> | |
22674 <param name="gauss_width" value="30.0"/> | |
22675 <param name="use_gauss" value="false"/> | |
22676 <param name="peak_width" value="-1.0"/> | |
22677 <param name="signal_to_noise" value="0.1"/> | |
22678 <param name="write_sn_log_messages" value="false"/> | |
22679 <param name="remove_overlapping_peaks" value="true"/> | |
22680 <param name="method" value="corrected"/> | |
22681 </section> | |
22682 <section name="PeakIntegrator"> | |
22683 <param name="integration_type" value="intensity_sum"/> | |
22684 <param name="baseline_type" value="base_to_base"/> | |
22685 <param name="fit_EMG" value="false"/> | |
22686 </section> | |
22687 </section> | |
22688 <section name="DIAScoring"> | |
22689 <param name="dia_extraction_window" value="0.05"/> | |
22690 <param name="dia_extraction_unit" value="Th"/> | |
22691 <param name="dia_centroided" value="false"/> | |
22692 <param name="dia_byseries_intensity_min" value="300.0"/> | |
22693 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
22694 <param name="dia_nr_isotopes" value="4"/> | |
22695 <param name="dia_nr_charges" value="4"/> | |
22696 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
22697 </section> | |
22698 <section name="EMGScoring"> | |
22699 <param name="max_iteration" value="10"/> | |
22700 </section> | |
22701 <section name="Scores"> | |
22702 <param name="use_shape_score" value="true"/> | |
22703 <param name="use_coelution_score" value="true"/> | |
22704 <param name="use_rt_score" value="true"/> | |
22705 <param name="use_library_score" value="true"/> | |
22706 <param name="use_intensity_score" value="true"/> | |
22707 <param name="use_nr_peaks_score" value="true"/> | |
22708 <param name="use_total_xic_score" value="true"/> | |
22709 <param name="use_total_mi_score" value="true"/> | |
22710 <param name="use_sn_score" value="true"/> | |
22711 <param name="use_mi_score" value="true"/> | |
22712 <param name="use_dia_scores" value="true"/> | |
22713 <param name="use_ms1_correlation" value="false"/> | |
22714 <param name="use_sonar_scores" value="false"/> | |
22715 <param name="use_ion_mobility_scores" value="false"/> | |
22716 <param name="use_ms1_fullscan" value="false"/> | |
22717 <param name="use_ms1_mi" value="false"/> | |
22718 <param name="use_uis_scores" value="false"/> | |
22719 </section> | |
22720 </section> | |
22721 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG"/> | |
22722 <output name="ctd_out" ftype="xml"> | |
22723 <assert_contents> | |
22724 <is_valid_xml/> | |
22725 </assert_contents> | |
22726 </output> | |
22727 </test> | |
22728 <test expect_num_outputs="4"> | |
22729 <conditional name="adv_opts_cond"> | |
22730 <param name="adv_opts_selector" value="advanced"/> | |
22731 <param name="sort_swath_maps" value="false"/> | |
22732 <param name="enable_ms1" value="true"/> | |
22733 <param name="enable_ipf" value="true"/> | |
22734 <param name="out_chrom_type" value="mzML"/> | |
22735 <param name="min_upper_edge_dist" value="0.0"/> | |
22736 <param name="extra_rt_extraction_window" value="0.0"/> | |
22737 <param name="mz_extraction_window_unit" value="Th"/> | |
22738 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
22739 <param name="use_ms1_ion_mobility" value="true"/> | |
22740 <param name="matching_window_only" value="false"/> | |
22741 <param name="irt_mz_extraction_window" value="50.0"/> | |
22742 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
22743 <param name="irt_im_extraction_window" value="-1.0"/> | |
22744 <param name="min_rsq" value="0.95"/> | |
22745 <param name="min_coverage" value="0.6"/> | |
22746 <param name="split_file_input" value="false"/> | |
22747 <param name="use_elution_model_score" value="false"/> | |
22748 <param name="readOptions" value="normal"/> | |
22749 <param name="mz_correction_function" value="none"/> | |
22750 <param name="extraction_function" value="tophat"/> | |
22751 <param name="batchSize" value="1000"/> | |
22752 <param name="ms1_isotopes" value="0"/> | |
22753 <param name="force" value="false"/> | |
22754 <param name="test" value="true"/> | |
22755 </conditional> | |
22756 <param name="in" value="OpenSwathWorkflow_21_input.mzML"/> | |
22757 <param name="tr" value="OpenSwathWorkflow_21_input.tsv" ftype="tabular"/> | |
22758 <param name="tr_type" value=""/> | |
22759 <param name="tr_irt" value="OpenSwathWorkflow_21_input.irt.TraML"/> | |
22760 <output name="out_features" file="OpenSwathWorkflow_21_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
22761 <output name="out_chrom" file="OpenSwathWorkflow_21_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22762 <param name="sonar" value="false"/> | |
22763 <param name="rt_extraction_window" value="600.0"/> | |
22764 <param name="ion_mobility_window" value="-1.0"/> | |
22765 <param name="mz_extraction_window" value="0.05"/> | |
22766 <param name="mz_extraction_window_ms1" value="50.0"/> | |
22767 <param name="im_extraction_window_ms1" value="-1.0"/> | |
22768 <section name="Debugging"/> | |
22769 <output name="Debugging_irt_trafo" file="OpenSwathWorkflow_21_output.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
22770 <section name="Calibration"> | |
22771 <param name="ms1_im_calibration" value="false"/> | |
22772 <param name="im_correction_function" value="linear"/> | |
22773 <param name="debug_im_file" value=""/> | |
22774 <param name="debug_mz_file" value=""/> | |
22775 </section> | |
22776 <section name="Library"> | |
22777 <param name="retentionTimeInterpretation" value="iRT"/> | |
22778 <param name="override_group_label_check" value="false"/> | |
22779 <param name="force_invalid_mods" value="false"/> | |
22780 </section> | |
22781 <section name="RTNormalization"> | |
22782 <param name="alignmentMethod" value="linear"/> | |
22783 <param name="outlierMethod" value="iter_residual"/> | |
22784 <param name="useIterativeChauvenet" value="false"/> | |
22785 <param name="RANSACMaxIterations" value="1000"/> | |
22786 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
22787 <param name="RANSACSamplingSize" value="10"/> | |
22788 <param name="estimateBestPeptides" value="false"/> | |
22789 <param name="InitialQualityCutoff" value="0.5"/> | |
22790 <param name="OverallQualityCutoff" value="5.5"/> | |
22791 <param name="NrRTBins" value="10"/> | |
22792 <param name="MinPeptidesPerBin" value="1"/> | |
22793 <param name="MinBinsFilled" value="8"/> | |
22794 <section name="lowess"> | |
22795 <param name="span" value="0.6666666666666666"/> | |
22796 </section> | |
22797 <section name="b_spline"> | |
22798 <param name="num_nodes" value="5"/> | |
22799 </section> | |
22800 </section> | |
22801 <section name="Scoring"> | |
22802 <param name="stop_report_after_feature" value="5"/> | |
22803 <param name="rt_normalization_factor" value="100.0"/> | |
22804 <param name="quantification_cutoff" value="0.0"/> | |
22805 <param name="write_convex_hull" value="false"/> | |
22806 <param name="spectrum_addition_method" value="simple"/> | |
22807 <param name="add_up_spectra" value="1"/> | |
22808 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
22809 <param name="uis_threshold_sn" value="-1"/> | |
22810 <param name="uis_threshold_peak_area" value="0"/> | |
22811 <param name="scoring_model" value="default"/> | |
22812 <param name="im_extra_drift" value="0.0"/> | |
22813 <param name="strict" value="true"/> | |
22814 <section name="TransitionGroupPicker"> | |
22815 <param name="stop_after_feature" value="-1"/> | |
22816 <param name="min_peak_width" value="-1.0"/> | |
22817 <param name="peak_integration" value="original"/> | |
22818 <param name="background_subtraction" value="none"/> | |
22819 <param name="recalculate_peaks" value="true"/> | |
22820 <param name="use_precursors" value="false"/> | |
22821 <param name="use_consensus" value="true"/> | |
22822 <param name="recalculate_peaks_max_z" value="0.75"/> | |
22823 <param name="minimal_quality" value="-1.5"/> | |
22824 <param name="resample_boundary" value="15.0"/> | |
22825 <param name="compute_peak_quality" value="true"/> | |
22826 <param name="compute_peak_shape_metrics" value="false"/> | |
22827 <param name="compute_total_mi" value="false"/> | |
22828 <param name="boundary_selection_method" value="largest"/> | |
22829 <section name="PeakPickerMRM"> | |
22830 <param name="sgolay_frame_length" value="11"/> | |
22831 <param name="sgolay_polynomial_order" value="3"/> | |
22832 <param name="gauss_width" value="30.0"/> | |
22833 <param name="use_gauss" value="false"/> | |
22834 <param name="peak_width" value="-1.0"/> | |
22835 <param name="signal_to_noise" value="0.1"/> | |
22836 <param name="write_sn_log_messages" value="false"/> | |
22837 <param name="remove_overlapping_peaks" value="true"/> | |
22838 <param name="method" value="corrected"/> | |
22839 </section> | |
22840 <section name="PeakIntegrator"> | |
22841 <param name="integration_type" value="intensity_sum"/> | |
22842 <param name="baseline_type" value="base_to_base"/> | |
22843 <param name="fit_EMG" value="false"/> | |
22844 </section> | |
22845 </section> | |
22846 <section name="DIAScoring"> | |
22847 <param name="dia_extraction_window" value="0.05"/> | |
22848 <param name="dia_extraction_unit" value="Th"/> | |
22849 <param name="dia_centroided" value="false"/> | |
22850 <param name="dia_byseries_intensity_min" value="300.0"/> | |
22851 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
22852 <param name="dia_nr_isotopes" value="4"/> | |
22853 <param name="dia_nr_charges" value="4"/> | |
22854 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
22855 </section> | |
22856 <section name="EMGScoring"> | |
22857 <param name="max_iteration" value="10"/> | |
22858 </section> | |
22859 <section name="Scores"> | |
22860 <param name="use_shape_score" value="true"/> | |
22861 <param name="use_coelution_score" value="true"/> | |
22862 <param name="use_rt_score" value="true"/> | |
22863 <param name="use_library_score" value="true"/> | |
22864 <param name="use_intensity_score" value="true"/> | |
22865 <param name="use_nr_peaks_score" value="true"/> | |
22866 <param name="use_total_xic_score" value="true"/> | |
22867 <param name="use_total_mi_score" value="true"/> | |
22868 <param name="use_sn_score" value="true"/> | |
22869 <param name="use_mi_score" value="true"/> | |
22870 <param name="use_dia_scores" value="true"/> | |
22871 <param name="use_ms1_correlation" value="false"/> | |
22872 <param name="use_sonar_scores" value="false"/> | |
22873 <param name="use_ion_mobility_scores" value="false"/> | |
22874 <param name="use_ms1_fullscan" value="false"/> | |
22875 <param name="use_ms1_mi" value="false"/> | |
22876 <param name="use_uis_scores" value="false"/> | |
22877 </section> | |
22878 </section> | |
22879 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG,irt_trafo_FLAG"/> | |
22880 <output name="ctd_out" ftype="xml"> | |
22881 <assert_contents> | |
22882 <is_valid_xml/> | |
22883 </assert_contents> | |
22884 </output> | |
22885 </test> | |
22886 <test expect_num_outputs="3"> | |
22887 <conditional name="adv_opts_cond"> | |
22888 <param name="adv_opts_selector" value="advanced"/> | |
22889 <param name="sort_swath_maps" value="false"/> | |
22890 <param name="enable_ms1" value="true"/> | |
22891 <param name="enable_ipf" value="true"/> | |
22892 <param name="out_chrom_type" value="mzML"/> | |
22893 <param name="min_upper_edge_dist" value="0.0"/> | |
22894 <param name="extra_rt_extraction_window" value="0.0"/> | |
22895 <param name="mz_extraction_window_unit" value="ppm"/> | |
22896 <param name="mz_extraction_window_ms1_unit" value="ppm"/> | |
22897 <param name="use_ms1_ion_mobility" value="true"/> | |
22898 <param name="matching_window_only" value="true"/> | |
22899 <param name="irt_mz_extraction_window" value="50.0"/> | |
22900 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
22901 <param name="irt_im_extraction_window" value="-1.0"/> | |
22902 <param name="min_rsq" value="0.95"/> | |
22903 <param name="min_coverage" value="0.6"/> | |
22904 <param name="split_file_input" value="false"/> | |
22905 <param name="use_elution_model_score" value="false"/> | |
22906 <param name="readOptions" value="workingInMemory"/> | |
22907 <param name="mz_correction_function" value="none"/> | |
22908 <param name="extraction_function" value="tophat"/> | |
22909 <param name="batchSize" value="1000"/> | |
22910 <param name="ms1_isotopes" value="3"/> | |
22911 <param name="force" value="false"/> | |
22912 <param name="test" value="false"/> | |
22913 </conditional> | |
22914 <param name="in" value="OpenSwathWorkflow_22_input.mzML"/> | |
22915 <param name="tr" value="OpenSwathWorkflow_22_input.tsv" ftype="tabular"/> | |
22916 <param name="tr_type" value=""/> | |
22917 <output name="out_features" file="OpenSwathWorkflow_22_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
22918 <output name="out_chrom" file="OpenSwathWorkflow_22_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22919 <param name="sonar" value="false"/> | |
22920 <param name="rt_extraction_window" value="600.0"/> | |
22921 <param name="ion_mobility_window" value="-1.0"/> | |
22922 <param name="mz_extraction_window" value="50.0"/> | |
22923 <param name="mz_extraction_window_ms1" value="50.0"/> | |
22924 <param name="im_extraction_window_ms1" value="-1.0"/> | |
22925 <section name="Debugging"/> | |
22926 <section name="Calibration"> | |
22927 <param name="ms1_im_calibration" value="false"/> | |
22928 <param name="im_correction_function" value="linear"/> | |
22929 <param name="debug_im_file" value=""/> | |
22930 <param name="debug_mz_file" value=""/> | |
22931 </section> | |
22932 <section name="Library"> | |
22933 <param name="retentionTimeInterpretation" value="iRT"/> | |
22934 <param name="override_group_label_check" value="false"/> | |
22935 <param name="force_invalid_mods" value="false"/> | |
22936 </section> | |
22937 <section name="RTNormalization"> | |
22938 <param name="alignmentMethod" value="linear"/> | |
22939 <param name="outlierMethod" value="iter_residual"/> | |
22940 <param name="useIterativeChauvenet" value="false"/> | |
22941 <param name="RANSACMaxIterations" value="1000"/> | |
22942 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
22943 <param name="RANSACSamplingSize" value="10"/> | |
22944 <param name="estimateBestPeptides" value="false"/> | |
22945 <param name="InitialQualityCutoff" value="0.5"/> | |
22946 <param name="OverallQualityCutoff" value="5.5"/> | |
22947 <param name="NrRTBins" value="10"/> | |
22948 <param name="MinPeptidesPerBin" value="1"/> | |
22949 <param name="MinBinsFilled" value="8"/> | |
22950 <section name="lowess"> | |
22951 <param name="span" value="0.05"/> | |
22952 </section> | |
22953 <section name="b_spline"> | |
22954 <param name="num_nodes" value="5"/> | |
22955 </section> | |
22956 </section> | |
22957 <section name="Scoring"> | |
22958 <param name="stop_report_after_feature" value="5"/> | |
22959 <param name="rt_normalization_factor" value="100.0"/> | |
22960 <param name="quantification_cutoff" value="0.0"/> | |
22961 <param name="write_convex_hull" value="false"/> | |
22962 <param name="spectrum_addition_method" value="simple"/> | |
22963 <param name="add_up_spectra" value="1"/> | |
22964 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
22965 <param name="uis_threshold_sn" value="-1"/> | |
22966 <param name="uis_threshold_peak_area" value="0"/> | |
22967 <param name="scoring_model" value="default"/> | |
22968 <param name="im_extra_drift" value="0.0"/> | |
22969 <param name="strict" value="true"/> | |
22970 <section name="TransitionGroupPicker"> | |
22971 <param name="stop_after_feature" value="-1"/> | |
22972 <param name="min_peak_width" value="-1.0"/> | |
22973 <param name="peak_integration" value="original"/> | |
22974 <param name="background_subtraction" value="none"/> | |
22975 <param name="recalculate_peaks" value="true"/> | |
22976 <param name="use_precursors" value="false"/> | |
22977 <param name="use_consensus" value="true"/> | |
22978 <param name="recalculate_peaks_max_z" value="0.75"/> | |
22979 <param name="minimal_quality" value="-1.5"/> | |
22980 <param name="resample_boundary" value="15.0"/> | |
22981 <param name="compute_peak_quality" value="false"/> | |
22982 <param name="compute_peak_shape_metrics" value="false"/> | |
22983 <param name="compute_total_mi" value="false"/> | |
22984 <param name="boundary_selection_method" value="largest"/> | |
22985 <section name="PeakPickerMRM"> | |
22986 <param name="sgolay_frame_length" value="11"/> | |
22987 <param name="sgolay_polynomial_order" value="3"/> | |
22988 <param name="gauss_width" value="30.0"/> | |
22989 <param name="use_gauss" value="false"/> | |
22990 <param name="peak_width" value="-1.0"/> | |
22991 <param name="signal_to_noise" value="0.1"/> | |
22992 <param name="write_sn_log_messages" value="false"/> | |
22993 <param name="remove_overlapping_peaks" value="true"/> | |
22994 <param name="method" value="corrected"/> | |
22995 </section> | |
22996 <section name="PeakIntegrator"> | |
22997 <param name="integration_type" value="intensity_sum"/> | |
22998 <param name="baseline_type" value="base_to_base"/> | |
22999 <param name="fit_EMG" value="false"/> | |
23000 </section> | |
23001 </section> | |
23002 <section name="DIAScoring"> | |
23003 <param name="dia_extraction_window" value="0.05"/> | |
23004 <param name="dia_extraction_unit" value="Th"/> | |
23005 <param name="dia_centroided" value="false"/> | |
23006 <param name="dia_byseries_intensity_min" value="300.0"/> | |
23007 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
23008 <param name="dia_nr_isotopes" value="4"/> | |
23009 <param name="dia_nr_charges" value="4"/> | |
23010 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
23011 </section> | |
23012 <section name="EMGScoring"> | |
23013 <param name="max_iteration" value="10"/> | |
23014 </section> | |
23015 <section name="Scores"> | |
23016 <param name="use_shape_score" value="true"/> | |
23017 <param name="use_coelution_score" value="true"/> | |
23018 <param name="use_rt_score" value="true"/> | |
23019 <param name="use_library_score" value="true"/> | |
23020 <param name="use_intensity_score" value="true"/> | |
23021 <param name="use_nr_peaks_score" value="true"/> | |
23022 <param name="use_total_xic_score" value="true"/> | |
23023 <param name="use_total_mi_score" value="false"/> | |
23024 <param name="use_sn_score" value="true"/> | |
23025 <param name="use_mi_score" value="true"/> | |
23026 <param name="use_dia_scores" value="true"/> | |
23027 <param name="use_ms1_correlation" value="false"/> | |
23028 <param name="use_sonar_scores" value="false"/> | |
23029 <param name="use_ion_mobility_scores" value="false"/> | |
23030 <param name="use_ms1_fullscan" value="false"/> | |
23031 <param name="use_ms1_mi" value="true"/> | |
23032 <param name="use_uis_scores" value="false"/> | |
23033 </section> | |
23034 </section> | |
23035 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
23036 <output name="ctd_out" ftype="xml"> | |
23037 <assert_contents> | |
23038 <is_valid_xml/> | |
23039 </assert_contents> | |
23040 </output> | |
23041 </test> | |
23042 </xml> | |
23043 <xml name="autotest_PeakPickerHiRes"> | |
23044 <test expect_num_outputs="2"> | |
23045 <conditional name="adv_opts_cond"> | |
23046 <param name="adv_opts_selector" value="advanced"/> | |
23047 <param name="processOption" value="inmemory"/> | |
23048 <param name="force" value="false"/> | |
23049 <param name="test" value="true"/> | |
23050 </conditional> | |
23051 <param name="in" value="PeakPickerHiRes_input.mzML"/> | |
23052 <output name="out" file="PeakPickerHiRes_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23053 <section name="algorithm"> | |
23054 <param name="signal_to_noise" value="1.0"/> | |
23055 <param name="spacing_difference_gap" value="4.0"/> | |
23056 <param name="spacing_difference" value="1.5"/> | |
23057 <param name="missing" value="1"/> | |
23058 <param name="ms_levels" value="1"/> | |
23059 <param name="report_FWHM" value="true"/> | |
23060 <param name="report_FWHM_unit" value="relative"/> | |
23061 <section name="SignalToNoise"> | |
23062 <param name="max_intensity" value="-1"/> | |
23063 <param name="auto_max_stdev_factor" value="3.0"/> | |
23064 <param name="auto_max_percentile" value="95"/> | |
23065 <param name="auto_mode" value="0"/> | |
23066 <param name="win_len" value="200.0"/> | |
23067 <param name="bin_count" value="30"/> | |
23068 <param name="min_required_elements" value="10"/> | |
23069 <param name="noise_for_empty_window" value="1e+20"/> | |
23070 <param name="write_log_messages" value="true"/> | |
23071 </section> | |
23072 </section> | |
23073 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23074 <output name="ctd_out" ftype="xml"> | |
23075 <assert_contents> | |
23076 <is_valid_xml/> | |
23077 </assert_contents> | |
23078 </output> | |
23079 </test> | |
23080 <test expect_num_outputs="2"> | |
23081 <conditional name="adv_opts_cond"> | |
23082 <param name="adv_opts_selector" value="advanced"/> | |
23083 <param name="processOption" value="inmemory"/> | |
23084 <param name="force" value="false"/> | |
23085 <param name="test" value="true"/> | |
23086 </conditional> | |
23087 <param name="in" value="PeakPickerHiRes_2_input.mzML"/> | |
23088 <output name="out" file="PeakPickerHiRes_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23089 <section name="algorithm"> | |
23090 <param name="signal_to_noise" value="1.0"/> | |
23091 <param name="spacing_difference_gap" value="4.0"/> | |
23092 <param name="spacing_difference" value="1.5"/> | |
23093 <param name="missing" value="1"/> | |
23094 <param name="ms_levels" value="1"/> | |
23095 <param name="report_FWHM" value="true"/> | |
23096 <param name="report_FWHM_unit" value="relative"/> | |
23097 <section name="SignalToNoise"> | |
23098 <param name="max_intensity" value="-1"/> | |
23099 <param name="auto_max_stdev_factor" value="3.0"/> | |
23100 <param name="auto_max_percentile" value="95"/> | |
23101 <param name="auto_mode" value="0"/> | |
23102 <param name="win_len" value="200.0"/> | |
23103 <param name="bin_count" value="30"/> | |
23104 <param name="min_required_elements" value="10"/> | |
23105 <param name="noise_for_empty_window" value="1e+20"/> | |
23106 <param name="write_log_messages" value="true"/> | |
23107 </section> | |
23108 </section> | |
23109 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23110 <output name="ctd_out" ftype="xml"> | |
23111 <assert_contents> | |
23112 <is_valid_xml/> | |
23113 </assert_contents> | |
23114 </output> | |
23115 </test> | |
23116 <test expect_num_outputs="2"> | |
23117 <conditional name="adv_opts_cond"> | |
23118 <param name="adv_opts_selector" value="advanced"/> | |
23119 <param name="processOption" value="lowmemory"/> | |
23120 <param name="force" value="false"/> | |
23121 <param name="test" value="true"/> | |
23122 </conditional> | |
23123 <param name="in" value="PeakPickerHiRes_input.mzML"/> | |
23124 <output name="out" file="PeakPickerHiRes_output_lowMem.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23125 <section name="algorithm"> | |
23126 <param name="signal_to_noise" value="1.0"/> | |
23127 <param name="spacing_difference_gap" value="4.0"/> | |
23128 <param name="spacing_difference" value="1.5"/> | |
23129 <param name="missing" value="1"/> | |
23130 <param name="ms_levels" value="1"/> | |
23131 <param name="report_FWHM" value="true"/> | |
23132 <param name="report_FWHM_unit" value="relative"/> | |
23133 <section name="SignalToNoise"> | |
23134 <param name="max_intensity" value="-1"/> | |
23135 <param name="auto_max_stdev_factor" value="3.0"/> | |
23136 <param name="auto_max_percentile" value="95"/> | |
23137 <param name="auto_mode" value="0"/> | |
23138 <param name="win_len" value="200.0"/> | |
23139 <param name="bin_count" value="30"/> | |
23140 <param name="min_required_elements" value="10"/> | |
23141 <param name="noise_for_empty_window" value="1e+20"/> | |
23142 <param name="write_log_messages" value="true"/> | |
23143 </section> | |
23144 </section> | |
23145 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23146 <output name="ctd_out" ftype="xml"> | |
23147 <assert_contents> | |
23148 <is_valid_xml/> | |
23149 </assert_contents> | |
23150 </output> | |
23151 </test> | |
23152 <test expect_num_outputs="2"> | |
23153 <conditional name="adv_opts_cond"> | |
23154 <param name="adv_opts_selector" value="advanced"/> | |
23155 <param name="processOption" value="lowmemory"/> | |
23156 <param name="force" value="false"/> | |
23157 <param name="test" value="true"/> | |
23158 </conditional> | |
23159 <param name="in" value="PeakPickerHiRes_2_input.mzML"/> | |
23160 <output name="out" file="PeakPickerHiRes_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23161 <section name="algorithm"> | |
23162 <param name="signal_to_noise" value="1.0"/> | |
23163 <param name="spacing_difference_gap" value="4.0"/> | |
23164 <param name="spacing_difference" value="1.5"/> | |
23165 <param name="missing" value="1"/> | |
23166 <param name="ms_levels" value="1"/> | |
23167 <param name="report_FWHM" value="true"/> | |
23168 <param name="report_FWHM_unit" value="relative"/> | |
23169 <section name="SignalToNoise"> | |
23170 <param name="max_intensity" value="-1"/> | |
23171 <param name="auto_max_stdev_factor" value="3.0"/> | |
23172 <param name="auto_max_percentile" value="95"/> | |
23173 <param name="auto_mode" value="0"/> | |
23174 <param name="win_len" value="200.0"/> | |
23175 <param name="bin_count" value="30"/> | |
23176 <param name="min_required_elements" value="10"/> | |
23177 <param name="noise_for_empty_window" value="1e+20"/> | |
23178 <param name="write_log_messages" value="true"/> | |
23179 </section> | |
23180 </section> | |
23181 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23182 <output name="ctd_out" ftype="xml"> | |
23183 <assert_contents> | |
23184 <is_valid_xml/> | |
23185 </assert_contents> | |
23186 </output> | |
23187 </test> | |
23188 <test expect_num_outputs="2"> | |
23189 <conditional name="adv_opts_cond"> | |
23190 <param name="adv_opts_selector" value="advanced"/> | |
23191 <param name="processOption" value="inmemory"/> | |
23192 <param name="force" value="false"/> | |
23193 <param name="test" value="true"/> | |
23194 </conditional> | |
23195 <param name="in" value="PeakPickerHiRes_5_input.mzML"/> | |
23196 <output name="out" file="PeakPickerHiRes_5_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23197 <section name="algorithm"> | |
23198 <param name="signal_to_noise" value="0.0"/> | |
23199 <param name="spacing_difference_gap" value="4.0"/> | |
23200 <param name="spacing_difference" value="1.5"/> | |
23201 <param name="missing" value="1"/> | |
23202 <param name="ms_levels" value=""/> | |
23203 <param name="report_FWHM" value="false"/> | |
23204 <param name="report_FWHM_unit" value="relative"/> | |
23205 <section name="SignalToNoise"> | |
23206 <param name="max_intensity" value="-1"/> | |
23207 <param name="auto_max_stdev_factor" value="3.0"/> | |
23208 <param name="auto_max_percentile" value="95"/> | |
23209 <param name="auto_mode" value="0"/> | |
23210 <param name="win_len" value="200.0"/> | |
23211 <param name="bin_count" value="30"/> | |
23212 <param name="min_required_elements" value="10"/> | |
23213 <param name="noise_for_empty_window" value="1e+20"/> | |
23214 <param name="write_log_messages" value="true"/> | |
23215 </section> | |
23216 </section> | |
23217 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23218 <output name="ctd_out" ftype="xml"> | |
23219 <assert_contents> | |
23220 <is_valid_xml/> | |
23221 </assert_contents> | |
23222 </output> | |
23223 </test> | |
23224 </xml> | |
23225 <xml name="autotest_PeakPickerIterative"> | |
23226 <test expect_num_outputs="2"> | |
23227 <conditional name="adv_opts_cond"> | |
23228 <param name="adv_opts_selector" value="advanced"/> | |
23229 <param name="force" value="false"/> | |
23230 <param name="test" value="true"/> | |
23231 </conditional> | |
23232 <param name="in" value="PeakPickerIterative_1_input.mzML"/> | |
23233 <output name="out" file="PeakPickerIterative_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23234 <section name="algorithm"> | |
23235 <param name="signal_to_noise_" value="1.0"/> | |
23236 <param name="peak_width" value="0.04"/> | |
23237 <param name="spacing_difference" value="1.5"/> | |
23238 <param name="sn_bin_count_" value="30"/> | |
23239 <param name="nr_iterations_" value="5"/> | |
23240 <param name="sn_win_len_" value="20.0"/> | |
23241 <param name="check_width_internally" value="false"/> | |
23242 <param name="ms1_only" value="false"/> | |
23243 <param name="clear_meta_data" value="false"/> | |
23244 </section> | |
23245 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23246 <output name="ctd_out" ftype="xml"> | |
23247 <assert_contents> | |
23248 <is_valid_xml/> | |
23249 </assert_contents> | |
23250 </output> | |
23251 </test> | |
23252 <test expect_num_outputs="2"> | |
23253 <conditional name="adv_opts_cond"> | |
23254 <param name="adv_opts_selector" value="advanced"/> | |
23255 <param name="force" value="false"/> | |
23256 <param name="test" value="true"/> | |
23257 </conditional> | |
23258 <param name="in" value="PeakPickerIterative_2_input.mzML"/> | |
23259 <output name="out" file="PeakPickerIterative_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23260 <section name="algorithm"> | |
23261 <param name="signal_to_noise_" value="0.0"/> | |
23262 <param name="peak_width" value="0.04"/> | |
23263 <param name="spacing_difference" value="2.5"/> | |
23264 <param name="sn_bin_count_" value="30"/> | |
23265 <param name="nr_iterations_" value="5"/> | |
23266 <param name="sn_win_len_" value="20.0"/> | |
23267 <param name="check_width_internally" value="true"/> | |
23268 <param name="ms1_only" value="false"/> | |
23269 <param name="clear_meta_data" value="false"/> | |
23270 </section> | |
23271 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23272 <output name="ctd_out" ftype="xml"> | |
23273 <assert_contents> | |
23274 <is_valid_xml/> | |
23275 </assert_contents> | |
23276 </output> | |
23277 </test> | |
23278 </xml> | |
23279 <xml name="autotest_PeakPickerWavelet"> | |
23280 <test expect_num_outputs="2"> | |
23281 <conditional name="adv_opts_cond"> | |
23282 <param name="adv_opts_selector" value="advanced"/> | |
23283 <param name="write_peak_meta_data" value="true"/> | |
23284 <param name="force" value="false"/> | |
23285 <param name="test" value="true"/> | |
23286 </conditional> | |
23287 <param name="in" value="PeakPickerWavelet_input.mzML"/> | |
23288 <output name="out" file="PeakPickerWavelet_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23289 <section name="algorithm"> | |
23290 <param name="signal_to_noise" value="3.0"/> | |
23291 <param name="centroid_percentage" value="0.6"/> | |
23292 <param name="peak_width" value="0.2"/> | |
23293 <param name="estimate_peak_width" value="false"/> | |
23294 <param name="fwhm_lower_bound_factor" value="0.5"/> | |
23295 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
23296 <section name="optimization"> | |
23297 <param name="iterations" value="400"/> | |
23298 <section name="penalties"> | |
23299 <param name="position" value="0.0"/> | |
23300 <param name="left_width" value="1.0"/> | |
23301 <param name="right_width" value="1.0"/> | |
23302 <param name="height" value="1.0"/> | |
23303 </section> | |
23304 <section name="2d"> | |
23305 <param name="tolerance_mz" value="2.2"/> | |
23306 <param name="max_peak_distance" value="1.2"/> | |
23307 </section> | |
23308 </section> | |
23309 <section name="thresholds"> | |
23310 <param name="peak_bound" value="100.0"/> | |
23311 <param name="peak_bound_ms2_level" value="10.0"/> | |
23312 <param name="correlation" value="0.5"/> | |
23313 <param name="noise_level" value="0.1"/> | |
23314 <param name="search_radius" value="3"/> | |
23315 </section> | |
23316 <section name="wavelet_transform"> | |
23317 <param name="spacing" value="0.001"/> | |
23318 </section> | |
23319 <section name="deconvolution"> | |
23320 <param name="deconvolution" value="false"/> | |
23321 <param name="asym_threshold" value="0.3"/> | |
23322 <param name="left_width" value="2.0"/> | |
23323 <param name="right_width" value="2.0"/> | |
23324 <param name="scaling" value="0.12"/> | |
23325 <section name="fitting"> | |
23326 <param name="fwhm_threshold" value="0.7"/> | |
23327 <param name="eps_abs" value="9.999999747378752e-06"/> | |
23328 <param name="eps_rel" value="9.999999747378752e-06"/> | |
23329 <param name="max_iteration" value="10"/> | |
23330 <section name="penalties"> | |
23331 <param name="position" value="0.0"/> | |
23332 <param name="height" value="1.0"/> | |
23333 <param name="left_width" value="0.0"/> | |
23334 <param name="right_width" value="0.0"/> | |
23335 </section> | |
23336 </section> | |
23337 </section> | |
23338 <section name="SignalToNoiseEstimationParameter"> | |
23339 <param name="max_intensity" value="-1"/> | |
23340 <param name="auto_max_stdev_factor" value="3.0"/> | |
23341 <param name="auto_max_percentile" value="95"/> | |
23342 <param name="auto_mode" value="0"/> | |
23343 <param name="win_len" value="200.0"/> | |
23344 <param name="bin_count" value="30"/> | |
23345 <param name="stdev_mp" value="3.0"/> | |
23346 <param name="min_required_elements" value="10"/> | |
23347 <param name="noise_for_empty_window" value="1e+20"/> | |
23348 </section> | |
23349 </section> | |
23350 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23351 <output name="ctd_out" ftype="xml"> | |
23352 <assert_contents> | |
23353 <is_valid_xml/> | |
23354 </assert_contents> | |
23355 </output> | |
23356 </test> | |
23357 <test expect_num_outputs="2"> | |
23358 <conditional name="adv_opts_cond"> | |
23359 <param name="adv_opts_selector" value="advanced"/> | |
23360 <param name="write_peak_meta_data" value="true"/> | |
23361 <param name="force" value="false"/> | |
23362 <param name="test" value="true"/> | |
23363 </conditional> | |
23364 <param name="in" value="PeakPickerWavelet_deconv_input.mzML"/> | |
23365 <output name="out" file="PeakPickerWavelet_deconv_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23366 <section name="algorithm"> | |
23367 <param name="signal_to_noise" value="2.0"/> | |
23368 <param name="centroid_percentage" value="0.8"/> | |
23369 <param name="peak_width" value="0.15"/> | |
23370 <param name="estimate_peak_width" value="false"/> | |
23371 <param name="fwhm_lower_bound_factor" value="1.0"/> | |
23372 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
23373 <section name="optimization"> | |
23374 <param name="iterations" value="400"/> | |
23375 <section name="penalties"> | |
23376 <param name="position" value="0.0"/> | |
23377 <param name="left_width" value="1.0"/> | |
23378 <param name="right_width" value="1.0"/> | |
23379 <param name="height" value="1.0"/> | |
23380 </section> | |
23381 <section name="2d"> | |
23382 <param name="tolerance_mz" value="2.2"/> | |
23383 <param name="max_peak_distance" value="1.2"/> | |
23384 </section> | |
23385 </section> | |
23386 <section name="thresholds"> | |
23387 <param name="peak_bound" value="200.0"/> | |
23388 <param name="peak_bound_ms2_level" value="50.0"/> | |
23389 <param name="correlation" value="0.5"/> | |
23390 <param name="noise_level" value="0.1"/> | |
23391 <param name="search_radius" value="3"/> | |
23392 </section> | |
23393 <section name="wavelet_transform"> | |
23394 <param name="spacing" value="0.001"/> | |
23395 </section> | |
23396 <section name="deconvolution"> | |
23397 <param name="deconvolution" value="true"/> | |
23398 <param name="asym_threshold" value="0.3"/> | |
23399 <param name="left_width" value="2.0"/> | |
23400 <param name="right_width" value="2.0"/> | |
23401 <param name="scaling" value="0.1"/> | |
23402 <section name="fitting"> | |
23403 <param name="fwhm_threshold" value="0.7"/> | |
23404 <param name="eps_abs" value="9.999999747378752e-06"/> | |
23405 <param name="eps_rel" value="9.999999747378752e-06"/> | |
23406 <param name="max_iteration" value="100"/> | |
23407 <section name="penalties"> | |
23408 <param name="position" value="1.0"/> | |
23409 <param name="height" value="1.0"/> | |
23410 <param name="left_width" value="0.0"/> | |
23411 <param name="right_width" value="0.0"/> | |
23412 </section> | |
23413 </section> | |
23414 </section> | |
23415 <section name="SignalToNoiseEstimationParameter"> | |
23416 <param name="max_intensity" value="-1"/> | |
23417 <param name="auto_max_stdev_factor" value="3.0"/> | |
23418 <param name="auto_max_percentile" value="95"/> | |
23419 <param name="auto_mode" value="0"/> | |
23420 <param name="win_len" value="200.0"/> | |
23421 <param name="bin_count" value="30"/> | |
23422 <param name="stdev_mp" value="3.0"/> | |
23423 <param name="min_required_elements" value="10"/> | |
23424 <param name="noise_for_empty_window" value="1e+20"/> | |
23425 </section> | |
23426 </section> | |
23427 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23428 <output name="ctd_out" ftype="xml"> | |
23429 <assert_contents> | |
23430 <is_valid_xml/> | |
23431 </assert_contents> | |
23432 </output> | |
23433 </test> | |
23434 <test expect_num_outputs="2"> | |
23435 <conditional name="adv_opts_cond"> | |
23436 <param name="adv_opts_selector" value="advanced"/> | |
23437 <param name="write_peak_meta_data" value="true"/> | |
23438 <param name="force" value="false"/> | |
23439 <param name="test" value="true"/> | |
23440 </conditional> | |
23441 <param name="in" value="PeakPickerWavelet_input.mzML"/> | |
23442 <output name="out" file="PeakPickerWavelet_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23443 <section name="algorithm"> | |
23444 <param name="signal_to_noise" value="3.0"/> | |
23445 <param name="centroid_percentage" value="0.6"/> | |
23446 <param name="peak_width" value="0.2"/> | |
23447 <param name="estimate_peak_width" value="false"/> | |
23448 <param name="fwhm_lower_bound_factor" value="0.5"/> | |
23449 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
23450 <section name="optimization"> | |
23451 <param name="iterations" value="400"/> | |
23452 <section name="penalties"> | |
23453 <param name="position" value="0.0"/> | |
23454 <param name="left_width" value="1.0"/> | |
23455 <param name="right_width" value="1.0"/> | |
23456 <param name="height" value="1.0"/> | |
23457 </section> | |
23458 <section name="2d"> | |
23459 <param name="tolerance_mz" value="2.2"/> | |
23460 <param name="max_peak_distance" value="1.2"/> | |
23461 </section> | |
23462 </section> | |
23463 <section name="thresholds"> | |
23464 <param name="peak_bound" value="100.0"/> | |
23465 <param name="peak_bound_ms2_level" value="10.0"/> | |
23466 <param name="correlation" value="0.5"/> | |
23467 <param name="noise_level" value="0.1"/> | |
23468 <param name="search_radius" value="3"/> | |
23469 </section> | |
23470 <section name="wavelet_transform"> | |
23471 <param name="spacing" value="0.001"/> | |
23472 </section> | |
23473 <section name="deconvolution"> | |
23474 <param name="deconvolution" value="false"/> | |
23475 <param name="asym_threshold" value="0.3"/> | |
23476 <param name="left_width" value="2.0"/> | |
23477 <param name="right_width" value="2.0"/> | |
23478 <param name="scaling" value="0.12"/> | |
23479 <section name="fitting"> | |
23480 <param name="fwhm_threshold" value="0.7"/> | |
23481 <param name="eps_abs" value="9.999999747378752e-06"/> | |
23482 <param name="eps_rel" value="9.999999747378752e-06"/> | |
23483 <param name="max_iteration" value="10"/> | |
23484 <section name="penalties"> | |
23485 <param name="position" value="0.0"/> | |
23486 <param name="height" value="1.0"/> | |
23487 <param name="left_width" value="0.0"/> | |
23488 <param name="right_width" value="0.0"/> | |
23489 </section> | |
23490 </section> | |
23491 </section> | |
23492 <section name="SignalToNoiseEstimationParameter"> | |
23493 <param name="max_intensity" value="-1"/> | |
23494 <param name="auto_max_stdev_factor" value="3.0"/> | |
23495 <param name="auto_max_percentile" value="95"/> | |
23496 <param name="auto_mode" value="0"/> | |
23497 <param name="win_len" value="200.0"/> | |
23498 <param name="bin_count" value="30"/> | |
23499 <param name="stdev_mp" value="3.0"/> | |
23500 <param name="min_required_elements" value="10"/> | |
23501 <param name="noise_for_empty_window" value="1e+20"/> | |
23502 </section> | |
23503 </section> | |
23504 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23505 <output name="ctd_out" ftype="xml"> | |
23506 <assert_contents> | |
23507 <is_valid_xml/> | |
23508 </assert_contents> | |
23509 </output> | |
23510 </test> | |
23511 <test expect_num_outputs="2"> | |
23512 <conditional name="adv_opts_cond"> | |
23513 <param name="adv_opts_selector" value="advanced"/> | |
23514 <param name="write_peak_meta_data" value="false"/> | |
23515 <param name="force" value="false"/> | |
23516 <param name="test" value="true"/> | |
23517 </conditional> | |
23518 <param name="in" value="PeakPickerWavelet_input.mzML"/> | |
23519 <output name="out" file="PeakPickerWavelet_output_noMetaData.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23520 <section name="algorithm"> | |
23521 <param name="signal_to_noise" value="3.0"/> | |
23522 <param name="centroid_percentage" value="0.6"/> | |
23523 <param name="peak_width" value="0.2"/> | |
23524 <param name="estimate_peak_width" value="false"/> | |
23525 <param name="fwhm_lower_bound_factor" value="0.5"/> | |
23526 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
23527 <section name="optimization"> | |
23528 <param name="iterations" value="400"/> | |
23529 <section name="penalties"> | |
23530 <param name="position" value="0.0"/> | |
23531 <param name="left_width" value="1.0"/> | |
23532 <param name="right_width" value="1.0"/> | |
23533 <param name="height" value="1.0"/> | |
23534 </section> | |
23535 <section name="2d"> | |
23536 <param name="tolerance_mz" value="2.2"/> | |
23537 <param name="max_peak_distance" value="1.2"/> | |
23538 </section> | |
23539 </section> | |
23540 <section name="thresholds"> | |
23541 <param name="peak_bound" value="100.0"/> | |
23542 <param name="peak_bound_ms2_level" value="10.0"/> | |
23543 <param name="correlation" value="0.5"/> | |
23544 <param name="noise_level" value="0.1"/> | |
23545 <param name="search_radius" value="3"/> | |
23546 </section> | |
23547 <section name="wavelet_transform"> | |
23548 <param name="spacing" value="0.001"/> | |
23549 </section> | |
23550 <section name="deconvolution"> | |
23551 <param name="deconvolution" value="false"/> | |
23552 <param name="asym_threshold" value="0.3"/> | |
23553 <param name="left_width" value="2.0"/> | |
23554 <param name="right_width" value="2.0"/> | |
23555 <param name="scaling" value="0.12"/> | |
23556 <section name="fitting"> | |
23557 <param name="fwhm_threshold" value="0.7"/> | |
23558 <param name="eps_abs" value="9.999999747378752e-06"/> | |
23559 <param name="eps_rel" value="9.999999747378752e-06"/> | |
23560 <param name="max_iteration" value="10"/> | |
23561 <section name="penalties"> | |
23562 <param name="position" value="0.0"/> | |
23563 <param name="height" value="1.0"/> | |
23564 <param name="left_width" value="0.0"/> | |
23565 <param name="right_width" value="0.0"/> | |
23566 </section> | |
23567 </section> | |
23568 </section> | |
23569 <section name="SignalToNoiseEstimationParameter"> | |
23570 <param name="max_intensity" value="-1"/> | |
23571 <param name="auto_max_stdev_factor" value="3.0"/> | |
23572 <param name="auto_max_percentile" value="95"/> | |
23573 <param name="auto_mode" value="0"/> | |
23574 <param name="win_len" value="200.0"/> | |
23575 <param name="bin_count" value="30"/> | |
23576 <param name="stdev_mp" value="3.0"/> | |
23577 <param name="min_required_elements" value="10"/> | |
23578 <param name="noise_for_empty_window" value="1e+20"/> | |
23579 </section> | |
23580 </section> | |
23581 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23582 <output name="ctd_out" ftype="xml"> | |
23583 <assert_contents> | |
23584 <is_valid_xml/> | |
23585 </assert_contents> | |
23586 </output> | |
23587 </test> | |
23588 </xml> | |
23589 <xml name="autotest_PepNovoAdapter"> | |
23590 </xml> | |
23591 <xml name="autotest_PeptideIndexer"> | |
23592 <test expect_num_outputs="2"> | |
23593 <conditional name="adv_opts_cond"> | |
23594 <param name="adv_opts_selector" value="advanced"/> | |
23595 <param name="force" value="false"/> | |
23596 <param name="test" value="true"/> | |
23597 </conditional> | |
23598 <param name="in" value="PeptideIndexer_1.idXML"/> | |
23599 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23600 <output name="out" file="PeptideIndexer_1_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23601 <param name="decoy_string" value=""/> | |
23602 <param name="decoy_string_position" value="prefix"/> | |
23603 <param name="missing_decoy_action" value="error"/> | |
23604 <param name="write_protein_sequence" value="false"/> | |
23605 <param name="write_protein_description" value="false"/> | |
23606 <param name="keep_unreferenced_proteins" value="false"/> | |
23607 <param name="unmatched_action" value="warn"/> | |
23608 <param name="aaa_max" value="4"/> | |
23609 <param name="mismatches_max" value="0"/> | |
23610 <param name="IL_equivalent" value="false"/> | |
23611 <section name="enzyme"> | |
23612 <param name="name" value="auto"/> | |
23613 <param name="specificity" value="none"/> | |
23614 </section> | |
23615 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23616 <output name="ctd_out" ftype="xml"> | |
23617 <assert_contents> | |
23618 <is_valid_xml/> | |
23619 </assert_contents> | |
23620 </output> | |
23621 </test> | |
23622 <test expect_num_outputs="2"> | |
23623 <conditional name="adv_opts_cond"> | |
23624 <param name="adv_opts_selector" value="advanced"/> | |
23625 <param name="force" value="false"/> | |
23626 <param name="test" value="true"/> | |
23627 </conditional> | |
23628 <param name="in" value="PeptideIndexer_1.idXML"/> | |
23629 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23630 <output name="out" file="PeptideIndexer_2_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23631 <param name="decoy_string" value=""/> | |
23632 <param name="decoy_string_position" value="prefix"/> | |
23633 <param name="missing_decoy_action" value="error"/> | |
23634 <param name="write_protein_sequence" value="true"/> | |
23635 <param name="write_protein_description" value="false"/> | |
23636 <param name="keep_unreferenced_proteins" value="false"/> | |
23637 <param name="unmatched_action" value="warn"/> | |
23638 <param name="aaa_max" value="4"/> | |
23639 <param name="mismatches_max" value="0"/> | |
23640 <param name="IL_equivalent" value="false"/> | |
23641 <section name="enzyme"> | |
23642 <param name="name" value="auto"/> | |
23643 <param name="specificity" value="none"/> | |
23644 </section> | |
23645 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23646 <output name="ctd_out" ftype="xml"> | |
23647 <assert_contents> | |
23648 <is_valid_xml/> | |
23649 </assert_contents> | |
23650 </output> | |
23651 </test> | |
23652 <test expect_num_outputs="2"> | |
23653 <conditional name="adv_opts_cond"> | |
23654 <param name="adv_opts_selector" value="advanced"/> | |
23655 <param name="force" value="false"/> | |
23656 <param name="test" value="true"/> | |
23657 </conditional> | |
23658 <param name="in" value="PeptideIndexer_1.idXML"/> | |
23659 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23660 <output name="out" file="PeptideIndexer_3_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23661 <param name="decoy_string" value=""/> | |
23662 <param name="decoy_string_position" value="prefix"/> | |
23663 <param name="missing_decoy_action" value="error"/> | |
23664 <param name="write_protein_sequence" value="false"/> | |
23665 <param name="write_protein_description" value="false"/> | |
23666 <param name="keep_unreferenced_proteins" value="true"/> | |
23667 <param name="unmatched_action" value="warn"/> | |
23668 <param name="aaa_max" value="4"/> | |
23669 <param name="mismatches_max" value="0"/> | |
23670 <param name="IL_equivalent" value="false"/> | |
23671 <section name="enzyme"> | |
23672 <param name="name" value="auto"/> | |
23673 <param name="specificity" value="none"/> | |
23674 </section> | |
23675 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23676 <output name="ctd_out" ftype="xml"> | |
23677 <assert_contents> | |
23678 <is_valid_xml/> | |
23679 </assert_contents> | |
23680 </output> | |
23681 </test> | |
23682 <test expect_num_outputs="2"> | |
23683 <conditional name="adv_opts_cond"> | |
23684 <param name="adv_opts_selector" value="advanced"/> | |
23685 <param name="force" value="false"/> | |
23686 <param name="test" value="true"/> | |
23687 </conditional> | |
23688 <param name="in" value="PeptideIndexer_1.idXML"/> | |
23689 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23690 <output name="out" file="PeptideIndexer_4_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23691 <param name="decoy_string" value=""/> | |
23692 <param name="decoy_string_position" value="prefix"/> | |
23693 <param name="missing_decoy_action" value="error"/> | |
23694 <param name="write_protein_sequence" value="true"/> | |
23695 <param name="write_protein_description" value="false"/> | |
23696 <param name="keep_unreferenced_proteins" value="false"/> | |
23697 <param name="unmatched_action" value="warn"/> | |
23698 <param name="aaa_max" value="0"/> | |
23699 <param name="mismatches_max" value="0"/> | |
23700 <param name="IL_equivalent" value="false"/> | |
23701 <section name="enzyme"> | |
23702 <param name="name" value="auto"/> | |
23703 <param name="specificity" value="none"/> | |
23704 </section> | |
23705 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23706 <output name="ctd_out" ftype="xml"> | |
23707 <assert_contents> | |
23708 <is_valid_xml/> | |
23709 </assert_contents> | |
23710 </output> | |
23711 </test> | |
23712 <test expect_num_outputs="2"> | |
23713 <conditional name="adv_opts_cond"> | |
23714 <param name="adv_opts_selector" value="advanced"/> | |
23715 <param name="force" value="false"/> | |
23716 <param name="test" value="true"/> | |
23717 </conditional> | |
23718 <param name="in" value="PeptideIndexer_1.idXML"/> | |
23719 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23720 <output name="out" file="PeptideIndexer_5_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23721 <param name="decoy_string" value=""/> | |
23722 <param name="decoy_string_position" value="prefix"/> | |
23723 <param name="missing_decoy_action" value="error"/> | |
23724 <param name="write_protein_sequence" value="false"/> | |
23725 <param name="write_protein_description" value="false"/> | |
23726 <param name="keep_unreferenced_proteins" value="false"/> | |
23727 <param name="unmatched_action" value="warn"/> | |
23728 <param name="aaa_max" value="4"/> | |
23729 <param name="mismatches_max" value="0"/> | |
23730 <param name="IL_equivalent" value="false"/> | |
23731 <section name="enzyme"> | |
23732 <param name="name" value="auto"/> | |
23733 <param name="specificity" value="none"/> | |
23734 </section> | |
23735 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23736 <output name="ctd_out" ftype="xml"> | |
23737 <assert_contents> | |
23738 <is_valid_xml/> | |
23739 </assert_contents> | |
23740 </output> | |
23741 </test> | |
23742 <test expect_num_outputs="2"> | |
23743 <conditional name="adv_opts_cond"> | |
23744 <param name="adv_opts_selector" value="advanced"/> | |
23745 <param name="force" value="false"/> | |
23746 <param name="test" value="true"/> | |
23747 </conditional> | |
23748 <param name="in" value="PeptideIndexer_2.idXML"/> | |
23749 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23750 <output name="out" file="PeptideIndexer_6_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23751 <param name="decoy_string" value=""/> | |
23752 <param name="decoy_string_position" value="prefix"/> | |
23753 <param name="missing_decoy_action" value="error"/> | |
23754 <param name="write_protein_sequence" value="false"/> | |
23755 <param name="write_protein_description" value="false"/> | |
23756 <param name="keep_unreferenced_proteins" value="false"/> | |
23757 <param name="unmatched_action" value="warn"/> | |
23758 <param name="aaa_max" value="3"/> | |
23759 <param name="mismatches_max" value="0"/> | |
23760 <param name="IL_equivalent" value="false"/> | |
23761 <section name="enzyme"> | |
23762 <param name="name" value="auto"/> | |
23763 <param name="specificity" value="none"/> | |
23764 </section> | |
23765 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23766 <output name="ctd_out" ftype="xml"> | |
23767 <assert_contents> | |
23768 <is_valid_xml/> | |
23769 </assert_contents> | |
23770 </output> | |
23771 </test> | |
23772 <test expect_num_outputs="2"> | |
23773 <conditional name="adv_opts_cond"> | |
23774 <param name="adv_opts_selector" value="advanced"/> | |
23775 <param name="force" value="false"/> | |
23776 <param name="test" value="true"/> | |
23777 </conditional> | |
23778 <param name="in" value="PeptideIndexer_3.idXML"/> | |
23779 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23780 <output name="out" file="PeptideIndexer_7_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23781 <param name="decoy_string" value="DECOY_"/> | |
23782 <param name="decoy_string_position" value="prefix"/> | |
23783 <param name="missing_decoy_action" value="error"/> | |
23784 <param name="write_protein_sequence" value="false"/> | |
23785 <param name="write_protein_description" value="false"/> | |
23786 <param name="keep_unreferenced_proteins" value="false"/> | |
23787 <param name="unmatched_action" value="warn"/> | |
23788 <param name="aaa_max" value="4"/> | |
23789 <param name="mismatches_max" value="0"/> | |
23790 <param name="IL_equivalent" value="false"/> | |
23791 <section name="enzyme"> | |
23792 <param name="name" value="auto"/> | |
23793 <param name="specificity" value="full"/> | |
23794 </section> | |
23795 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23796 <output name="ctd_out" ftype="xml"> | |
23797 <assert_contents> | |
23798 <is_valid_xml/> | |
23799 </assert_contents> | |
23800 </output> | |
23801 </test> | |
23802 <test expect_num_outputs="2"> | |
23803 <conditional name="adv_opts_cond"> | |
23804 <param name="adv_opts_selector" value="advanced"/> | |
23805 <param name="force" value="false"/> | |
23806 <param name="test" value="true"/> | |
23807 </conditional> | |
23808 <param name="in" value="PeptideIndexer_3.idXML"/> | |
23809 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23810 <output name="out" file="PeptideIndexer_8_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23811 <param name="decoy_string" value=""/> | |
23812 <param name="decoy_string_position" value="prefix"/> | |
23813 <param name="missing_decoy_action" value="error"/> | |
23814 <param name="write_protein_sequence" value="false"/> | |
23815 <param name="write_protein_description" value="false"/> | |
23816 <param name="keep_unreferenced_proteins" value="false"/> | |
23817 <param name="unmatched_action" value="warn"/> | |
23818 <param name="aaa_max" value="4"/> | |
23819 <param name="mismatches_max" value="0"/> | |
23820 <param name="IL_equivalent" value="false"/> | |
23821 <section name="enzyme"> | |
23822 <param name="name" value="auto"/> | |
23823 <param name="specificity" value="semi"/> | |
23824 </section> | |
23825 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23826 <output name="ctd_out" ftype="xml"> | |
23827 <assert_contents> | |
23828 <is_valid_xml/> | |
23829 </assert_contents> | |
23830 </output> | |
23831 </test> | |
23832 <test expect_num_outputs="2"> | |
23833 <conditional name="adv_opts_cond"> | |
23834 <param name="adv_opts_selector" value="advanced"/> | |
23835 <param name="force" value="false"/> | |
23836 <param name="test" value="true"/> | |
23837 </conditional> | |
23838 <param name="in" value="PeptideIndexer_3.idXML"/> | |
23839 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23840 <output name="out" file="PeptideIndexer_9_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23841 <param name="decoy_string" value=""/> | |
23842 <param name="decoy_string_position" value="prefix"/> | |
23843 <param name="missing_decoy_action" value="error"/> | |
23844 <param name="write_protein_sequence" value="false"/> | |
23845 <param name="write_protein_description" value="false"/> | |
23846 <param name="keep_unreferenced_proteins" value="false"/> | |
23847 <param name="unmatched_action" value="remove"/> | |
23848 <param name="aaa_max" value="4"/> | |
23849 <param name="mismatches_max" value="0"/> | |
23850 <param name="IL_equivalent" value="false"/> | |
23851 <section name="enzyme"> | |
23852 <param name="name" value="auto"/> | |
23853 <param name="specificity" value="none"/> | |
23854 </section> | |
23855 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23856 <output name="ctd_out" ftype="xml"> | |
23857 <assert_contents> | |
23858 <is_valid_xml/> | |
23859 </assert_contents> | |
23860 </output> | |
23861 </test> | |
23862 <test expect_num_outputs="2"> | |
23863 <conditional name="adv_opts_cond"> | |
23864 <param name="adv_opts_selector" value="advanced"/> | |
23865 <param name="force" value="false"/> | |
23866 <param name="test" value="true"/> | |
23867 </conditional> | |
23868 <param name="in" value="PeptideIndexer_10_input.idXML"/> | |
23869 <param name="fasta" value="PeptideIndexer_10_input.fasta"/> | |
23870 <output name="out" file="PeptideIndexer_10_output.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23871 <param name="decoy_string" value=""/> | |
23872 <param name="decoy_string_position" value="prefix"/> | |
23873 <param name="missing_decoy_action" value="error"/> | |
23874 <param name="write_protein_sequence" value="true"/> | |
23875 <param name="write_protein_description" value="false"/> | |
23876 <param name="keep_unreferenced_proteins" value="false"/> | |
23877 <param name="unmatched_action" value="error"/> | |
23878 <param name="aaa_max" value="3"/> | |
23879 <param name="mismatches_max" value="0"/> | |
23880 <param name="IL_equivalent" value="true"/> | |
23881 <section name="enzyme"> | |
23882 <param name="name" value="auto"/> | |
23883 <param name="specificity" value="auto"/> | |
23884 </section> | |
23885 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23886 <output name="ctd_out" ftype="xml"> | |
23887 <assert_contents> | |
23888 <is_valid_xml/> | |
23889 </assert_contents> | |
23890 </output> | |
23891 </test> | |
23892 <test expect_num_outputs="2"> | |
23893 <conditional name="adv_opts_cond"> | |
23894 <param name="adv_opts_selector" value="advanced"/> | |
23895 <param name="force" value="false"/> | |
23896 <param name="test" value="true"/> | |
23897 </conditional> | |
23898 <param name="in" value="PeptideIndexer_1.idXML"/> | |
23899 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23900 <output name="out" file="PeptideIndexer_12_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23901 <param name="decoy_string" value=""/> | |
23902 <param name="decoy_string_position" value="prefix"/> | |
23903 <param name="missing_decoy_action" value="error"/> | |
23904 <param name="write_protein_sequence" value="false"/> | |
23905 <param name="write_protein_description" value="false"/> | |
23906 <param name="keep_unreferenced_proteins" value="false"/> | |
23907 <param name="unmatched_action" value="warn"/> | |
23908 <param name="aaa_max" value="4"/> | |
23909 <param name="mismatches_max" value="0"/> | |
23910 <param name="IL_equivalent" value="false"/> | |
23911 <section name="enzyme"> | |
23912 <param name="name" value="auto"/> | |
23913 <param name="specificity" value="none"/> | |
23914 </section> | |
23915 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23916 <output name="ctd_out" ftype="xml"> | |
23917 <assert_contents> | |
23918 <is_valid_xml/> | |
23919 </assert_contents> | |
23920 </output> | |
23921 </test> | |
23922 <test expect_num_outputs="2"> | |
23923 <conditional name="adv_opts_cond"> | |
23924 <param name="adv_opts_selector" value="advanced"/> | |
23925 <param name="force" value="false"/> | |
23926 <param name="test" value="true"/> | |
23927 </conditional> | |
23928 <param name="in" value="empty.idXML"/> | |
23929 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23930 <output name="out" file="PeptideIndexer_13_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23931 <param name="decoy_string" value=""/> | |
23932 <param name="decoy_string_position" value="prefix"/> | |
23933 <param name="missing_decoy_action" value="error"/> | |
23934 <param name="write_protein_sequence" value="false"/> | |
23935 <param name="write_protein_description" value="false"/> | |
23936 <param name="keep_unreferenced_proteins" value="false"/> | |
23937 <param name="unmatched_action" value="error"/> | |
23938 <param name="aaa_max" value="4"/> | |
23939 <param name="mismatches_max" value="0"/> | |
23940 <param name="IL_equivalent" value="false"/> | |
23941 <section name="enzyme"> | |
23942 <param name="name" value="auto"/> | |
23943 <param name="specificity" value="auto"/> | |
23944 </section> | |
23945 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23946 <output name="ctd_out" ftype="xml"> | |
23947 <assert_contents> | |
23948 <is_valid_xml/> | |
23949 </assert_contents> | |
23950 </output> | |
23951 </test> | |
23952 <test expect_num_outputs="2"> | |
23953 <conditional name="adv_opts_cond"> | |
23954 <param name="adv_opts_selector" value="advanced"/> | |
23955 <param name="force" value="false"/> | |
23956 <param name="test" value="true"/> | |
23957 </conditional> | |
23958 <param name="in" value="PeptideIndexer_14.idXML"/> | |
23959 <param name="fasta" value="PeptideIndexer_2.fasta"/> | |
23960 <output name="out" file="PeptideIndexer_14_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23961 <param name="decoy_string" value=""/> | |
23962 <param name="decoy_string_position" value="prefix"/> | |
23963 <param name="missing_decoy_action" value="error"/> | |
23964 <param name="write_protein_sequence" value="true"/> | |
23965 <param name="write_protein_description" value="false"/> | |
23966 <param name="keep_unreferenced_proteins" value="false"/> | |
23967 <param name="unmatched_action" value="error"/> | |
23968 <param name="aaa_max" value="4"/> | |
23969 <param name="mismatches_max" value="0"/> | |
23970 <param name="IL_equivalent" value="false"/> | |
23971 <section name="enzyme"> | |
23972 <param name="name" value="auto"/> | |
23973 <param name="specificity" value="none"/> | |
23974 </section> | |
23975 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23976 <output name="ctd_out" ftype="xml"> | |
23977 <assert_contents> | |
23978 <is_valid_xml/> | |
23979 </assert_contents> | |
23980 </output> | |
23981 </test> | |
23982 </xml> | |
23983 <xml name="autotest_PercolatorAdapter"> | |
23984 <test expect_num_outputs="2"> | |
23985 <conditional name="adv_opts_cond"> | |
23986 <param name="adv_opts_selector" value="advanced"/> | |
23987 <param name="generic_feature_set" value="false"/> | |
23988 <param name="subset_max_train" value="0"/> | |
23989 <param name="cpos" value="0.0"/> | |
23990 <param name="cneg" value="0.0"/> | |
23991 <param name="testFDR" value="0.5"/> | |
23992 <param name="trainFDR" value="0.5"/> | |
23993 <param name="maxiter" value="10"/> | |
23994 <param name="nested_xval_bins" value="1"/> | |
23995 <param name="quick_validation" value="false"/> | |
23996 <param name="static" value="false"/> | |
23997 <param name="default_direction" value=""/> | |
23998 <param name="verbose" value="2"/> | |
23999 <param name="unitnorm" value="false"/> | |
24000 <param name="test_each_iteration" value="false"/> | |
24001 <param name="override" value="false"/> | |
24002 <param name="seed" value="1"/> | |
24003 <param name="doc" value="0"/> | |
24004 <param name="klammer" value="false"/> | |
24005 <param name="decoy_pattern" value="random"/> | |
24006 <param name="post_processing_tdc" value="false"/> | |
24007 <param name="train_best_positive" value="false"/> | |
24008 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
24009 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
24010 <param name="ipf_min_transition_sn" value="0.0"/> | |
24011 <param name="force" value="false"/> | |
24012 <param name="test" value="true"/> | |
24013 </conditional> | |
24014 <param name="in" value="PercolatorAdapter_1.idXML"/> | |
24015 <output name="out" file="PercolatorAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
24016 <param name="out_type" value="idXML"/> | |
24017 <param name="enzyme" value="trypsin"/> | |
24018 <param name="peptide_level_fdrs" value="false"/> | |
24019 <param name="protein_level_fdrs" value="false"/> | |
24020 <param name="osw_level" value="ms2"/> | |
24021 <param name="score_type" value="q-value"/> | |
24022 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24023 <output name="ctd_out" ftype="xml"> | |
24024 <assert_contents> | |
24025 <is_valid_xml/> | |
24026 </assert_contents> | |
24027 </output> | |
24028 </test> | |
24029 <test expect_num_outputs="2"> | |
24030 <conditional name="adv_opts_cond"> | |
24031 <param name="adv_opts_selector" value="advanced"/> | |
24032 <param name="generic_feature_set" value="false"/> | |
24033 <param name="subset_max_train" value="0"/> | |
24034 <param name="cpos" value="0.0"/> | |
24035 <param name="cneg" value="0.0"/> | |
24036 <param name="testFDR" value="0.01"/> | |
24037 <param name="trainFDR" value="0.01"/> | |
24038 <param name="maxiter" value="10"/> | |
24039 <param name="nested_xval_bins" value="1"/> | |
24040 <param name="quick_validation" value="false"/> | |
24041 <param name="static" value="false"/> | |
24042 <param name="default_direction" value=""/> | |
24043 <param name="verbose" value="2"/> | |
24044 <param name="unitnorm" value="false"/> | |
24045 <param name="test_each_iteration" value="false"/> | |
24046 <param name="override" value="false"/> | |
24047 <param name="seed" value="1"/> | |
24048 <param name="doc" value="0"/> | |
24049 <param name="klammer" value="false"/> | |
24050 <param name="decoy_pattern" value="random"/> | |
24051 <param name="post_processing_tdc" value="false"/> | |
24052 <param name="train_best_positive" value="false"/> | |
24053 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
24054 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
24055 <param name="ipf_min_transition_sn" value="0.0"/> | |
24056 <param name="force" value="false"/> | |
24057 <param name="test" value="true"/> | |
24058 </conditional> | |
24059 <param name="in_osw" value="PercolatorAdapter_2.osw"/> | |
24060 <output name="out" file="PercolatorAdapter_2_out1.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
24061 <param name="out_type" value="osw"/> | |
24062 <param name="enzyme" value="trypsin"/> | |
24063 <param name="peptide_level_fdrs" value="false"/> | |
24064 <param name="protein_level_fdrs" value="false"/> | |
24065 <param name="osw_level" value="ms1"/> | |
24066 <param name="score_type" value="q-value"/> | |
24067 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24068 <output name="ctd_out" ftype="xml"> | |
24069 <assert_contents> | |
24070 <is_valid_xml/> | |
24071 </assert_contents> | |
24072 </output> | |
24073 </test> | |
24074 <test expect_num_outputs="2"> | |
24075 <conditional name="adv_opts_cond"> | |
24076 <param name="adv_opts_selector" value="advanced"/> | |
24077 <param name="generic_feature_set" value="false"/> | |
24078 <param name="subset_max_train" value="0"/> | |
24079 <param name="cpos" value="0.0"/> | |
24080 <param name="cneg" value="0.0"/> | |
24081 <param name="testFDR" value="0.01"/> | |
24082 <param name="trainFDR" value="0.01"/> | |
24083 <param name="maxiter" value="10"/> | |
24084 <param name="nested_xval_bins" value="1"/> | |
24085 <param name="quick_validation" value="false"/> | |
24086 <param name="static" value="false"/> | |
24087 <param name="default_direction" value=""/> | |
24088 <param name="verbose" value="2"/> | |
24089 <param name="unitnorm" value="false"/> | |
24090 <param name="test_each_iteration" value="false"/> | |
24091 <param name="override" value="false"/> | |
24092 <param name="seed" value="1"/> | |
24093 <param name="doc" value="0"/> | |
24094 <param name="klammer" value="false"/> | |
24095 <param name="decoy_pattern" value="random"/> | |
24096 <param name="post_processing_tdc" value="false"/> | |
24097 <param name="train_best_positive" value="false"/> | |
24098 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
24099 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
24100 <param name="ipf_min_transition_sn" value="0.0"/> | |
24101 <param name="force" value="false"/> | |
24102 <param name="test" value="true"/> | |
24103 </conditional> | |
24104 <param name="in_osw" value="PercolatorAdapter_2_out1.osw"/> | |
24105 <output name="out" file="PercolatorAdapter_3_out1.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
24106 <param name="out_type" value="osw"/> | |
24107 <param name="enzyme" value="trypsin"/> | |
24108 <param name="peptide_level_fdrs" value="false"/> | |
24109 <param name="protein_level_fdrs" value="false"/> | |
24110 <param name="osw_level" value="ms2"/> | |
24111 <param name="score_type" value="q-value"/> | |
24112 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24113 <output name="ctd_out" ftype="xml"> | |
24114 <assert_contents> | |
24115 <is_valid_xml/> | |
24116 </assert_contents> | |
24117 </output> | |
24118 </test> | |
24119 <test expect_num_outputs="2"> | |
24120 <conditional name="adv_opts_cond"> | |
24121 <param name="adv_opts_selector" value="advanced"/> | |
24122 <param name="generic_feature_set" value="false"/> | |
24123 <param name="subset_max_train" value="0"/> | |
24124 <param name="cpos" value="0.0"/> | |
24125 <param name="cneg" value="0.0"/> | |
24126 <param name="testFDR" value="0.01"/> | |
24127 <param name="trainFDR" value="0.01"/> | |
24128 <param name="maxiter" value="10"/> | |
24129 <param name="nested_xval_bins" value="1"/> | |
24130 <param name="quick_validation" value="false"/> | |
24131 <param name="static" value="false"/> | |
24132 <param name="default_direction" value=""/> | |
24133 <param name="verbose" value="2"/> | |
24134 <param name="unitnorm" value="false"/> | |
24135 <param name="test_each_iteration" value="false"/> | |
24136 <param name="override" value="false"/> | |
24137 <param name="seed" value="1"/> | |
24138 <param name="doc" value="0"/> | |
24139 <param name="klammer" value="false"/> | |
24140 <param name="decoy_pattern" value="random"/> | |
24141 <param name="post_processing_tdc" value="false"/> | |
24142 <param name="train_best_positive" value="false"/> | |
24143 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
24144 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
24145 <param name="ipf_min_transition_sn" value="0.0"/> | |
24146 <param name="force" value="false"/> | |
24147 <param name="test" value="true"/> | |
24148 </conditional> | |
24149 <param name="in_osw" value="PercolatorAdapter_3_out1.osw"/> | |
24150 <output name="out" file="PercolatorAdapter_4_out1.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
24151 <param name="out_type" value="osw"/> | |
24152 <param name="enzyme" value="trypsin"/> | |
24153 <param name="peptide_level_fdrs" value="false"/> | |
24154 <param name="protein_level_fdrs" value="false"/> | |
24155 <param name="osw_level" value="transition"/> | |
24156 <param name="score_type" value="q-value"/> | |
24157 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24158 <output name="ctd_out" ftype="xml"> | |
24159 <assert_contents> | |
24160 <is_valid_xml/> | |
24161 </assert_contents> | |
24162 </output> | |
24163 </test> | |
24164 <test expect_num_outputs="3"> | |
24165 <conditional name="adv_opts_cond"> | |
24166 <param name="adv_opts_selector" value="advanced"/> | |
24167 <param name="generic_feature_set" value="false"/> | |
24168 <param name="subset_max_train" value="0"/> | |
24169 <param name="cpos" value="0.0"/> | |
24170 <param name="cneg" value="0.0"/> | |
24171 <param name="testFDR" value="0.5"/> | |
24172 <param name="trainFDR" value="0.5"/> | |
24173 <param name="maxiter" value="10"/> | |
24174 <param name="nested_xval_bins" value="1"/> | |
24175 <param name="quick_validation" value="false"/> | |
24176 <param name="static" value="false"/> | |
24177 <param name="default_direction" value=""/> | |
24178 <param name="verbose" value="2"/> | |
24179 <param name="unitnorm" value="false"/> | |
24180 <param name="test_each_iteration" value="false"/> | |
24181 <param name="override" value="false"/> | |
24182 <param name="seed" value="1"/> | |
24183 <param name="doc" value="0"/> | |
24184 <param name="klammer" value="false"/> | |
24185 <param name="decoy_pattern" value="random"/> | |
24186 <param name="post_processing_tdc" value="false"/> | |
24187 <param name="train_best_positive" value="false"/> | |
24188 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
24189 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
24190 <param name="ipf_min_transition_sn" value="0.0"/> | |
24191 <param name="force" value="false"/> | |
24192 <param name="test" value="true"/> | |
24193 </conditional> | |
24194 <param name="in" value="PercolatorAdapter_1.idXML"/> | |
24195 <output name="out" file="PercolatorAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
24196 <output name="out_pin" file="PercolatorAdapter_1_out1.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
24197 <param name="out_type" value="idXML"/> | |
24198 <param name="enzyme" value="trypsin"/> | |
24199 <param name="peptide_level_fdrs" value="false"/> | |
24200 <param name="protein_level_fdrs" value="false"/> | |
24201 <param name="osw_level" value="ms2"/> | |
24202 <param name="score_type" value="q-value"/> | |
24203 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_pin_FLAG"/> | |
24204 <output name="ctd_out" ftype="xml"> | |
24205 <assert_contents> | |
24206 <is_valid_xml/> | |
24207 </assert_contents> | |
24208 </output> | |
24209 </test> | |
24210 </xml> | |
24211 <xml name="autotest_PhosphoScoring"> | |
24212 </xml> | |
24213 <xml name="autotest_PrecursorIonSelector"> | |
24214 <test expect_num_outputs="2"> | |
24215 <conditional name="adv_opts_cond"> | |
24216 <param name="adv_opts_selector" value="advanced"/> | |
24217 <param name="solver" value="GLPK"/> | |
24218 <param name="force" value="false"/> | |
24219 <param name="test" value="true"/> | |
24220 </conditional> | |
24221 <param name="in" value="PrecursorIonSelector_features.featureXML"/> | |
24222 <param name="ids" value="PrecursorIonSelector_ids.idXML"/> | |
24223 <param name="num_precursors" value="1"/> | |
24224 <param name="load_preprocessing" value="false"/> | |
24225 <param name="store_preprocessing" value="false"/> | |
24226 <param name="simulation" value="true"/> | |
24227 <output name="sim_results" file="PrecursorIonSelector_1_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
24228 <param name="db_path" value="PrecursorIonSelector_db.fasta"/> | |
24229 <param name="fixed_modifications" value=""/> | |
24230 <section name="algorithm"> | |
24231 <param name="type" value="IPS"/> | |
24232 <param name="max_iteration" value="10"/> | |
24233 <param name="rt_bin_capacity" value="10"/> | |
24234 <param name="step_size" value="1"/> | |
24235 <param name="peptide_min_prob" value="0.2"/> | |
24236 <param name="sequential_spectrum_order" value="false"/> | |
24237 <section name="MIPFormulation"> | |
24238 <section name="thresholds"> | |
24239 <param name="min_protein_probability" value="0.2"/> | |
24240 <param name="min_protein_id_probability" value="0.95"/> | |
24241 <param name="min_pt_weight" value="0.5"/> | |
24242 <param name="min_mz" value="500.0"/> | |
24243 <param name="max_mz" value="5000.0"/> | |
24244 <param name="min_pred_pep_prob" value="0.5"/> | |
24245 <param name="min_rt_weight" value="0.5"/> | |
24246 <param name="use_peptide_rule" value="true"/> | |
24247 <param name="min_peptide_ids" value="2"/> | |
24248 <param name="min_peptide_probability" value="0.95"/> | |
24249 </section> | |
24250 <section name="combined_ilp"> | |
24251 <param name="k1" value="0.2"/> | |
24252 <param name="k2" value="0.2"/> | |
24253 <param name="k3" value="0.4"/> | |
24254 <param name="scale_matching_probs" value="true"/> | |
24255 </section> | |
24256 <section name="feature_based"> | |
24257 <param name="no_intensity_normalization" value="false"/> | |
24258 <param name="max_number_precursors_per_feature" value="1"/> | |
24259 </section> | |
24260 </section> | |
24261 <section name="Preprocessing"> | |
24262 <param name="precursor_mass_tolerance" value="0.9"/> | |
24263 <param name="precursor_mass_tolerance_unit" value="Da"/> | |
24264 <param name="preprocessed_db_path" value=""/> | |
24265 <param name="preprocessed_db_pred_rt_path" value=""/> | |
24266 <param name="preprocessed_db_pred_dt_path" value=""/> | |
24267 <param name="max_peptides_per_run" value="100000"/> | |
24268 <param name="missed_cleavages" value="1"/> | |
24269 <param name="taxonomy" value=""/> | |
24270 <param name="store_peptide_sequences" value="false"/> | |
24271 <section name="rt_settings"> | |
24272 <param name="min_rt" value="960.0"/> | |
24273 <param name="max_rt" value="3840.0"/> | |
24274 <param name="rt_step_size" value="30.0"/> | |
24275 <param name="gauss_mean" value="-1.0"/> | |
24276 <param name="gauss_sigma" value="3.0"/> | |
24277 </section> | |
24278 </section> | |
24279 </section> | |
24280 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,sim_results_FLAG"/> | |
24281 <output name="ctd_out" ftype="xml"> | |
24282 <assert_contents> | |
24283 <is_valid_xml/> | |
24284 </assert_contents> | |
24285 </output> | |
24286 </test> | |
24287 <test expect_num_outputs="2"> | |
24288 <conditional name="adv_opts_cond"> | |
24289 <param name="adv_opts_selector" value="advanced"/> | |
24290 <param name="solver" value="GLPK"/> | |
24291 <param name="force" value="false"/> | |
24292 <param name="test" value="true"/> | |
24293 </conditional> | |
24294 <param name="in" value="PrecursorIonSelector_features.featureXML"/> | |
24295 <output name="out" file="PrecursorIonSelector_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
24296 <param name="ids" value="PrecursorIonSelector_ids.idXML"/> | |
24297 <param name="num_precursors" value="1"/> | |
24298 <param name="load_preprocessing" value="false"/> | |
24299 <param name="store_preprocessing" value="false"/> | |
24300 <param name="simulation" value="false"/> | |
24301 <param name="db_path" value="PrecursorIonSelector_db.fasta"/> | |
24302 <param name="fixed_modifications" value=""/> | |
24303 <section name="algorithm"> | |
24304 <param name="type" value="IPS"/> | |
24305 <param name="max_iteration" value="10"/> | |
24306 <param name="rt_bin_capacity" value="10"/> | |
24307 <param name="step_size" value="1"/> | |
24308 <param name="peptide_min_prob" value="0.2"/> | |
24309 <param name="sequential_spectrum_order" value="false"/> | |
24310 <section name="MIPFormulation"> | |
24311 <section name="thresholds"> | |
24312 <param name="min_protein_probability" value="0.2"/> | |
24313 <param name="min_protein_id_probability" value="0.95"/> | |
24314 <param name="min_pt_weight" value="0.5"/> | |
24315 <param name="min_mz" value="500.0"/> | |
24316 <param name="max_mz" value="5000.0"/> | |
24317 <param name="min_pred_pep_prob" value="0.5"/> | |
24318 <param name="min_rt_weight" value="0.5"/> | |
24319 <param name="use_peptide_rule" value="true"/> | |
24320 <param name="min_peptide_ids" value="2"/> | |
24321 <param name="min_peptide_probability" value="0.95"/> | |
24322 </section> | |
24323 <section name="combined_ilp"> | |
24324 <param name="k1" value="0.2"/> | |
24325 <param name="k2" value="0.2"/> | |
24326 <param name="k3" value="0.4"/> | |
24327 <param name="scale_matching_probs" value="true"/> | |
24328 </section> | |
24329 <section name="feature_based"> | |
24330 <param name="no_intensity_normalization" value="false"/> | |
24331 <param name="max_number_precursors_per_feature" value="1"/> | |
24332 </section> | |
24333 </section> | |
24334 <section name="Preprocessing"> | |
24335 <param name="precursor_mass_tolerance" value="0.9"/> | |
24336 <param name="precursor_mass_tolerance_unit" value="Da"/> | |
24337 <param name="preprocessed_db_path" value=""/> | |
24338 <param name="preprocessed_db_pred_rt_path" value=""/> | |
24339 <param name="preprocessed_db_pred_dt_path" value=""/> | |
24340 <param name="max_peptides_per_run" value="100000"/> | |
24341 <param name="missed_cleavages" value="1"/> | |
24342 <param name="taxonomy" value=""/> | |
24343 <param name="store_peptide_sequences" value="false"/> | |
24344 <section name="rt_settings"> | |
24345 <param name="min_rt" value="960.0"/> | |
24346 <param name="max_rt" value="3840.0"/> | |
24347 <param name="rt_step_size" value="30.0"/> | |
24348 <param name="gauss_mean" value="-1.0"/> | |
24349 <param name="gauss_sigma" value="3.0"/> | |
24350 </section> | |
24351 </section> | |
24352 </section> | |
24353 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24354 <output name="ctd_out" ftype="xml"> | |
24355 <assert_contents> | |
24356 <is_valid_xml/> | |
24357 </assert_contents> | |
24358 </output> | |
24359 </test> | |
24360 </xml> | |
24361 <xml name="autotest_PrecursorMassCorrector"> | |
24362 <test expect_num_outputs="2"> | |
24363 <conditional name="adv_opts_cond"> | |
24364 <param name="adv_opts_selector" value="advanced"/> | |
24365 <param name="max_charge" value="3"/> | |
24366 <param name="intensity_threshold" value="-1.0"/> | |
24367 <param name="force" value="false"/> | |
24368 <param name="test" value="true"/> | |
24369 </conditional> | |
24370 <param name="in" value="PrecursorMassCorrector_1_input.mzML"/> | |
24371 <output name="out" file="PrecursorMassCorrector_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
24372 <param name="precursor_mass_tolerance" value="1.5"/> | |
24373 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24374 <output name="ctd_out" ftype="xml"> | |
24375 <assert_contents> | |
24376 <is_valid_xml/> | |
24377 </assert_contents> | |
24378 </output> | |
24379 </test> | |
24380 </xml> | |
24381 <xml name="autotest_ProteinInference"> | |
24382 <test expect_num_outputs="2"> | |
24383 <conditional name="adv_opts_cond"> | |
24384 <param name="adv_opts_selector" value="advanced"/> | |
24385 <param name="force" value="false"/> | |
24386 <param name="test" value="true"/> | |
24387 </conditional> | |
24388 <param name="in" value="ProteinInference_1_input.idXML"/> | |
24389 <output name="out" file="ProteinInference_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
24390 <param name="merge_runs" value="all"/> | |
24391 <param name="annotate_indist_groups" value="true"/> | |
24392 <section name="Merging"> | |
24393 <param name="annotate_origin" value="false"/> | |
24394 <param name="allow_disagreeing_settings" value="false"/> | |
24395 </section> | |
24396 <section name="Algorithm"> | |
24397 <param name="min_peptides_per_protein" value="1"/> | |
24398 <param name="score_aggregation_method" value="maximum"/> | |
24399 <param name="treat_charge_variants_separately" value="true"/> | |
24400 <param name="treat_modification_variants_separately" value="true"/> | |
24401 <param name="use_shared_peptides" value="false"/> | |
24402 <param name="skip_count_annotation" value="false"/> | |
24403 </section> | |
24404 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24405 <output name="ctd_out" ftype="xml"> | |
24406 <assert_contents> | |
24407 <is_valid_xml/> | |
24408 </assert_contents> | |
24409 </output> | |
24410 </test> | |
24411 </xml> | |
24412 <xml name="autotest_ProteinQuantifier"> | |
24413 <test expect_num_outputs="3"> | |
24414 <conditional name="adv_opts_cond"> | |
24415 <param name="adv_opts_selector" value="advanced"/> | |
24416 <param name="force" value="false"/> | |
24417 <param name="test" value="true"/> | |
24418 </conditional> | |
24419 <param name="in" value="ProteinQuantifier_input.featureXML"/> | |
24420 <output name="out" file="ProteinQuantifier_1_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24421 <output name="peptide_out" file="ProteinQuantifier_1_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24422 <param name="top" value="3"/> | |
24423 <param name="average" value="median"/> | |
24424 <param name="include_all" value="false"/> | |
24425 <param name="best_charge_and_fraction" value="false"/> | |
24426 <param name="greedy_group_resolution" value="false"/> | |
24427 <param name="ratios" value="false"/> | |
24428 <param name="ratiosSILAC" value="false"/> | |
24429 <section name="consensus"> | |
24430 <param name="normalize" value="false"/> | |
24431 <param name="fix_peptides" value="false"/> | |
24432 </section> | |
24433 <section name="format"> | |
24434 <param name="separator" value=""/> | |
24435 <param name="quoting" value="double"/> | |
24436 <param name="replacement" value="_"/> | |
24437 </section> | |
24438 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,peptide_out_FLAG"/> | |
24439 <output name="ctd_out" ftype="xml"> | |
24440 <assert_contents> | |
24441 <is_valid_xml/> | |
24442 </assert_contents> | |
24443 </output> | |
24444 </test> | |
24445 <test expect_num_outputs="3"> | |
24446 <conditional name="adv_opts_cond"> | |
24447 <param name="adv_opts_selector" value="advanced"/> | |
24448 <param name="force" value="false"/> | |
24449 <param name="test" value="true"/> | |
24450 </conditional> | |
24451 <param name="in" value="ProteinQuantifier_input.featureXML"/> | |
24452 <output name="out" file="ProteinQuantifier_2_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24453 <output name="peptide_out" file="ProteinQuantifier_2_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24454 <param name="top" value="2"/> | |
24455 <param name="average" value="sum"/> | |
24456 <param name="include_all" value="true"/> | |
24457 <param name="best_charge_and_fraction" value="true"/> | |
24458 <param name="greedy_group_resolution" value="false"/> | |
24459 <param name="ratios" value="false"/> | |
24460 <param name="ratiosSILAC" value="false"/> | |
24461 <section name="consensus"> | |
24462 <param name="normalize" value="false"/> | |
24463 <param name="fix_peptides" value="false"/> | |
24464 </section> | |
24465 <section name="format"> | |
24466 <param name="separator" value=""/> | |
24467 <param name="quoting" value="double"/> | |
24468 <param name="replacement" value="_"/> | |
24469 </section> | |
24470 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,peptide_out_FLAG"/> | |
24471 <output name="ctd_out" ftype="xml"> | |
24472 <assert_contents> | |
24473 <is_valid_xml/> | |
24474 </assert_contents> | |
24475 </output> | |
24476 </test> | |
24477 <test expect_num_outputs="3"> | |
24478 <conditional name="adv_opts_cond"> | |
24479 <param name="adv_opts_selector" value="advanced"/> | |
24480 <param name="force" value="false"/> | |
24481 <param name="test" value="true"/> | |
24482 </conditional> | |
24483 <param name="in" value="ProteinQuantifier_3_input.featureXML"/> | |
24484 <output name="out" file="ProteinQuantifier_3_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24485 <output name="peptide_out" file="ProteinQuantifier_3_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24486 <param name="top" value="2"/> | |
24487 <param name="average" value="mean"/> | |
24488 <param name="include_all" value="true"/> | |
24489 <param name="best_charge_and_fraction" value="false"/> | |
24490 <param name="greedy_group_resolution" value="false"/> | |
24491 <param name="ratios" value="false"/> | |
24492 <param name="ratiosSILAC" value="false"/> | |
24493 <section name="consensus"> | |
24494 <param name="normalize" value="false"/> | |
24495 <param name="fix_peptides" value="false"/> | |
24496 </section> | |
24497 <section name="format"> | |
24498 <param name="separator" value=""/> | |
24499 <param name="quoting" value="double"/> | |
24500 <param name="replacement" value="_"/> | |
24501 </section> | |
24502 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,peptide_out_FLAG"/> | |
24503 <output name="ctd_out" ftype="xml"> | |
24504 <assert_contents> | |
24505 <is_valid_xml/> | |
24506 </assert_contents> | |
24507 </output> | |
24508 </test> | |
24509 <test expect_num_outputs="2"> | |
24510 <conditional name="adv_opts_cond"> | |
24511 <param name="adv_opts_selector" value="advanced"/> | |
24512 <param name="force" value="false"/> | |
24513 <param name="test" value="true"/> | |
24514 </conditional> | |
24515 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
24516 <output name="out" file="ProteinQuantifier_4_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24517 <param name="top" value="0"/> | |
24518 <param name="average" value="sum"/> | |
24519 <param name="include_all" value="false"/> | |
24520 <param name="best_charge_and_fraction" value="false"/> | |
24521 <param name="greedy_group_resolution" value="false"/> | |
24522 <param name="ratios" value="false"/> | |
24523 <param name="ratiosSILAC" value="false"/> | |
24524 <section name="consensus"> | |
24525 <param name="normalize" value="false"/> | |
24526 <param name="fix_peptides" value="false"/> | |
24527 </section> | |
24528 <section name="format"> | |
24529 <param name="separator" value=""/> | |
24530 <param name="quoting" value="double"/> | |
24531 <param name="replacement" value="_"/> | |
24532 </section> | |
24533 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24534 <output name="ctd_out" ftype="xml"> | |
24535 <assert_contents> | |
24536 <is_valid_xml/> | |
24537 </assert_contents> | |
24538 </output> | |
24539 </test> | |
24540 <test expect_num_outputs="2"> | |
24541 <conditional name="adv_opts_cond"> | |
24542 <param name="adv_opts_selector" value="advanced"/> | |
24543 <param name="force" value="false"/> | |
24544 <param name="test" value="true"/> | |
24545 </conditional> | |
24546 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
24547 <output name="out" file="ProteinQuantifier_5_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24548 <param name="top" value="3"/> | |
24549 <param name="average" value="sum"/> | |
24550 <param name="include_all" value="false"/> | |
24551 <param name="best_charge_and_fraction" value="false"/> | |
24552 <param name="greedy_group_resolution" value="false"/> | |
24553 <param name="ratios" value="false"/> | |
24554 <param name="ratiosSILAC" value="false"/> | |
24555 <section name="consensus"> | |
24556 <param name="normalize" value="false"/> | |
24557 <param name="fix_peptides" value="false"/> | |
24558 </section> | |
24559 <section name="format"> | |
24560 <param name="separator" value=""/> | |
24561 <param name="quoting" value="double"/> | |
24562 <param name="replacement" value="_"/> | |
24563 </section> | |
24564 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24565 <output name="ctd_out" ftype="xml"> | |
24566 <assert_contents> | |
24567 <is_valid_xml/> | |
24568 </assert_contents> | |
24569 </output> | |
24570 </test> | |
24571 <test expect_num_outputs="2"> | |
24572 <conditional name="adv_opts_cond"> | |
24573 <param name="adv_opts_selector" value="advanced"/> | |
24574 <param name="force" value="false"/> | |
24575 <param name="test" value="true"/> | |
24576 </conditional> | |
24577 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
24578 <output name="out" file="ProteinQuantifier_6_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24579 <param name="top" value="3"/> | |
24580 <param name="average" value="sum"/> | |
24581 <param name="include_all" value="true"/> | |
24582 <param name="best_charge_and_fraction" value="false"/> | |
24583 <param name="greedy_group_resolution" value="false"/> | |
24584 <param name="ratios" value="false"/> | |
24585 <param name="ratiosSILAC" value="false"/> | |
24586 <section name="consensus"> | |
24587 <param name="normalize" value="false"/> | |
24588 <param name="fix_peptides" value="false"/> | |
24589 </section> | |
24590 <section name="format"> | |
24591 <param name="separator" value=""/> | |
24592 <param name="quoting" value="double"/> | |
24593 <param name="replacement" value="_"/> | |
24594 </section> | |
24595 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24596 <output name="ctd_out" ftype="xml"> | |
24597 <assert_contents> | |
24598 <is_valid_xml/> | |
24599 </assert_contents> | |
24600 </output> | |
24601 </test> | |
24602 <test expect_num_outputs="2"> | |
24603 <conditional name="adv_opts_cond"> | |
24604 <param name="adv_opts_selector" value="advanced"/> | |
24605 <param name="force" value="false"/> | |
24606 <param name="test" value="true"/> | |
24607 </conditional> | |
24608 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
24609 <output name="out" file="ProteinQuantifier_7_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24610 <param name="top" value="0"/> | |
24611 <param name="average" value="sum"/> | |
24612 <param name="include_all" value="false"/> | |
24613 <param name="best_charge_and_fraction" value="false"/> | |
24614 <param name="greedy_group_resolution" value="false"/> | |
24615 <param name="ratios" value="false"/> | |
24616 <param name="ratiosSILAC" value="false"/> | |
24617 <section name="consensus"> | |
24618 <param name="normalize" value="false"/> | |
24619 <param name="fix_peptides" value="true"/> | |
24620 </section> | |
24621 <section name="format"> | |
24622 <param name="separator" value=""/> | |
24623 <param name="quoting" value="double"/> | |
24624 <param name="replacement" value="_"/> | |
24625 </section> | |
24626 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24627 <output name="ctd_out" ftype="xml"> | |
24628 <assert_contents> | |
24629 <is_valid_xml/> | |
24630 </assert_contents> | |
24631 </output> | |
24632 </test> | |
24633 <test expect_num_outputs="2"> | |
24634 <conditional name="adv_opts_cond"> | |
24635 <param name="adv_opts_selector" value="advanced"/> | |
24636 <param name="force" value="false"/> | |
24637 <param name="test" value="true"/> | |
24638 </conditional> | |
24639 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
24640 <output name="out" file="ProteinQuantifier_8_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24641 <param name="top" value="3"/> | |
24642 <param name="average" value="sum"/> | |
24643 <param name="include_all" value="false"/> | |
24644 <param name="best_charge_and_fraction" value="false"/> | |
24645 <param name="greedy_group_resolution" value="false"/> | |
24646 <param name="ratios" value="false"/> | |
24647 <param name="ratiosSILAC" value="false"/> | |
24648 <section name="consensus"> | |
24649 <param name="normalize" value="false"/> | |
24650 <param name="fix_peptides" value="true"/> | |
24651 </section> | |
24652 <section name="format"> | |
24653 <param name="separator" value=""/> | |
24654 <param name="quoting" value="double"/> | |
24655 <param name="replacement" value="_"/> | |
24656 </section> | |
24657 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24658 <output name="ctd_out" ftype="xml"> | |
24659 <assert_contents> | |
24660 <is_valid_xml/> | |
24661 </assert_contents> | |
24662 </output> | |
24663 </test> | |
24664 <test expect_num_outputs="3"> | |
24665 <conditional name="adv_opts_cond"> | |
24666 <param name="adv_opts_selector" value="advanced"/> | |
24667 <param name="force" value="false"/> | |
24668 <param name="test" value="true"/> | |
24669 </conditional> | |
24670 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
24671 <output name="out" file="ProteinQuantifier_9_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24672 <output name="mztab" file="ProteinQuantifier_9_output_mztab.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
24673 <param name="top" value="3"/> | |
24674 <param name="average" value="sum"/> | |
24675 <param name="include_all" value="true"/> | |
24676 <param name="best_charge_and_fraction" value="false"/> | |
24677 <param name="greedy_group_resolution" value="false"/> | |
24678 <param name="ratios" value="false"/> | |
24679 <param name="ratiosSILAC" value="false"/> | |
24680 <section name="consensus"> | |
24681 <param name="normalize" value="false"/> | |
24682 <param name="fix_peptides" value="true"/> | |
24683 </section> | |
24684 <section name="format"> | |
24685 <param name="separator" value=""/> | |
24686 <param name="quoting" value="double"/> | |
24687 <param name="replacement" value="_"/> | |
24688 </section> | |
24689 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,mztab_FLAG"/> | |
24690 <output name="ctd_out" ftype="xml"> | |
24691 <assert_contents> | |
24692 <is_valid_xml/> | |
24693 </assert_contents> | |
24694 </output> | |
24695 </test> | |
24696 <test expect_num_outputs="2"> | |
24697 <conditional name="adv_opts_cond"> | |
24698 <param name="adv_opts_selector" value="advanced"/> | |
24699 <param name="force" value="false"/> | |
24700 <param name="test" value="true"/> | |
24701 </conditional> | |
24702 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
24703 <output name="out" file="ProteinQuantifier_12_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24704 <param name="top" value="3"/> | |
24705 <param name="average" value="sum"/> | |
24706 <param name="include_all" value="true"/> | |
24707 <param name="best_charge_and_fraction" value="false"/> | |
24708 <param name="greedy_group_resolution" value="false"/> | |
24709 <param name="ratios" value="true"/> | |
24710 <param name="ratiosSILAC" value="false"/> | |
24711 <section name="consensus"> | |
24712 <param name="normalize" value="false"/> | |
24713 <param name="fix_peptides" value="true"/> | |
24714 </section> | |
24715 <section name="format"> | |
24716 <param name="separator" value=""/> | |
24717 <param name="quoting" value="double"/> | |
24718 <param name="replacement" value="_"/> | |
24719 </section> | |
24720 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24721 <output name="ctd_out" ftype="xml"> | |
24722 <assert_contents> | |
24723 <is_valid_xml/> | |
24724 </assert_contents> | |
24725 </output> | |
24726 </test> | |
24727 <test expect_num_outputs="2"> | |
24728 <conditional name="adv_opts_cond"> | |
24729 <param name="adv_opts_selector" value="advanced"/> | |
24730 <param name="force" value="false"/> | |
24731 <param name="test" value="true"/> | |
24732 </conditional> | |
24733 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
24734 <output name="out" file="ProteinQuantifier_13_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24735 <param name="top" value="3"/> | |
24736 <param name="average" value="sum"/> | |
24737 <param name="include_all" value="true"/> | |
24738 <param name="best_charge_and_fraction" value="false"/> | |
24739 <param name="greedy_group_resolution" value="false"/> | |
24740 <param name="ratios" value="false"/> | |
24741 <param name="ratiosSILAC" value="true"/> | |
24742 <section name="consensus"> | |
24743 <param name="normalize" value="false"/> | |
24744 <param name="fix_peptides" value="true"/> | |
24745 </section> | |
24746 <section name="format"> | |
24747 <param name="separator" value=""/> | |
24748 <param name="quoting" value="double"/> | |
24749 <param name="replacement" value="_"/> | |
24750 </section> | |
24751 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24752 <output name="ctd_out" ftype="xml"> | |
24753 <assert_contents> | |
24754 <is_valid_xml/> | |
24755 </assert_contents> | |
24756 </output> | |
24757 </test> | |
24758 <test expect_num_outputs="3"> | |
24759 <conditional name="adv_opts_cond"> | |
24760 <param name="adv_opts_selector" value="advanced"/> | |
24761 <param name="force" value="false"/> | |
24762 <param name="test" value="true"/> | |
24763 </conditional> | |
24764 <param name="in" value="ProteinQuantifier_input.idXML"/> | |
24765 <output name="out" file="ProteinQuantifier_14_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24766 <output name="peptide_out" file="ProteinQuantifier_14_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24767 <param name="top" value="0"/> | |
24768 <param name="average" value="sum"/> | |
24769 <param name="include_all" value="false"/> | |
24770 <param name="best_charge_and_fraction" value="false"/> | |
24771 <param name="greedy_group_resolution" value="false"/> | |
24772 <param name="ratios" value="false"/> | |
24773 <param name="ratiosSILAC" value="false"/> | |
24774 <section name="consensus"> | |
24775 <param name="normalize" value="false"/> | |
24776 <param name="fix_peptides" value="false"/> | |
24777 </section> | |
24778 <section name="format"> | |
24779 <param name="separator" value=""/> | |
24780 <param name="quoting" value="double"/> | |
24781 <param name="replacement" value="_"/> | |
24782 </section> | |
24783 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,peptide_out_FLAG"/> | |
24784 <output name="ctd_out" ftype="xml"> | |
24785 <assert_contents> | |
24786 <is_valid_xml/> | |
24787 </assert_contents> | |
24788 </output> | |
24789 </test> | |
24790 </xml> | |
24791 <xml name="autotest_ProteinResolver"> | |
24792 <test expect_num_outputs="4"> | |
24793 <conditional name="adv_opts_cond"> | |
24794 <param name="adv_opts_selector" value="advanced"/> | |
24795 <param name="force" value="false"/> | |
24796 <param name="test" value="true"/> | |
24797 </conditional> | |
24798 <param name="fasta" value="ProteinResolver_1_input.fasta"/> | |
24799 <param name="in" value="ProteinResolver_1_input.consensusXML"/> | |
24800 <param name="in_path" value=""/> | |
24801 <output name="protein_groups" file="ProteinResolver_1_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24802 <output name="peptide_table" file="ProteinResolver_1_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24803 <output name="protein_table" file="ProteinResolver_1_output3.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
24804 <section name="resolver"> | |
24805 <param name="missed_cleavages" value="2"/> | |
24806 <param name="min_length" value="6"/> | |
24807 <param name="enzyme" value="Trypsin"/> | |
24808 </section> | |
24809 <section name="designer"> | |
24810 <param name="experiment" value="ExperimentalSetting"/> | |
24811 <param name="file" value="File"/> | |
24812 <param name="separator" value="tab"/> | |
24813 </section> | |
24814 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,protein_groups_FLAG,peptide_table_FLAG,protein_table_FLAG"/> | |
24815 <output name="ctd_out" ftype="xml"> | |
24816 <assert_contents> | |
24817 <is_valid_xml/> | |
24818 </assert_contents> | |
24819 </output> | |
24820 </test> | |
24821 </xml> | |
24822 <xml name="autotest_PSMFeatureExtractor"> | |
24823 </xml> | |
24824 <xml name="autotest_PTModel"> | |
24825 <test expect_num_outputs="2"> | |
24826 <conditional name="adv_opts_cond"> | |
24827 <param name="adv_opts_selector" value="advanced"/> | |
24828 <param name="force" value="false"/> | |
24829 <param name="test" value="true"/> | |
24830 </conditional> | |
24831 <param name="in_positive" value="PTModel_1_input_positive.idXML"/> | |
24832 <param name="in_negative" value="PTModel_1_input_negative.idXML"/> | |
24833 <output name="out" file="PTModel_1_output.tmp" compare="sim_size" delta="5700" ftype="txt"/> | |
24834 <param name="c" value="0.5"/> | |
24835 <param name="svm_type" value="C_SVC"/> | |
24836 <param name="nu" value="0.5"/> | |
24837 <param name="kernel_type" value="OLIGO"/> | |
24838 <param name="degree" value="1"/> | |
24839 <param name="border_length" value="22"/> | |
24840 <param name="k_mer_length" value="1"/> | |
24841 <param name="sigma" value="5.0"/> | |
24842 <param name="max_positive_count" value="1000"/> | |
24843 <param name="max_negative_count" value="1000"/> | |
24844 <param name="redundant" value="false"/> | |
24845 <param name="additive_cv" value="false"/> | |
24846 <section name="cv"> | |
24847 <param name="skip_cv" value="true"/> | |
24848 <param name="number_of_runs" value="10"/> | |
24849 <param name="number_of_partitions" value="10"/> | |
24850 <param name="degree_start" value="1"/> | |
24851 <param name="degree_step_size" value="2"/> | |
24852 <param name="degree_stop" value="4"/> | |
24853 <param name="c_start" value="1.0"/> | |
24854 <param name="c_step_size" value="100.0"/> | |
24855 <param name="c_stop" value="1000.0"/> | |
24856 <param name="nu_start" value="0.1"/> | |
24857 <param name="nu_step_size" value="1.3"/> | |
24858 <param name="nu_stop" value="0.9"/> | |
24859 <param name="sigma_start" value="1.0"/> | |
24860 <param name="sigma_step_size" value="1.3"/> | |
24861 <param name="sigma_stop" value="15.0"/> | |
24862 </section> | |
24863 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24864 <output name="ctd_out" ftype="xml"> | |
24865 <assert_contents> | |
24866 <is_valid_xml/> | |
24867 </assert_contents> | |
24868 </output> | |
24869 </test> | |
24870 </xml> | |
24871 <xml name="autotest_QCCalculator"> | |
24872 </xml> | |
24873 <xml name="autotest_QCEmbedder"> | |
24874 </xml> | |
24875 <xml name="autotest_QCExporter"> | |
24876 </xml> | |
24877 <xml name="autotest_QCExtractor"> | |
24878 </xml> | |
24879 <xml name="autotest_QCImporter"> | |
24880 </xml> | |
24881 <xml name="autotest_QCMerger"> | |
24882 </xml> | |
24883 <xml name="autotest_QCShrinker"> | |
24884 </xml> | |
24885 <xml name="autotest_QualityControl"> | |
24886 <test expect_num_outputs="3"> | |
24887 <conditional name="adv_opts_cond"> | |
24888 <param name="adv_opts_selector" value="advanced"/> | |
24889 <param name="force" value="false"/> | |
24890 <param name="test" value="true"/> | |
24891 </conditional> | |
24892 <param name="in_cm" value="QualityControl_1_in.consensusXML"/> | |
24893 <param name="in_raw" value="QualityControl_1_in1.mzML.gz,QualityControl_1_in2.mzML.gz,QualityControl_1_in3.mzML.gz"/> | |
24894 <param name="in_postFDR" value="QualityControl_1_in1.featureXML,QualityControl_1_in2.featureXML,QualityControl_1_in3.featureXML"/> | |
24895 <output name="out" file="QualityControl_1_out.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
24896 <output name="out_cm" file="QualityControl_1_out.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
24897 <param name="in_contaminants" value="QualityControl_1.fasta"/> | |
24898 <param name="in_trafo" value="QualityControl_1_in1.trafoXML,QualityControl_1_in2.trafoXML,QualityControl_1_in3.trafoXML"/> | |
24899 <section name="FragmentMassError"> | |
24900 <param name="unit" value="auto"/> | |
24901 <param name="tolerance" value="20.0"/> | |
24902 </section> | |
24903 <section name="MS2_id_rate"> | |
24904 <param name="assume_all_target" value="false"/> | |
24905 </section> | |
24906 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_cm_FLAG"/> | |
24907 <output name="ctd_out" ftype="xml"> | |
24908 <assert_contents> | |
24909 <is_valid_xml/> | |
24910 </assert_contents> | |
24911 </output> | |
24912 </test> | |
24913 </xml> | |
24914 <xml name="autotest_RNADigestor"> | |
24915 </xml> | |
24916 <xml name="autotest_RNAMassCalculator"> | |
24917 <test expect_num_outputs="2"> | |
24918 <conditional name="adv_opts_cond"> | |
24919 <param name="adv_opts_selector" value="advanced"/> | |
24920 <param name="force" value="false"/> | |
24921 <param name="test" value="true"/> | |
24922 </conditional> | |
24923 <param name="in_seq" value=""AUCGGC""/> | |
24924 <output name="out" file="RNAMassCalculator_1.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
24925 <param name="charge" value="-1 -2"/> | |
24926 <param name="format" value="list"/> | |
24927 <param name="average_mass" value="false"/> | |
24928 <param name="fragment_type" value="full"/> | |
24929 <param name="separator" value=""/> | |
24930 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24931 <output name="ctd_out" ftype="xml"> | |
24932 <assert_contents> | |
24933 <is_valid_xml/> | |
24934 </assert_contents> | |
24935 </output> | |
24936 </test> | |
24937 </xml> | |
24938 <xml name="autotest_RNPxlSearch"> | |
24939 <test expect_num_outputs="2"> | |
24940 <conditional name="adv_opts_cond"> | |
24941 <param name="adv_opts_selector" value="advanced"/> | |
24942 <param name="force" value="false"/> | |
24943 <param name="test" value="true"/> | |
24944 </conditional> | |
24945 <param name="in" value="RNPxlSearch_1_input.mzML"/> | |
24946 <param name="database" value="RNPxlSearch_1_input.fasta"/> | |
24947 <output name="out" file="RNPxlSearch_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
24948 <section name="precursor"> | |
24949 <param name="mass_tolerance" value="20.0"/> | |
24950 <param name="mass_tolerance_unit" value="ppm"/> | |
24951 <param name="min_charge" value="2"/> | |
24952 <param name="max_charge" value="5"/> | |
24953 <param name="isotopes" value="0 1"/> | |
24954 </section> | |
24955 <section name="fragment"> | |
24956 <param name="mass_tolerance" value="20.0"/> | |
24957 <param name="mass_tolerance_unit" value="ppm"/> | |
24958 </section> | |
24959 <section name="modifications"> | |
24960 <param name="fixed" value=""/> | |
24961 <param name="variable" value="Oxidation (M)"/> | |
24962 <param name="variable_max_per_peptide" value="2"/> | |
24963 </section> | |
24964 <section name="peptide"> | |
24965 <param name="min_size" value="6"/> | |
24966 <param name="max_size" value="1000000"/> | |
24967 <param name="missed_cleavages" value="1"/> | |
24968 <param name="enzyme" value="Trypsin"/> | |
24969 </section> | |
24970 <section name="report"> | |
24971 <param name="top_hits" value="1"/> | |
24972 </section> | |
24973 <section name="RNPxl"> | |
24974 <param name="length" value="2"/> | |
24975 <param name="sequence" value="GUA"/> | |
24976 <param name="target_nucleotides" value=""A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P""/> | |
24977 <param name="nt_groups" value=""/> | |
24978 <param name="mapping" value=""A->A" "C->C" "G->G" "U->U""/> | |
24979 <param name="can_cross_link" value="U"/> | |
24980 <param name="fragment_adducts" value=""U:C9H10N2O5;U-H3PO4" "U:C4H4N2O2;U'" "U:C4H2N2O1;U'-H2O" "U:C3O;C3O" "U:C9H13N2O9P1;U" "U:C9H11N2O8P1;U-H2O" "U:C9H12N2O6;U-HPO3""/> | |
24981 <param name="modifications" value=""U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3""/> | |
24982 <param name="scoring" value="fast"/> | |
24983 <param name="decoys" value="false"/> | |
24984 <param name="CysteineAdduct" value="false"/> | |
24985 <param name="filter_fractional_mass" value="false"/> | |
24986 <param name="carbon_labeled_fragments" value="false"/> | |
24987 <param name="only_xl" value="false"/> | |
24988 <param name="filter_small_peptide_mass" value="600.0"/> | |
24989 <param name="marker_ions_tolerance" value="0.05"/> | |
24990 </section> | |
24991 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24992 <output name="ctd_out" ftype="xml"> | |
24993 <assert_contents> | |
24994 <is_valid_xml/> | |
24995 </assert_contents> | |
24996 </output> | |
24997 </test> | |
24998 <test expect_num_outputs="2"> | |
24999 <conditional name="adv_opts_cond"> | |
25000 <param name="adv_opts_selector" value="advanced"/> | |
25001 <param name="force" value="false"/> | |
25002 <param name="test" value="true"/> | |
25003 </conditional> | |
25004 <param name="in" value="RNPxlSearch_1_input.mzML"/> | |
25005 <param name="database" value="RNPxlSearch_1_input.fasta"/> | |
25006 <output name="out" file="RNPxlSearch_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
25007 <section name="precursor"> | |
25008 <param name="mass_tolerance" value="20.0"/> | |
25009 <param name="mass_tolerance_unit" value="ppm"/> | |
25010 <param name="min_charge" value="2"/> | |
25011 <param name="max_charge" value="5"/> | |
25012 <param name="isotopes" value="0 1"/> | |
25013 </section> | |
25014 <section name="fragment"> | |
25015 <param name="mass_tolerance" value="20.0"/> | |
25016 <param name="mass_tolerance_unit" value="ppm"/> | |
25017 </section> | |
25018 <section name="modifications"> | |
25019 <param name="fixed" value=""/> | |
25020 <param name="variable" value="Oxidation (M)"/> | |
25021 <param name="variable_max_per_peptide" value="2"/> | |
25022 </section> | |
25023 <section name="peptide"> | |
25024 <param name="min_size" value="6"/> | |
25025 <param name="max_size" value="1000000"/> | |
25026 <param name="missed_cleavages" value="1"/> | |
25027 <param name="enzyme" value="Trypsin"/> | |
25028 </section> | |
25029 <section name="report"> | |
25030 <param name="top_hits" value="1"/> | |
25031 </section> | |
25032 <section name="RNPxl"> | |
25033 <param name="length" value="2"/> | |
25034 <param name="sequence" value="GUA"/> | |
25035 <param name="target_nucleotides" value=""A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P""/> | |
25036 <param name="nt_groups" value=""/> | |
25037 <param name="mapping" value=""A->A" "C->C" "G->G" "U->U""/> | |
25038 <param name="can_cross_link" value="U"/> | |
25039 <param name="fragment_adducts" value=""U:C9H10N2O5;U-H3PO4" "U:C4H4N2O2;U'" "U:C4H2N2O1;U'-H2O" "U:C3O;C3O" "U:C9H13N2O9P1;U" "U:C9H11N2O8P1;U-H2O" "U:C9H12N2O6;U-HPO3""/> | |
25040 <param name="modifications" value=""U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3""/> | |
25041 <param name="scoring" value="fast"/> | |
25042 <param name="decoys" value="true"/> | |
25043 <param name="CysteineAdduct" value="false"/> | |
25044 <param name="filter_fractional_mass" value="false"/> | |
25045 <param name="carbon_labeled_fragments" value="false"/> | |
25046 <param name="only_xl" value="false"/> | |
25047 <param name="filter_small_peptide_mass" value="600.0"/> | |
25048 <param name="marker_ions_tolerance" value="0.05"/> | |
25049 </section> | |
25050 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25051 <output name="ctd_out" ftype="xml"> | |
25052 <assert_contents> | |
25053 <is_valid_xml/> | |
25054 </assert_contents> | |
25055 </output> | |
25056 </test> | |
25057 <test expect_num_outputs="3"> | |
25058 <conditional name="adv_opts_cond"> | |
25059 <param name="adv_opts_selector" value="advanced"/> | |
25060 <param name="force" value="false"/> | |
25061 <param name="test" value="true"/> | |
25062 </conditional> | |
25063 <param name="in" value="RNPxlSearch_1_input.mzML"/> | |
25064 <param name="database" value="RNPxlSearch_1_input.fasta"/> | |
25065 <output name="out" file="RNPxlSearch_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
25066 <output name="out_tsv" file="RNPxlSearch_3_output2.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
25067 <section name="precursor"> | |
25068 <param name="mass_tolerance" value="10.0"/> | |
25069 <param name="mass_tolerance_unit" value="ppm"/> | |
25070 <param name="min_charge" value="2"/> | |
25071 <param name="max_charge" value="5"/> | |
25072 <param name="isotopes" value="0 1"/> | |
25073 </section> | |
25074 <section name="fragment"> | |
25075 <param name="mass_tolerance" value="10.0"/> | |
25076 <param name="mass_tolerance_unit" value="ppm"/> | |
25077 </section> | |
25078 <section name="modifications"> | |
25079 <param name="fixed" value=""/> | |
25080 <param name="variable" value=""/> | |
25081 <param name="variable_max_per_peptide" value="2"/> | |
25082 </section> | |
25083 <section name="peptide"> | |
25084 <param name="min_size" value="6"/> | |
25085 <param name="max_size" value="1000000"/> | |
25086 <param name="missed_cleavages" value="1"/> | |
25087 <param name="enzyme" value="Trypsin"/> | |
25088 </section> | |
25089 <section name="report"> | |
25090 <param name="top_hits" value="3"/> | |
25091 </section> | |
25092 <section name="RNPxl"> | |
25093 <param name="length" value="2"/> | |
25094 <param name="sequence" value=""/> | |
25095 <param name="target_nucleotides" value=""A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P""/> | |
25096 <param name="nt_groups" value=""/> | |
25097 <param name="mapping" value=""A->A" "C->C" "G->G" "U->U""/> | |
25098 <param name="can_cross_link" value="U"/> | |
25099 <param name="fragment_adducts" value=""U:C9H10N2O5;U-H3PO4" "U:C4H4N2O2;U'" "U:C4H2N2O1;U'-H2O" "U:C3O;C3O" "U:C9H13N2O9P1;U" "U:C9H11N2O8P1;U-H2O" "U:C9H12N2O6;U-HPO3""/> | |
25100 <param name="modifications" value=""U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3""/> | |
25101 <param name="scoring" value="fast"/> | |
25102 <param name="decoys" value="false"/> | |
25103 <param name="CysteineAdduct" value="false"/> | |
25104 <param name="filter_fractional_mass" value="false"/> | |
25105 <param name="carbon_labeled_fragments" value="false"/> | |
25106 <param name="only_xl" value="false"/> | |
25107 <param name="filter_small_peptide_mass" value="600.0"/> | |
25108 <param name="marker_ions_tolerance" value="0.05"/> | |
25109 </section> | |
25110 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_tsv_FLAG"/> | |
25111 <output name="ctd_out" ftype="xml"> | |
25112 <assert_contents> | |
25113 <is_valid_xml/> | |
25114 </assert_contents> | |
25115 </output> | |
25116 </test> | |
25117 <test expect_num_outputs="3"> | |
25118 <conditional name="adv_opts_cond"> | |
25119 <param name="adv_opts_selector" value="advanced"/> | |
25120 <param name="force" value="false"/> | |
25121 <param name="test" value="true"/> | |
25122 </conditional> | |
25123 <param name="in" value="RNPxlSearch_1_input.mzML"/> | |
25124 <param name="database" value="RNPxlSearch_1_input.fasta"/> | |
25125 <output name="out" file="RNPxlSearch_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
25126 <output name="out_tsv" file="RNPxlSearch_4_output2.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
25127 <section name="precursor"> | |
25128 <param name="mass_tolerance" value="10.0"/> | |
25129 <param name="mass_tolerance_unit" value="ppm"/> | |
25130 <param name="min_charge" value="2"/> | |
25131 <param name="max_charge" value="5"/> | |
25132 <param name="isotopes" value="0 1"/> | |
25133 </section> | |
25134 <section name="fragment"> | |
25135 <param name="mass_tolerance" value="10.0"/> | |
25136 <param name="mass_tolerance_unit" value="ppm"/> | |
25137 </section> | |
25138 <section name="modifications"> | |
25139 <param name="fixed" value=""/> | |
25140 <param name="variable" value=""/> | |
25141 <param name="variable_max_per_peptide" value="2"/> | |
25142 </section> | |
25143 <section name="peptide"> | |
25144 <param name="min_size" value="6"/> | |
25145 <param name="max_size" value="1000000"/> | |
25146 <param name="missed_cleavages" value="1"/> | |
25147 <param name="enzyme" value="Trypsin"/> | |
25148 </section> | |
25149 <section name="report"> | |
25150 <param name="top_hits" value="2"/> | |
25151 </section> | |
25152 <section name="RNPxl"> | |
25153 <param name="length" value="2"/> | |
25154 <param name="sequence" value=""/> | |
25155 <param name="target_nucleotides" value=""A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P""/> | |
25156 <param name="nt_groups" value=""/> | |
25157 <param name="mapping" value=""A->A" "C->C" "G->G" "U->U""/> | |
25158 <param name="can_cross_link" value="U"/> | |
25159 <param name="fragment_adducts" value=""U:C9H10N2O5;U-H3PO4" "U:C4H4N2O2;U'" "U:C4H2N2O1;U'-H2O" "U:C3O;C3O" "U:C9H13N2O9P1;U" "U:C9H11N2O8P1;U-H2O" "U:C9H12N2O6;U-HPO3""/> | |
25160 <param name="modifications" value=""U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3""/> | |
25161 <param name="scoring" value="fast"/> | |
25162 <param name="decoys" value="true"/> | |
25163 <param name="CysteineAdduct" value="false"/> | |
25164 <param name="filter_fractional_mass" value="false"/> | |
25165 <param name="carbon_labeled_fragments" value="false"/> | |
25166 <param name="only_xl" value="false"/> | |
25167 <param name="filter_small_peptide_mass" value="600.0"/> | |
25168 <param name="marker_ions_tolerance" value="0.05"/> | |
25169 </section> | |
25170 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_tsv_FLAG"/> | |
25171 <output name="ctd_out" ftype="xml"> | |
25172 <assert_contents> | |
25173 <is_valid_xml/> | |
25174 </assert_contents> | |
25175 </output> | |
25176 </test> | |
25177 </xml> | |
25178 <xml name="autotest_RNPxlXICFilter"> | |
25179 </xml> | |
25180 <xml name="autotest_RTEvaluation"> | |
25181 </xml> | |
25182 <xml name="autotest_RTModel"> | |
25183 <test expect_num_outputs="2"> | |
25184 <conditional name="adv_opts_cond"> | |
25185 <param name="adv_opts_selector" value="advanced"/> | |
25186 <param name="force" value="false"/> | |
25187 <param name="test" value="true"/> | |
25188 </conditional> | |
25189 <param name="in" value="RTModel_1_input.idXML"/> | |
25190 <output name="out" file="RTModel_1_output.model" compare="sim_size" delta="5700" ftype="txt"/> | |
25191 <param name="svm_type" value="NU_SVR"/> | |
25192 <param name="nu" value="0.5"/> | |
25193 <param name="p" value="0.1"/> | |
25194 <param name="c" value="0.1"/> | |
25195 <param name="kernel_type" value="POLY"/> | |
25196 <param name="degree" value="1"/> | |
25197 <param name="border_length" value="22"/> | |
25198 <param name="max_std" value="10.0"/> | |
25199 <param name="k_mer_length" value="1"/> | |
25200 <param name="sigma" value="5.0"/> | |
25201 <param name="total_gradient_time" value="3000.0"/> | |
25202 <param name="first_dim_rt" value="false"/> | |
25203 <param name="additive_cv" value="false"/> | |
25204 <section name="cv"> | |
25205 <param name="skip_cv" value="true"/> | |
25206 <param name="number_of_runs" value="10"/> | |
25207 <param name="number_of_partitions" value="10"/> | |
25208 <param name="degree_start" value="1"/> | |
25209 <param name="degree_step_size" value="2"/> | |
25210 <param name="degree_stop" value="4"/> | |
25211 <param name="p_start" value="1.0"/> | |
25212 <param name="p_step_size" value="10.0"/> | |
25213 <param name="p_stop" value="1000.0"/> | |
25214 <param name="c_start" value="1.0"/> | |
25215 <param name="c_step_size" value="10.0"/> | |
25216 <param name="c_stop" value="1000.0"/> | |
25217 <param name="nu_start" value="0.3"/> | |
25218 <param name="nu_step_size" value="1.2"/> | |
25219 <param name="nu_stop" value="0.7"/> | |
25220 <param name="sigma_start" value="1.0"/> | |
25221 <param name="sigma_step_size" value="1.3"/> | |
25222 <param name="sigma_stop" value="15.0"/> | |
25223 </section> | |
25224 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25225 <output name="ctd_out" ftype="xml"> | |
25226 <assert_contents> | |
25227 <is_valid_xml/> | |
25228 </assert_contents> | |
25229 </output> | |
25230 </test> | |
25231 <test expect_num_outputs="2"> | |
25232 <conditional name="adv_opts_cond"> | |
25233 <param name="adv_opts_selector" value="advanced"/> | |
25234 <param name="force" value="false"/> | |
25235 <param name="test" value="true"/> | |
25236 </conditional> | |
25237 <param name="in_positive" value="RTModel_2_input_positive.idXML"/> | |
25238 <param name="in_negative" value="RTModel_2_input_negative.idXML"/> | |
25239 <output name="out" file="RTModel_2_output.tmp" compare="sim_size" delta="5700" ftype="txt"/> | |
25240 <param name="svm_type" value="NU_SVR"/> | |
25241 <param name="nu" value="0.5"/> | |
25242 <param name="p" value="0.1"/> | |
25243 <param name="c" value="0.5"/> | |
25244 <param name="kernel_type" value="OLIGO"/> | |
25245 <param name="degree" value="1"/> | |
25246 <param name="border_length" value="22"/> | |
25247 <param name="max_std" value="10.0"/> | |
25248 <param name="k_mer_length" value="1"/> | |
25249 <param name="sigma" value="5.0"/> | |
25250 <param name="total_gradient_time" value="1.0"/> | |
25251 <param name="first_dim_rt" value="false"/> | |
25252 <param name="additive_cv" value="false"/> | |
25253 <section name="cv"> | |
25254 <param name="skip_cv" value="true"/> | |
25255 <param name="number_of_runs" value="10"/> | |
25256 <param name="number_of_partitions" value="10"/> | |
25257 <param name="degree_start" value="1"/> | |
25258 <param name="degree_step_size" value="2"/> | |
25259 <param name="degree_stop" value="4"/> | |
25260 <param name="p_start" value="1.0"/> | |
25261 <param name="p_step_size" value="10.0"/> | |
25262 <param name="p_stop" value="1000.0"/> | |
25263 <param name="c_start" value="1.0"/> | |
25264 <param name="c_step_size" value="10.0"/> | |
25265 <param name="c_stop" value="1000.0"/> | |
25266 <param name="nu_start" value="0.3"/> | |
25267 <param name="nu_step_size" value="1.2"/> | |
25268 <param name="nu_stop" value="0.7"/> | |
25269 <param name="sigma_start" value="1.0"/> | |
25270 <param name="sigma_step_size" value="1.3"/> | |
25271 <param name="sigma_stop" value="15.0"/> | |
25272 </section> | |
25273 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25274 <output name="ctd_out" ftype="xml"> | |
25275 <assert_contents> | |
25276 <is_valid_xml/> | |
25277 </assert_contents> | |
25278 </output> | |
25279 </test> | |
25280 <test expect_num_outputs="2"> | |
25281 <conditional name="adv_opts_cond"> | |
25282 <param name="adv_opts_selector" value="advanced"/> | |
25283 <param name="force" value="false"/> | |
25284 <param name="test" value="true"/> | |
25285 </conditional> | |
25286 <param name="in" value="RTModel_3_input.idXML"/> | |
25287 <output name="out" file="RTModel_3_output.tmp" compare="sim_size" delta="5700" ftype="txt"/> | |
25288 <param name="svm_type" value="NU_SVR"/> | |
25289 <param name="nu" value="0.5"/> | |
25290 <param name="p" value="0.1"/> | |
25291 <param name="c" value="0.001953125"/> | |
25292 <param name="kernel_type" value="OLIGO"/> | |
25293 <param name="degree" value="1"/> | |
25294 <param name="border_length" value="22"/> | |
25295 <param name="max_std" value="10.0"/> | |
25296 <param name="k_mer_length" value="1"/> | |
25297 <param name="sigma" value="1.0"/> | |
25298 <param name="total_gradient_time" value="1.0"/> | |
25299 <param name="first_dim_rt" value="false"/> | |
25300 <param name="additive_cv" value="false"/> | |
25301 <section name="cv"> | |
25302 <param name="skip_cv" value="false"/> | |
25303 <param name="number_of_runs" value="1"/> | |
25304 <param name="number_of_partitions" value="5"/> | |
25305 <param name="degree_start" value="1"/> | |
25306 <param name="degree_step_size" value="2"/> | |
25307 <param name="degree_stop" value="4"/> | |
25308 <param name="p_start" value="1.0"/> | |
25309 <param name="p_step_size" value="10.0"/> | |
25310 <param name="p_stop" value="1000.0"/> | |
25311 <param name="c_start" value="0.001953125"/> | |
25312 <param name="c_step_size" value="2.0"/> | |
25313 <param name="c_stop" value="0.001953125"/> | |
25314 <param name="nu_start" value="0.4"/> | |
25315 <param name="nu_step_size" value="1.2"/> | |
25316 <param name="nu_stop" value="0.4"/> | |
25317 <param name="sigma_start" value="5.0"/> | |
25318 <param name="sigma_step_size" value="1.221055"/> | |
25319 <param name="sigma_stop" value="5.0"/> | |
25320 </section> | |
25321 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25322 <output name="ctd_out" ftype="xml"> | |
25323 <assert_contents> | |
25324 <is_valid_xml/> | |
25325 </assert_contents> | |
25326 </output> | |
25327 </test> | |
25328 <test expect_num_outputs="2"> | |
25329 <conditional name="adv_opts_cond"> | |
25330 <param name="adv_opts_selector" value="advanced"/> | |
25331 <param name="force" value="false"/> | |
25332 <param name="test" value="true"/> | |
25333 </conditional> | |
25334 <param name="in" value="RTModel_4_input.txt" ftype="txt"/> | |
25335 <output name="out" file="RTModel_4_output.tmp" compare="sim_size" delta="5700" ftype="txt"/> | |
25336 <param name="svm_type" value="NU_SVR"/> | |
25337 <param name="nu" value="0.5"/> | |
25338 <param name="p" value="0.1"/> | |
25339 <param name="c" value="0.001953125"/> | |
25340 <param name="kernel_type" value="OLIGO"/> | |
25341 <param name="degree" value="1"/> | |
25342 <param name="border_length" value="22"/> | |
25343 <param name="max_std" value="10.0"/> | |
25344 <param name="k_mer_length" value="1"/> | |
25345 <param name="sigma" value="1.0"/> | |
25346 <param name="total_gradient_time" value="1.0"/> | |
25347 <param name="first_dim_rt" value="false"/> | |
25348 <param name="additive_cv" value="false"/> | |
25349 <section name="cv"> | |
25350 <param name="skip_cv" value="false"/> | |
25351 <param name="number_of_runs" value="1"/> | |
25352 <param name="number_of_partitions" value="5"/> | |
25353 <param name="degree_start" value="1"/> | |
25354 <param name="degree_step_size" value="2"/> | |
25355 <param name="degree_stop" value="4"/> | |
25356 <param name="p_start" value="1.0"/> | |
25357 <param name="p_step_size" value="10.0"/> | |
25358 <param name="p_stop" value="1000.0"/> | |
25359 <param name="c_start" value="0.001953125"/> | |
25360 <param name="c_step_size" value="2.0"/> | |
25361 <param name="c_stop" value="0.001953125"/> | |
25362 <param name="nu_start" value="0.4"/> | |
25363 <param name="nu_step_size" value="1.2"/> | |
25364 <param name="nu_stop" value="0.4"/> | |
25365 <param name="sigma_start" value="5.0"/> | |
25366 <param name="sigma_step_size" value="1.221055"/> | |
25367 <param name="sigma_stop" value="5.0"/> | |
25368 </section> | |
25369 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25370 <output name="ctd_out" ftype="xml"> | |
25371 <assert_contents> | |
25372 <is_valid_xml/> | |
25373 </assert_contents> | |
25374 </output> | |
25375 </test> | |
25376 </xml> | |
25377 <xml name="autotest_SeedListGenerator"> | |
25378 <test expect_num_outputs="2"> | |
25379 <conditional name="adv_opts_cond"> | |
25380 <param name="adv_opts_selector" value="advanced"/> | |
25381 <param name="force" value="false"/> | |
25382 <param name="test" value="true"/> | |
25383 </conditional> | |
25384 <param name="in" value="PepXMLFile_test.mzML"/> | |
25385 <output name="out" file="SeedListGenerator_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
25386 <param name="use_peptide_mass" value="false"/> | |
25387 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25388 <output name="ctd_out" ftype="xml"> | |
25389 <assert_contents> | |
25390 <is_valid_xml/> | |
25391 </assert_contents> | |
25392 </output> | |
25393 </test> | |
25394 <test expect_num_outputs="2"> | |
25395 <conditional name="adv_opts_cond"> | |
25396 <param name="adv_opts_selector" value="advanced"/> | |
25397 <param name="force" value="false"/> | |
25398 <param name="test" value="true"/> | |
25399 </conditional> | |
25400 <param name="in" value="IDMapper_1_output.featureXML"/> | |
25401 <output name="out" file="SeedListGenerator_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
25402 <param name="use_peptide_mass" value="false"/> | |
25403 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25404 <output name="ctd_out" ftype="xml"> | |
25405 <assert_contents> | |
25406 <is_valid_xml/> | |
25407 </assert_contents> | |
25408 </output> | |
25409 </test> | |
25410 </xml> | |
25411 <xml name="autotest_SemanticValidator"> | |
25412 </xml> | |
25413 <xml name="autotest_SequenceCoverageCalculator"> | |
25414 </xml> | |
25415 <xml name="autotest_SimpleSearchEngine"> | |
25416 <test expect_num_outputs="2"> | |
25417 <conditional name="adv_opts_cond"> | |
25418 <param name="adv_opts_selector" value="advanced"/> | |
25419 <param name="force" value="false"/> | |
25420 <param name="test" value="true"/> | |
25421 </conditional> | |
25422 <param name="in" value="SimpleSearchEngine_1.mzML"/> | |
25423 <param name="database" value="SimpleSearchEngine_1.fasta"/> | |
25424 <output name="out" file="SimpleSearchEngine_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
25425 <section name="Search"> | |
25426 <param name="enzyme" value="Trypsin"/> | |
25427 <param name="decoys" value="false"/> | |
25428 <section name="precursor"> | |
25429 <param name="mass_tolerance" value="5.0"/> | |
25430 <param name="mass_tolerance_unit" value="ppm"/> | |
25431 <param name="min_charge" value="2"/> | |
25432 <param name="max_charge" value="5"/> | |
25433 <param name="isotopes" value="0 1"/> | |
25434 </section> | |
25435 <section name="fragment"> | |
25436 <param name="mass_tolerance" value="0.3"/> | |
25437 <param name="mass_tolerance_unit" value="Da"/> | |
25438 </section> | |
25439 <section name="modifications"> | |
25440 <param name="fixed" value=""/> | |
25441 <param name="variable" value="Oxidation (M)"/> | |
25442 <param name="variable_max_per_peptide" value="2"/> | |
25443 </section> | |
25444 <section name="annotate"> | |
25445 <param name="PSM" value=""/> | |
25446 </section> | |
25447 <section name="peptide"> | |
25448 <param name="min_size" value="7"/> | |
25449 <param name="max_size" value="40"/> | |
25450 <param name="missed_cleavages" value="1"/> | |
25451 <param name="motif" value=""/> | |
25452 </section> | |
25453 <section name="report"> | |
25454 <param name="top_hits" value="1"/> | |
25455 </section> | |
25456 </section> | |
25457 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25458 <output name="ctd_out" ftype="xml"> | |
25459 <assert_contents> | |
25460 <is_valid_xml/> | |
25461 </assert_contents> | |
25462 </output> | |
25463 </test> | |
25464 </xml> | |
25465 <xml name="autotest_SiriusAdapter"> | |
25466 <test expect_num_outputs="2"> | |
25467 <conditional name="adv_opts_cond"> | |
25468 <param name="adv_opts_selector" value="advanced"/> | |
25469 <param name="converter_mode" value="false"/> | |
25470 <param name="force" value="false"/> | |
25471 <param name="test" value="true"/> | |
25472 </conditional> | |
25473 <param name="in" value="SiriusAdapter_1_input.mzML"/> | |
25474 <output name="out_sirius" file="SiriusAdapter_1_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
25475 <param name="out_workspace_directory" value=""/> | |
25476 <section name="preprocessing"> | |
25477 <param name="filter_by_num_masstraces" value="1"/> | |
25478 <param name="precursor_mz_tolerance" value="0.005"/> | |
25479 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
25480 <param name="precursor_rt_tolerance" value="5"/> | |
25481 <param name="isotope_pattern_iterations" value="3"/> | |
25482 <param name="feature_only" value="false"/> | |
25483 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
25484 </section> | |
25485 <section name="sirius"> | |
25486 <param name="profile" value="qtof"/> | |
25487 <param name="candidates" value="5"/> | |
25488 <param name="database" value="all"/> | |
25489 <param name="noise" value="0"/> | |
25490 <param name="ppm_max" value="10"/> | |
25491 <param name="isotope" value="both"/> | |
25492 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
25493 <param name="compound_timeout" value="10"/> | |
25494 <param name="tree_timeout" value="0"/> | |
25495 <param name="top_n_hits" value="10"/> | |
25496 <param name="auto_charge" value="true"/> | |
25497 <param name="ion_tree" value="false"/> | |
25498 <param name="no_recalibration" value="false"/> | |
25499 <param name="most_intense_ms2" value="false"/> | |
25500 </section> | |
25501 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG"/> | |
25502 <output name="ctd_out" ftype="xml"> | |
25503 <assert_contents> | |
25504 <is_valid_xml/> | |
25505 </assert_contents> | |
25506 </output> | |
25507 </test> | |
25508 <test expect_num_outputs="2"> | |
25509 <conditional name="adv_opts_cond"> | |
25510 <param name="adv_opts_selector" value="advanced"/> | |
25511 <param name="converter_mode" value="false"/> | |
25512 <param name="force" value="false"/> | |
25513 <param name="test" value="true"/> | |
25514 </conditional> | |
25515 <param name="in" value="SiriusAdapter_2_input.mzML"/> | |
25516 <param name="in_featureinfo" value="SiriusAdapter_2_input.featureXML"/> | |
25517 <output name="out_sirius" file="SiriusAdapter_2_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
25518 <param name="out_workspace_directory" value=""/> | |
25519 <section name="preprocessing"> | |
25520 <param name="filter_by_num_masstraces" value="3"/> | |
25521 <param name="precursor_mz_tolerance" value="0.005"/> | |
25522 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
25523 <param name="precursor_rt_tolerance" value="5"/> | |
25524 <param name="isotope_pattern_iterations" value="3"/> | |
25525 <param name="feature_only" value="true"/> | |
25526 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
25527 </section> | |
25528 <section name="sirius"> | |
25529 <param name="profile" value="qtof"/> | |
25530 <param name="candidates" value="5"/> | |
25531 <param name="database" value="all"/> | |
25532 <param name="noise" value="0"/> | |
25533 <param name="ppm_max" value="10"/> | |
25534 <param name="isotope" value="both"/> | |
25535 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
25536 <param name="compound_timeout" value="10"/> | |
25537 <param name="tree_timeout" value="0"/> | |
25538 <param name="top_n_hits" value="10"/> | |
25539 <param name="auto_charge" value="true"/> | |
25540 <param name="ion_tree" value="false"/> | |
25541 <param name="no_recalibration" value="false"/> | |
25542 <param name="most_intense_ms2" value="false"/> | |
25543 </section> | |
25544 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG"/> | |
25545 <output name="ctd_out" ftype="xml"> | |
25546 <assert_contents> | |
25547 <is_valid_xml/> | |
25548 </assert_contents> | |
25549 </output> | |
25550 </test> | |
25551 <test expect_num_outputs="2"> | |
25552 <conditional name="adv_opts_cond"> | |
25553 <param name="adv_opts_selector" value="advanced"/> | |
25554 <param name="converter_mode" value="false"/> | |
25555 <param name="force" value="false"/> | |
25556 <param name="test" value="true"/> | |
25557 </conditional> | |
25558 <param name="in" value="SiriusAdapter_3_input.mzML"/> | |
25559 <param name="in_featureinfo" value="SiriusAdapter_3_input.featureXML"/> | |
25560 <output name="out_sirius" file="SiriusAdapter_3_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
25561 <param name="out_workspace_directory" value=""/> | |
25562 <section name="preprocessing"> | |
25563 <param name="filter_by_num_masstraces" value="3"/> | |
25564 <param name="precursor_mz_tolerance" value="0.005"/> | |
25565 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
25566 <param name="precursor_rt_tolerance" value="5"/> | |
25567 <param name="isotope_pattern_iterations" value="3"/> | |
25568 <param name="feature_only" value="false"/> | |
25569 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
25570 </section> | |
25571 <section name="sirius"> | |
25572 <param name="profile" value="qtof"/> | |
25573 <param name="candidates" value="5"/> | |
25574 <param name="database" value="all"/> | |
25575 <param name="noise" value="0"/> | |
25576 <param name="ppm_max" value="10"/> | |
25577 <param name="isotope" value="both"/> | |
25578 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
25579 <param name="compound_timeout" value="10"/> | |
25580 <param name="tree_timeout" value="0"/> | |
25581 <param name="top_n_hits" value="10"/> | |
25582 <param name="auto_charge" value="true"/> | |
25583 <param name="ion_tree" value="false"/> | |
25584 <param name="no_recalibration" value="false"/> | |
25585 <param name="most_intense_ms2" value="false"/> | |
25586 </section> | |
25587 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG"/> | |
25588 <output name="ctd_out" ftype="xml"> | |
25589 <assert_contents> | |
25590 <is_valid_xml/> | |
25591 </assert_contents> | |
25592 </output> | |
25593 </test> | |
25594 <test expect_num_outputs="2"> | |
25595 <conditional name="adv_opts_cond"> | |
25596 <param name="adv_opts_selector" value="advanced"/> | |
25597 <param name="converter_mode" value="true"/> | |
25598 <param name="force" value="false"/> | |
25599 <param name="test" value="true"/> | |
25600 </conditional> | |
25601 <param name="in" value="SiriusAdapter_3_input.mzML"/> | |
25602 <param name="in_featureinfo" value="SiriusAdapter_3_input.featureXML"/> | |
25603 <output name="out_ms" file="SiriusAdapter_5_output.ms" compare="sim_size" delta="5700" ftype="sirius.ms"/> | |
25604 <param name="out_workspace_directory" value=""/> | |
25605 <section name="preprocessing"> | |
25606 <param name="filter_by_num_masstraces" value="1"/> | |
25607 <param name="precursor_mz_tolerance" value="0.005"/> | |
25608 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
25609 <param name="precursor_rt_tolerance" value="5"/> | |
25610 <param name="isotope_pattern_iterations" value="3"/> | |
25611 <param name="feature_only" value="false"/> | |
25612 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
25613 </section> | |
25614 <section name="sirius"> | |
25615 <param name="profile" value="qtof"/> | |
25616 <param name="candidates" value="5"/> | |
25617 <param name="database" value="all"/> | |
25618 <param name="noise" value="0"/> | |
25619 <param name="ppm_max" value="10"/> | |
25620 <param name="isotope" value="both"/> | |
25621 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
25622 <param name="compound_timeout" value="10"/> | |
25623 <param name="tree_timeout" value="0"/> | |
25624 <param name="top_n_hits" value="10"/> | |
25625 <param name="auto_charge" value="false"/> | |
25626 <param name="ion_tree" value="false"/> | |
25627 <param name="no_recalibration" value="false"/> | |
25628 <param name="most_intense_ms2" value="false"/> | |
25629 </section> | |
25630 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_ms_FLAG"/> | |
25631 <output name="ctd_out" ftype="xml"> | |
25632 <assert_contents> | |
25633 <is_valid_xml/> | |
25634 </assert_contents> | |
25635 </output> | |
25636 </test> | |
25637 <test expect_num_outputs="2"> | |
25638 <conditional name="adv_opts_cond"> | |
25639 <param name="adv_opts_selector" value="advanced"/> | |
25640 <param name="converter_mode" value="true"/> | |
25641 <param name="force" value="false"/> | |
25642 <param name="test" value="true"/> | |
25643 </conditional> | |
25644 <param name="in" value="SiriusAdapter_4_input.mzML"/> | |
25645 <param name="in_featureinfo" value="SiriusAdapter_4_input.featureXML"/> | |
25646 <output name="out_ms" file="SiriusAdapter_6_output.ms" compare="sim_size" delta="5700" ftype="sirius.ms"/> | |
25647 <param name="out_workspace_directory" value=""/> | |
25648 <section name="preprocessing"> | |
25649 <param name="filter_by_num_masstraces" value="1"/> | |
25650 <param name="precursor_mz_tolerance" value="0.005"/> | |
25651 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
25652 <param name="precursor_rt_tolerance" value="5"/> | |
25653 <param name="isotope_pattern_iterations" value="3"/> | |
25654 <param name="feature_only" value="false"/> | |
25655 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
25656 </section> | |
25657 <section name="sirius"> | |
25658 <param name="profile" value="qtof"/> | |
25659 <param name="candidates" value="5"/> | |
25660 <param name="database" value="all"/> | |
25661 <param name="noise" value="0"/> | |
25662 <param name="ppm_max" value="10"/> | |
25663 <param name="isotope" value="both"/> | |
25664 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
25665 <param name="compound_timeout" value="10"/> | |
25666 <param name="tree_timeout" value="0"/> | |
25667 <param name="top_n_hits" value="10"/> | |
25668 <param name="auto_charge" value="false"/> | |
25669 <param name="ion_tree" value="false"/> | |
25670 <param name="no_recalibration" value="false"/> | |
25671 <param name="most_intense_ms2" value="false"/> | |
25672 </section> | |
25673 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_ms_FLAG"/> | |
25674 <output name="ctd_out" ftype="xml"> | |
25675 <assert_contents> | |
25676 <is_valid_xml/> | |
25677 </assert_contents> | |
25678 </output> | |
25679 </test> | |
25680 <test expect_num_outputs="2"> | |
25681 <conditional name="adv_opts_cond"> | |
25682 <param name="adv_opts_selector" value="advanced"/> | |
25683 <param name="converter_mode" value="false"/> | |
25684 <param name="force" value="false"/> | |
25685 <param name="test" value="true"/> | |
25686 </conditional> | |
25687 <param name="in" value="SiriusAdapter_4_input.mzML"/> | |
25688 <param name="in_featureinfo" value="SiriusAdapter_4_input.featureXML"/> | |
25689 <output name="out_sirius" file="SiriusAdapter_7_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
25690 <param name="out_workspace_directory" value=""/> | |
25691 <section name="preprocessing"> | |
25692 <param name="filter_by_num_masstraces" value="1"/> | |
25693 <param name="precursor_mz_tolerance" value="0.005"/> | |
25694 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
25695 <param name="precursor_rt_tolerance" value="5"/> | |
25696 <param name="isotope_pattern_iterations" value="3"/> | |
25697 <param name="feature_only" value="true"/> | |
25698 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
25699 </section> | |
25700 <section name="sirius"> | |
25701 <param name="profile" value="qtof"/> | |
25702 <param name="candidates" value="5"/> | |
25703 <param name="database" value="all"/> | |
25704 <param name="noise" value="0"/> | |
25705 <param name="ppm_max" value="10"/> | |
25706 <param name="isotope" value="both"/> | |
25707 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
25708 <param name="compound_timeout" value="10"/> | |
25709 <param name="tree_timeout" value="0"/> | |
25710 <param name="top_n_hits" value="10"/> | |
25711 <param name="auto_charge" value="false"/> | |
25712 <param name="ion_tree" value="false"/> | |
25713 <param name="no_recalibration" value="false"/> | |
25714 <param name="most_intense_ms2" value="false"/> | |
25715 </section> | |
25716 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG"/> | |
25717 <output name="ctd_out" ftype="xml"> | |
25718 <assert_contents> | |
25719 <is_valid_xml/> | |
25720 </assert_contents> | |
25721 </output> | |
25722 </test> | |
25723 <test expect_num_outputs="3"> | |
25724 <conditional name="adv_opts_cond"> | |
25725 <param name="adv_opts_selector" value="advanced"/> | |
25726 <param name="converter_mode" value="false"/> | |
25727 <param name="force" value="false"/> | |
25728 <param name="test" value="true"/> | |
25729 </conditional> | |
25730 <param name="in" value="SiriusAdapter_2_input.mzML"/> | |
25731 <param name="in_featureinfo" value="SiriusAdapter_2_input.featureXML"/> | |
25732 <output name="out_sirius" file="SiriusAdapter_4_output.tmp" compare="sim_size" delta="5700" ftype="mztab"/> | |
25733 <output name="out_fingerid" file="SiriusAdapter_4_foutput.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
25734 <param name="out_workspace_directory" value=""/> | |
25735 <section name="preprocessing"> | |
25736 <param name="filter_by_num_masstraces" value="1"/> | |
25737 <param name="precursor_mz_tolerance" value="0.005"/> | |
25738 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
25739 <param name="precursor_rt_tolerance" value="5"/> | |
25740 <param name="isotope_pattern_iterations" value="3"/> | |
25741 <param name="feature_only" value="false"/> | |
25742 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
25743 </section> | |
25744 <section name="sirius"> | |
25745 <param name="profile" value="qtof"/> | |
25746 <param name="candidates" value="5"/> | |
25747 <param name="database" value="pubchem"/> | |
25748 <param name="noise" value="0"/> | |
25749 <param name="ppm_max" value="10"/> | |
25750 <param name="isotope" value="both"/> | |
25751 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
25752 <param name="compound_timeout" value="10"/> | |
25753 <param name="tree_timeout" value="0"/> | |
25754 <param name="top_n_hits" value="10"/> | |
25755 <param name="auto_charge" value="true"/> | |
25756 <param name="ion_tree" value="false"/> | |
25757 <param name="no_recalibration" value="false"/> | |
25758 <param name="most_intense_ms2" value="false"/> | |
25759 </section> | |
25760 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG,out_fingerid_FLAG"/> | |
25761 <output name="ctd_out" ftype="xml"> | |
25762 <assert_contents> | |
25763 <is_valid_xml/> | |
25764 </assert_contents> | |
25765 </output> | |
25766 </test> | |
25767 </xml> | |
25768 <xml name="autotest_SpecLibCreator"> | |
25769 </xml> | |
25770 <xml name="autotest_SpecLibSearcher"> | |
25771 <test expect_num_outputs="2"> | |
25772 <conditional name="adv_opts_cond"> | |
25773 <param name="adv_opts_selector" value="advanced"/> | |
25774 <param name="force" value="false"/> | |
25775 <param name="test" value="true"/> | |
25776 </conditional> | |
25777 <param name="in" value="SpecLibSearcher_1.mzML"/> | |
25778 <param name="lib" value="SpecLibSearcher_1.MSP"/> | |
25779 <output_collection name="out" count="1"/> | |
25780 <param name="compare_function" value="ZhangSimilarityScore"/> | |
25781 <section name="precursor"> | |
25782 <param name="mass_tolerance" value="3.0"/> | |
25783 <param name="mass_tolerance_unit" value="Da"/> | |
25784 <param name="min_charge" value="1"/> | |
25785 <param name="max_charge" value="5"/> | |
25786 <param name="isotopes" value="0 1"/> | |
25787 </section> | |
25788 <section name="fragment"> | |
25789 <param name="mass_tolerance" value="10.0"/> | |
25790 </section> | |
25791 <section name="report"> | |
25792 <param name="top_hits" value="10"/> | |
25793 </section> | |
25794 <section name="filter"> | |
25795 <param name="remove_peaks_below_threshold" value="2.01"/> | |
25796 <param name="min_peaks" value="5"/> | |
25797 <param name="max_peaks" value="150"/> | |
25798 <param name="cut_peaks_below" value="1000"/> | |
25799 </section> | |
25800 <section name="modifications"> | |
25801 <param name="fixed" value=""/> | |
25802 <param name="variable" value=""/> | |
25803 <param name="variable_max_per_peptide" value="2"/> | |
25804 </section> | |
25805 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25806 <output name="ctd_out" ftype="xml"> | |
25807 <assert_contents> | |
25808 <is_valid_xml/> | |
25809 </assert_contents> | |
25810 </output> | |
25811 </test> | |
25812 </xml> | |
25813 <xml name="autotest_SpectraFilterBernNorm"> | |
25814 </xml> | |
25815 <xml name="autotest_SpectraFilterMarkerMower"> | |
25816 </xml> | |
25817 <xml name="autotest_SpectraFilterNLargest"> | |
25818 </xml> | |
25819 <xml name="autotest_SpectraFilterNormalizer"> | |
25820 </xml> | |
25821 <xml name="autotest_SpectraFilterParentPeakMower"> | |
25822 </xml> | |
25823 <xml name="autotest_SpectraFilterScaler"> | |
25824 </xml> | |
25825 <xml name="autotest_SpectraFilterSqrtMower"> | |
25826 <test expect_num_outputs="2"> | |
25827 <conditional name="adv_opts_cond"> | |
25828 <param name="adv_opts_selector" value="advanced"/> | |
25829 <param name="force" value="false"/> | |
25830 <param name="test" value="true"/> | |
25831 </conditional> | |
25832 <param name="in" value="SpectraFilterSqrtMower_1_input.mzML"/> | |
25833 <output name="out" file="SpectraFilterSqrtMower_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
25834 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25835 <output name="ctd_out" ftype="xml"> | |
25836 <assert_contents> | |
25837 <is_valid_xml/> | |
25838 </assert_contents> | |
25839 </output> | |
25840 </test> | |
25841 </xml> | |
25842 <xml name="autotest_SpectraFilterThresholdMower"> | |
25843 </xml> | |
25844 <xml name="autotest_SpectraFilterWindowMower"> | |
25845 <test expect_num_outputs="2"> | |
25846 <conditional name="adv_opts_cond"> | |
25847 <param name="adv_opts_selector" value="advanced"/> | |
25848 <param name="force" value="false"/> | |
25849 <param name="test" value="true"/> | |
25850 </conditional> | |
25851 <param name="in" value="SpectraFilterWindowMower_1_input.mzML"/> | |
25852 <output name="out" file="SpectraFilterWindowMower_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
25853 <section name="algorithm"> | |
25854 <param name="windowsize" value="50.0"/> | |
25855 <param name="peakcount" value="2"/> | |
25856 <param name="movetype" value="slide"/> | |
25857 </section> | |
25858 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25859 <output name="ctd_out" ftype="xml"> | |
25860 <assert_contents> | |
25861 <is_valid_xml/> | |
25862 </assert_contents> | |
25863 </output> | |
25864 </test> | |
25865 <test expect_num_outputs="2"> | |
25866 <conditional name="adv_opts_cond"> | |
25867 <param name="adv_opts_selector" value="advanced"/> | |
25868 <param name="force" value="false"/> | |
25869 <param name="test" value="true"/> | |
25870 </conditional> | |
25871 <param name="in" value="SpectraFilterWindowMower_2_input.mzML"/> | |
25872 <output name="out" file="SpectraFilterWindowMower_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
25873 <section name="algorithm"> | |
25874 <param name="windowsize" value="20.0"/> | |
25875 <param name="peakcount" value="4"/> | |
25876 <param name="movetype" value="slide"/> | |
25877 </section> | |
25878 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25879 <output name="ctd_out" ftype="xml"> | |
25880 <assert_contents> | |
25881 <is_valid_xml/> | |
25882 </assert_contents> | |
25883 </output> | |
25884 </test> | |
25885 </xml> | |
25886 <xml name="autotest_SpectraMerger"> | |
25887 </xml> | |
25888 <xml name="autotest_SpectraSTSearchAdapter"/> | |
25889 <xml name="autotest_StaticModification"> | |
25890 </xml> | |
25891 <xml name="autotest_SvmTheoreticalSpectrumGeneratorTrainer"> | |
25892 </xml> | |
25893 <xml name="autotest_TargetedFileConverter"> | |
25894 <test expect_num_outputs="2"> | |
25895 <conditional name="adv_opts_cond"> | |
25896 <param name="adv_opts_selector" value="advanced"/> | |
25897 <param name="legacy_traml_id" value="false"/> | |
25898 <param name="force" value="false"/> | |
25899 <param name="test" value="true"/> | |
25900 </conditional> | |
25901 <param name="in" value="ConvertTSVToTraML_1_input.tsv" ftype="tabular"/> | |
25902 <output name="out" file="ConvertTSVToTraML_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25903 <param name="out_type" value="TraML"/> | |
25904 <section name="algorithm"> | |
25905 <param name="retentionTimeInterpretation" value="iRT"/> | |
25906 <param name="override_group_label_check" value="false"/> | |
25907 <param name="force_invalid_mods" value="false"/> | |
25908 </section> | |
25909 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25910 <output name="ctd_out" ftype="xml"> | |
25911 <assert_contents> | |
25912 <is_valid_xml/> | |
25913 </assert_contents> | |
25914 </output> | |
25915 </test> | |
25916 <test expect_num_outputs="2"> | |
25917 <conditional name="adv_opts_cond"> | |
25918 <param name="adv_opts_selector" value="advanced"/> | |
25919 <param name="legacy_traml_id" value="false"/> | |
25920 <param name="force" value="false"/> | |
25921 <param name="test" value="true"/> | |
25922 </conditional> | |
25923 <param name="in" value="ConvertTSVToTraML_2_input.tsv" ftype="tabular"/> | |
25924 <output name="out" file="ConvertTSVToTraML_2_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25925 <param name="out_type" value="TraML"/> | |
25926 <section name="algorithm"> | |
25927 <param name="retentionTimeInterpretation" value="minutes"/> | |
25928 <param name="override_group_label_check" value="false"/> | |
25929 <param name="force_invalid_mods" value="false"/> | |
25930 </section> | |
25931 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25932 <output name="ctd_out" ftype="xml"> | |
25933 <assert_contents> | |
25934 <is_valid_xml/> | |
25935 </assert_contents> | |
25936 </output> | |
25937 </test> | |
25938 <test expect_num_outputs="2"> | |
25939 <conditional name="adv_opts_cond"> | |
25940 <param name="adv_opts_selector" value="advanced"/> | |
25941 <param name="legacy_traml_id" value="false"/> | |
25942 <param name="force" value="false"/> | |
25943 <param name="test" value="true"/> | |
25944 </conditional> | |
25945 <param name="in" value="ConvertTSVToTraML_2_input.tsv" ftype="tabular"/> | |
25946 <output name="out" file="ConvertTSVToTraML_3_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25947 <param name="out_type" value="TraML"/> | |
25948 <section name="algorithm"> | |
25949 <param name="retentionTimeInterpretation" value="seconds"/> | |
25950 <param name="override_group_label_check" value="false"/> | |
25951 <param name="force_invalid_mods" value="false"/> | |
25952 </section> | |
25953 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25954 <output name="ctd_out" ftype="xml"> | |
25955 <assert_contents> | |
25956 <is_valid_xml/> | |
25957 </assert_contents> | |
25958 </output> | |
25959 </test> | |
25960 <test expect_num_outputs="2"> | |
25961 <conditional name="adv_opts_cond"> | |
25962 <param name="adv_opts_selector" value="advanced"/> | |
25963 <param name="legacy_traml_id" value="false"/> | |
25964 <param name="force" value="false"/> | |
25965 <param name="test" value="true"/> | |
25966 </conditional> | |
25967 <param name="in" value="ConvertTSVToTraML_4_input.mrm" ftype="mrm"/> | |
25968 <output name="out" file="ConvertTSVToTraML_4_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25969 <param name="out_type" value="TraML"/> | |
25970 <section name="algorithm"> | |
25971 <param name="retentionTimeInterpretation" value="iRT"/> | |
25972 <param name="override_group_label_check" value="false"/> | |
25973 <param name="force_invalid_mods" value="false"/> | |
25974 </section> | |
25975 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25976 <output name="ctd_out" ftype="xml"> | |
25977 <assert_contents> | |
25978 <is_valid_xml/> | |
25979 </assert_contents> | |
25980 </output> | |
25981 </test> | |
25982 <test expect_num_outputs="2"> | |
25983 <conditional name="adv_opts_cond"> | |
25984 <param name="adv_opts_selector" value="advanced"/> | |
25985 <param name="legacy_traml_id" value="false"/> | |
25986 <param name="force" value="false"/> | |
25987 <param name="test" value="true"/> | |
25988 </conditional> | |
25989 <param name="in" value="ConvertTSVToTraML_5_input.tsv" ftype="tabular"/> | |
25990 <output name="out" file="ConvertTSVToTraML_5_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25991 <param name="out_type" value="TraML"/> | |
25992 <section name="algorithm"> | |
25993 <param name="retentionTimeInterpretation" value="iRT"/> | |
25994 <param name="override_group_label_check" value="false"/> | |
25995 <param name="force_invalid_mods" value="false"/> | |
25996 </section> | |
25997 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25998 <output name="ctd_out" ftype="xml"> | |
25999 <assert_contents> | |
26000 <is_valid_xml/> | |
26001 </assert_contents> | |
26002 </output> | |
26003 </test> | |
26004 <test expect_num_outputs="2"> | |
26005 <conditional name="adv_opts_cond"> | |
26006 <param name="adv_opts_selector" value="advanced"/> | |
26007 <param name="legacy_traml_id" value="false"/> | |
26008 <param name="force" value="false"/> | |
26009 <param name="test" value="true"/> | |
26010 </conditional> | |
26011 <param name="in" value="ConvertTSVToTraML_6_input.tsv" ftype="tabular"/> | |
26012 <output name="out" file="ConvertTSVToTraML_6_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26013 <param name="out_type" value="TraML"/> | |
26014 <section name="algorithm"> | |
26015 <param name="retentionTimeInterpretation" value="iRT"/> | |
26016 <param name="override_group_label_check" value="false"/> | |
26017 <param name="force_invalid_mods" value="false"/> | |
26018 </section> | |
26019 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26020 <output name="ctd_out" ftype="xml"> | |
26021 <assert_contents> | |
26022 <is_valid_xml/> | |
26023 </assert_contents> | |
26024 </output> | |
26025 </test> | |
26026 <test expect_num_outputs="2"> | |
26027 <conditional name="adv_opts_cond"> | |
26028 <param name="adv_opts_selector" value="advanced"/> | |
26029 <param name="legacy_traml_id" value="false"/> | |
26030 <param name="force" value="false"/> | |
26031 <param name="test" value="true"/> | |
26032 </conditional> | |
26033 <param name="in" value="ConvertTSVToTraML_7_input_Skyline.tsv" ftype="tabular"/> | |
26034 <output name="out" file="ConvertTSVToTraML_7_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26035 <param name="out_type" value="TraML"/> | |
26036 <section name="algorithm"> | |
26037 <param name="retentionTimeInterpretation" value="iRT"/> | |
26038 <param name="override_group_label_check" value="false"/> | |
26039 <param name="force_invalid_mods" value="false"/> | |
26040 </section> | |
26041 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26042 <output name="ctd_out" ftype="xml"> | |
26043 <assert_contents> | |
26044 <is_valid_xml/> | |
26045 </assert_contents> | |
26046 </output> | |
26047 </test> | |
26048 <test expect_num_outputs="2"> | |
26049 <conditional name="adv_opts_cond"> | |
26050 <param name="adv_opts_selector" value="advanced"/> | |
26051 <param name="legacy_traml_id" value="false"/> | |
26052 <param name="force" value="false"/> | |
26053 <param name="test" value="true"/> | |
26054 </conditional> | |
26055 <param name="in" value="TargetedFileConverter_1_output.pqp.tmp"/> | |
26056 <output name="out" file="TargetedFileConverter_1_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26057 <param name="out_type" value="TraML"/> | |
26058 <section name="algorithm"> | |
26059 <param name="retentionTimeInterpretation" value="iRT"/> | |
26060 <param name="override_group_label_check" value="false"/> | |
26061 <param name="force_invalid_mods" value="false"/> | |
26062 </section> | |
26063 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26064 <output name="ctd_out" ftype="xml"> | |
26065 <assert_contents> | |
26066 <is_valid_xml/> | |
26067 </assert_contents> | |
26068 </output> | |
26069 </test> | |
26070 <test expect_num_outputs="2"> | |
26071 <conditional name="adv_opts_cond"> | |
26072 <param name="adv_opts_selector" value="advanced"/> | |
26073 <param name="legacy_traml_id" value="true"/> | |
26074 <param name="force" value="false"/> | |
26075 <param name="test" value="true"/> | |
26076 </conditional> | |
26077 <param name="in" value="TargetedFileConverter_1_output.pqp.tmp"/> | |
26078 <output name="out" file="TargetedFileConverter_2_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26079 <param name="out_type" value="TraML"/> | |
26080 <section name="algorithm"> | |
26081 <param name="retentionTimeInterpretation" value="iRT"/> | |
26082 <param name="override_group_label_check" value="false"/> | |
26083 <param name="force_invalid_mods" value="false"/> | |
26084 </section> | |
26085 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26086 <output name="ctd_out" ftype="xml"> | |
26087 <assert_contents> | |
26088 <is_valid_xml/> | |
26089 </assert_contents> | |
26090 </output> | |
26091 </test> | |
26092 <test expect_num_outputs="2"> | |
26093 <conditional name="adv_opts_cond"> | |
26094 <param name="adv_opts_selector" value="advanced"/> | |
26095 <param name="legacy_traml_id" value="false"/> | |
26096 <param name="force" value="false"/> | |
26097 <param name="test" value="true"/> | |
26098 </conditional> | |
26099 <param name="in" value="TargetedFileConverter_3_output.pqp.tmp"/> | |
26100 <output name="out" file="TargetedFileConverter_3_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26101 <param name="out_type" value="TraML"/> | |
26102 <section name="algorithm"> | |
26103 <param name="retentionTimeInterpretation" value="iRT"/> | |
26104 <param name="override_group_label_check" value="false"/> | |
26105 <param name="force_invalid_mods" value="false"/> | |
26106 </section> | |
26107 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26108 <output name="ctd_out" ftype="xml"> | |
26109 <assert_contents> | |
26110 <is_valid_xml/> | |
26111 </assert_contents> | |
26112 </output> | |
26113 </test> | |
26114 <test expect_num_outputs="2"> | |
26115 <conditional name="adv_opts_cond"> | |
26116 <param name="adv_opts_selector" value="advanced"/> | |
26117 <param name="legacy_traml_id" value="true"/> | |
26118 <param name="force" value="false"/> | |
26119 <param name="test" value="true"/> | |
26120 </conditional> | |
26121 <param name="in" value="TargetedFileConverter_3_output.pqp.tmp"/> | |
26122 <output name="out" file="TargetedFileConverter_4_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26123 <param name="out_type" value="TraML"/> | |
26124 <section name="algorithm"> | |
26125 <param name="retentionTimeInterpretation" value="iRT"/> | |
26126 <param name="override_group_label_check" value="false"/> | |
26127 <param name="force_invalid_mods" value="false"/> | |
26128 </section> | |
26129 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26130 <output name="ctd_out" ftype="xml"> | |
26131 <assert_contents> | |
26132 <is_valid_xml/> | |
26133 </assert_contents> | |
26134 </output> | |
26135 </test> | |
26136 <test expect_num_outputs="2"> | |
26137 <conditional name="adv_opts_cond"> | |
26138 <param name="adv_opts_selector" value="advanced"/> | |
26139 <param name="legacy_traml_id" value="false"/> | |
26140 <param name="force" value="false"/> | |
26141 <param name="test" value="true"/> | |
26142 </conditional> | |
26143 <param name="in" value="TargetedFileConverter_10_output.TraML.tmp"/> | |
26144 <output name="out" file="TargetedFileConverter_10_output.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
26145 <param name="out_type" value="tsv"/> | |
26146 <section name="algorithm"> | |
26147 <param name="retentionTimeInterpretation" value="iRT"/> | |
26148 <param name="override_group_label_check" value="false"/> | |
26149 <param name="force_invalid_mods" value="false"/> | |
26150 </section> | |
26151 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26152 <output name="ctd_out" ftype="xml"> | |
26153 <assert_contents> | |
26154 <is_valid_xml/> | |
26155 </assert_contents> | |
26156 </output> | |
26157 </test> | |
26158 <test expect_num_outputs="2"> | |
26159 <conditional name="adv_opts_cond"> | |
26160 <param name="adv_opts_selector" value="advanced"/> | |
26161 <param name="legacy_traml_id" value="false"/> | |
26162 <param name="force" value="false"/> | |
26163 <param name="test" value="true"/> | |
26164 </conditional> | |
26165 <param name="in" value="TargetedFileConverter_11_output.pqp.tmp"/> | |
26166 <output name="out" file="TargetedFileConverter_11_input.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26167 <param name="out_type" value="TraML"/> | |
26168 <section name="algorithm"> | |
26169 <param name="retentionTimeInterpretation" value="iRT"/> | |
26170 <param name="override_group_label_check" value="false"/> | |
26171 <param name="force_invalid_mods" value="false"/> | |
26172 </section> | |
26173 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26174 <output name="ctd_out" ftype="xml"> | |
26175 <assert_contents> | |
26176 <is_valid_xml/> | |
26177 </assert_contents> | |
26178 </output> | |
26179 </test> | |
26180 <test expect_num_outputs="2"> | |
26181 <conditional name="adv_opts_cond"> | |
26182 <param name="adv_opts_selector" value="advanced"/> | |
26183 <param name="legacy_traml_id" value="false"/> | |
26184 <param name="force" value="false"/> | |
26185 <param name="test" value="true"/> | |
26186 </conditional> | |
26187 <param name="in" value="TargetedFileConverter_8_output.TraML.tmp"/> | |
26188 <output name="out" file="TargetedFileConverter_8_input.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
26189 <param name="out_type" value="tsv"/> | |
26190 <section name="algorithm"> | |
26191 <param name="retentionTimeInterpretation" value="iRT"/> | |
26192 <param name="override_group_label_check" value="true"/> | |
26193 <param name="force_invalid_mods" value="false"/> | |
26194 </section> | |
26195 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26196 <output name="ctd_out" ftype="xml"> | |
26197 <assert_contents> | |
26198 <is_valid_xml/> | |
26199 </assert_contents> | |
26200 </output> | |
26201 </test> | |
26202 <test expect_num_outputs="2"> | |
26203 <conditional name="adv_opts_cond"> | |
26204 <param name="adv_opts_selector" value="advanced"/> | |
26205 <param name="legacy_traml_id" value="false"/> | |
26206 <param name="force" value="false"/> | |
26207 <param name="test" value="true"/> | |
26208 </conditional> | |
26209 <param name="in" value="TargetedFileConverter_9_output.pqp.tmp"/> | |
26210 <output name="out" file="TargetedFileConverter_9_input.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26211 <param name="out_type" value="TraML"/> | |
26212 <section name="algorithm"> | |
26213 <param name="retentionTimeInterpretation" value="iRT"/> | |
26214 <param name="override_group_label_check" value="true"/> | |
26215 <param name="force_invalid_mods" value="false"/> | |
26216 </section> | |
26217 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26218 <output name="ctd_out" ftype="xml"> | |
26219 <assert_contents> | |
26220 <is_valid_xml/> | |
26221 </assert_contents> | |
26222 </output> | |
26223 </test> | |
26224 <test expect_num_outputs="2"> | |
26225 <conditional name="adv_opts_cond"> | |
26226 <param name="adv_opts_selector" value="advanced"/> | |
26227 <param name="legacy_traml_id" value="false"/> | |
26228 <param name="force" value="false"/> | |
26229 <param name="test" value="true"/> | |
26230 </conditional> | |
26231 <param name="in" value="ConvertTSVToTraML_output.TraML"/> | |
26232 <output name="out" file="ConvertTraMLToTSV_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
26233 <param name="out_type" value="tsv"/> | |
26234 <section name="algorithm"> | |
26235 <param name="retentionTimeInterpretation" value="iRT"/> | |
26236 <param name="override_group_label_check" value="false"/> | |
26237 <param name="force_invalid_mods" value="false"/> | |
26238 </section> | |
26239 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26240 <output name="ctd_out" ftype="xml"> | |
26241 <assert_contents> | |
26242 <is_valid_xml/> | |
26243 </assert_contents> | |
26244 </output> | |
26245 </test> | |
26246 <test expect_num_outputs="2"> | |
26247 <conditional name="adv_opts_cond"> | |
26248 <param name="adv_opts_selector" value="advanced"/> | |
26249 <param name="legacy_traml_id" value="false"/> | |
26250 <param name="force" value="false"/> | |
26251 <param name="test" value="true"/> | |
26252 </conditional> | |
26253 <param name="in" value="TargetedFileConverter_12_output.pqp.tmp"/> | |
26254 <output name="out" file="TargetedFileConverter_12_input.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26255 <param name="out_type" value="TraML"/> | |
26256 <section name="algorithm"> | |
26257 <param name="retentionTimeInterpretation" value="iRT"/> | |
26258 <param name="override_group_label_check" value="true"/> | |
26259 <param name="force_invalid_mods" value="false"/> | |
26260 </section> | |
26261 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26262 <output name="ctd_out" ftype="xml"> | |
26263 <assert_contents> | |
26264 <is_valid_xml/> | |
26265 </assert_contents> | |
26266 </output> | |
26267 </test> | |
26268 <test expect_num_outputs="2"> | |
26269 <conditional name="adv_opts_cond"> | |
26270 <param name="adv_opts_selector" value="advanced"/> | |
26271 <param name="legacy_traml_id" value="false"/> | |
26272 <param name="force" value="false"/> | |
26273 <param name="test" value="true"/> | |
26274 </conditional> | |
26275 <param name="in" value="TargetedFileConverter_12_input.tsv" ftype="tabular"/> | |
26276 <output name="out" file="TargetedFileConverter_13_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26277 <param name="out_type" value="TraML"/> | |
26278 <section name="algorithm"> | |
26279 <param name="retentionTimeInterpretation" value="iRT"/> | |
26280 <param name="override_group_label_check" value="false"/> | |
26281 <param name="force_invalid_mods" value="false"/> | |
26282 </section> | |
26283 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26284 <output name="ctd_out" ftype="xml"> | |
26285 <assert_contents> | |
26286 <is_valid_xml/> | |
26287 </assert_contents> | |
26288 </output> | |
26289 </test> | |
26290 <test expect_num_outputs="2"> | |
26291 <conditional name="adv_opts_cond"> | |
26292 <param name="adv_opts_selector" value="advanced"/> | |
26293 <param name="legacy_traml_id" value="false"/> | |
26294 <param name="force" value="false"/> | |
26295 <param name="test" value="true"/> | |
26296 </conditional> | |
26297 <param name="in" value="ConvertTSVToTraML_5_output.TraML"/> | |
26298 <output name="out" file="ConvertTraMLToTSV_output_2.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
26299 <param name="out_type" value="tsv"/> | |
26300 <section name="algorithm"> | |
26301 <param name="retentionTimeInterpretation" value="iRT"/> | |
26302 <param name="override_group_label_check" value="false"/> | |
26303 <param name="force_invalid_mods" value="false"/> | |
26304 </section> | |
26305 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26306 <output name="ctd_out" ftype="xml"> | |
26307 <assert_contents> | |
26308 <is_valid_xml/> | |
26309 </assert_contents> | |
26310 </output> | |
26311 </test> | |
26312 <test expect_num_outputs="2"> | |
26313 <conditional name="adv_opts_cond"> | |
26314 <param name="adv_opts_selector" value="advanced"/> | |
26315 <param name="legacy_traml_id" value="false"/> | |
26316 <param name="force" value="false"/> | |
26317 <param name="test" value="true"/> | |
26318 </conditional> | |
26319 <param name="in" value="AssayGeneratorMetabo_ams_uku_output_consensus.tsv" ftype="tabular"/> | |
26320 <output name="out" file="AssayGeneratorMetabo_ams_uku_output_consensus_traml.tmp.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
26321 <param name="out_type" value="traml"/> | |
26322 <section name="algorithm"> | |
26323 <param name="retentionTimeInterpretation" value="iRT"/> | |
26324 <param name="override_group_label_check" value="false"/> | |
26325 <param name="force_invalid_mods" value="false"/> | |
26326 </section> | |
26327 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26328 <output name="ctd_out" ftype="xml"> | |
26329 <assert_contents> | |
26330 <is_valid_xml/> | |
26331 </assert_contents> | |
26332 </output> | |
26333 </test> | |
26334 </xml> | |
26335 <xml name="autotest_TextExporter"> | |
26336 <test expect_num_outputs="2"> | |
26337 <conditional name="adv_opts_cond"> | |
26338 <param name="adv_opts_selector" value="advanced"/> | |
26339 <param name="force" value="false"/> | |
26340 <param name="test" value="true"/> | |
26341 </conditional> | |
26342 <param name="in" value="TextExporter_1_input.featureXML"/> | |
26343 <output name="out" file="TextExporter_1_output.txt" compare="sim_size" delta="5700" ftype="tabular"/> | |
26344 <param name="separator" value=""/> | |
26345 <param name="replacement" value="_"/> | |
26346 <param name="quoting" value="none"/> | |
26347 <param name="no_ids" value="false"/> | |
26348 <section name="feature"> | |
26349 <param name="minimal" value="false"/> | |
26350 <param name="add_metavalues" value="-1"/> | |
26351 </section> | |
26352 <section name="id"> | |
26353 <param name="proteins_only" value="false"/> | |
26354 <param name="peptides_only" value="false"/> | |
26355 <param name="protein_groups" value="false"/> | |
26356 <param name="first_dim_rt" value="false"/> | |
26357 <param name="add_metavalues" value="-1"/> | |
26358 <param name="add_hit_metavalues" value="-1"/> | |
26359 <param name="add_protein_hit_metavalues" value="-1"/> | |
26360 </section> | |
26361 <section name="consensus"> | |
26362 <param name="sorting_method" value="none"/> | |
26363 <param name="sort_by_maps" value="false"/> | |
26364 <param name="sort_by_size" value="false"/> | |
26365 </section> | |
26366 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26367 <output name="ctd_out" ftype="xml"> | |
26368 <assert_contents> | |
26369 <is_valid_xml/> | |
26370 </assert_contents> | |
26371 </output> | |
26372 </test> | |
26373 <test expect_num_outputs="5"> | |
26374 <conditional name="adv_opts_cond"> | |
26375 <param name="adv_opts_selector" value="advanced"/> | |
26376 <param name="force" value="false"/> | |
26377 <param name="test" value="true"/> | |
26378 </conditional> | |
26379 <param name="in" value="TextExporter_2_input.consensusXML"/> | |
26380 <output name="out" file="TextExporter_2_consensus_tsv.tmp" compare="sim_size" delta="5700" ftype="tabular"/> | |
26381 <param name="separator" value=""/> | |
26382 <param name="replacement" value="_"/> | |
26383 <param name="quoting" value="none"/> | |
26384 <param name="no_ids" value="true"/> | |
26385 <section name="feature"> | |
26386 <param name="minimal" value="false"/> | |
26387 <param name="add_metavalues" value="-1"/> | |
26388 </section> | |
26389 <section name="id"> | |
26390 <param name="proteins_only" value="false"/> | |
26391 <param name="peptides_only" value="false"/> | |
26392 <param name="protein_groups" value="false"/> | |
26393 <param name="first_dim_rt" value="false"/> | |
26394 <param name="add_metavalues" value="-1"/> | |
26395 <param name="add_hit_metavalues" value="-1"/> | |
26396 <param name="add_protein_hit_metavalues" value="-1"/> | |
26397 </section> | |
26398 <section name="consensus"> | |
26399 <param name="sorting_method" value="RT_then_MZ"/> | |
26400 <param name="sort_by_maps" value="true"/> | |
26401 <param name="sort_by_size" value="true"/> | |
26402 </section> | |
26403 <output name="consensus_centroids" file="TextExporter_2_consensus_centroids.tmp" compare="sim_size" delta="5700" ftype="csv"/> | |
26404 <output name="consensus_elements" file="TextExporter_2_consensus_elements.tmp" compare="sim_size" delta="5700" ftype="csv"/> | |
26405 <output name="consensus_features" file="TextExporter_2_consensus_features.tmp" compare="sim_size" delta="5700" ftype="csv"/> | |
26406 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,centroids_FLAG,elements_FLAG,features_FLAG"/> | |
26407 <output name="ctd_out" ftype="xml"> | |
26408 <assert_contents> | |
26409 <is_valid_xml/> | |
26410 </assert_contents> | |
26411 </output> | |
26412 </test> | |
26413 <test expect_num_outputs="2"> | |
26414 <conditional name="adv_opts_cond"> | |
26415 <param name="adv_opts_selector" value="advanced"/> | |
26416 <param name="force" value="false"/> | |
26417 <param name="test" value="true"/> | |
26418 </conditional> | |
26419 <param name="in" value="TextExporter_3_input.idXML"/> | |
26420 <output name="out" file="TextExporter_3_output.txt" compare="sim_size" delta="5700" ftype="tabular"/> | |
26421 <param name="separator" value=""/> | |
26422 <param name="replacement" value="_"/> | |
26423 <param name="quoting" value="none"/> | |
26424 <param name="no_ids" value="false"/> | |
26425 <section name="feature"> | |
26426 <param name="minimal" value="false"/> | |
26427 <param name="add_metavalues" value="-1"/> | |
26428 </section> | |
26429 <section name="id"> | |
26430 <param name="proteins_only" value="false"/> | |
26431 <param name="peptides_only" value="false"/> | |
26432 <param name="protein_groups" value="false"/> | |
26433 <param name="first_dim_rt" value="false"/> | |
26434 <param name="add_metavalues" value="-1"/> | |
26435 <param name="add_hit_metavalues" value="-1"/> | |
26436 <param name="add_protein_hit_metavalues" value="-1"/> | |
26437 </section> | |
26438 <section name="consensus"> | |
26439 <param name="sorting_method" value="none"/> | |
26440 <param name="sort_by_maps" value="false"/> | |
26441 <param name="sort_by_size" value="false"/> | |
26442 </section> | |
26443 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26444 <output name="ctd_out" ftype="xml"> | |
26445 <assert_contents> | |
26446 <is_valid_xml/> | |
26447 </assert_contents> | |
26448 </output> | |
26449 </test> | |
26450 <test expect_num_outputs="2"> | |
26451 <conditional name="adv_opts_cond"> | |
26452 <param name="adv_opts_selector" value="advanced"/> | |
26453 <param name="force" value="false"/> | |
26454 <param name="test" value="true"/> | |
26455 </conditional> | |
26456 <param name="in" value="TextExporter_3_input.idXML"/> | |
26457 <output name="out" file="TextExporter_4_output_proteins.txt" compare="sim_size" delta="5700" ftype="tabular"/> | |
26458 <param name="separator" value=""/> | |
26459 <param name="replacement" value="_"/> | |
26460 <param name="quoting" value="none"/> | |
26461 <param name="no_ids" value="false"/> | |
26462 <section name="feature"> | |
26463 <param name="minimal" value="false"/> | |
26464 <param name="add_metavalues" value="-1"/> | |
26465 </section> | |
26466 <section name="id"> | |
26467 <param name="proteins_only" value="true"/> | |
26468 <param name="peptides_only" value="false"/> | |
26469 <param name="protein_groups" value="false"/> | |
26470 <param name="first_dim_rt" value="false"/> | |
26471 <param name="add_metavalues" value="-1"/> | |
26472 <param name="add_hit_metavalues" value="-1"/> | |
26473 <param name="add_protein_hit_metavalues" value="-1"/> | |
26474 </section> | |
26475 <section name="consensus"> | |
26476 <param name="sorting_method" value="none"/> | |
26477 <param name="sort_by_maps" value="false"/> | |
26478 <param name="sort_by_size" value="false"/> | |
26479 </section> | |
26480 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26481 <output name="ctd_out" ftype="xml"> | |
26482 <assert_contents> | |
26483 <is_valid_xml/> | |
26484 </assert_contents> | |
26485 </output> | |
26486 </test> | |
26487 <test expect_num_outputs="2"> | |
26488 <conditional name="adv_opts_cond"> | |
26489 <param name="adv_opts_selector" value="advanced"/> | |
26490 <param name="force" value="false"/> | |
26491 <param name="test" value="true"/> | |
26492 </conditional> | |
26493 <param name="in" value="TextExporter_5_input.idXML"/> | |
26494 <output name="out" file="TextExporter_5_output_peptides.txt" compare="sim_size" delta="5700" ftype="tabular"/> | |
26495 <param name="separator" value=""/> | |
26496 <param name="replacement" value="_"/> | |
26497 <param name="quoting" value="none"/> | |
26498 <param name="no_ids" value="false"/> | |
26499 <section name="feature"> | |
26500 <param name="minimal" value="false"/> | |
26501 <param name="add_metavalues" value="-1"/> | |
26502 </section> | |
26503 <section name="id"> | |
26504 <param name="proteins_only" value="false"/> | |
26505 <param name="peptides_only" value="true"/> | |
26506 <param name="protein_groups" value="false"/> | |
26507 <param name="first_dim_rt" value="true"/> | |
26508 <param name="add_metavalues" value="-1"/> | |
26509 <param name="add_hit_metavalues" value="-1"/> | |
26510 <param name="add_protein_hit_metavalues" value="-1"/> | |
26511 </section> | |
26512 <section name="consensus"> | |
26513 <param name="sorting_method" value="none"/> | |
26514 <param name="sort_by_maps" value="false"/> | |
26515 <param name="sort_by_size" value="false"/> | |
26516 </section> | |
26517 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26518 <output name="ctd_out" ftype="xml"> | |
26519 <assert_contents> | |
26520 <is_valid_xml/> | |
26521 </assert_contents> | |
26522 </output> | |
26523 </test> | |
26524 <test expect_num_outputs="2"> | |
26525 <conditional name="adv_opts_cond"> | |
26526 <param name="adv_opts_selector" value="advanced"/> | |
26527 <param name="force" value="false"/> | |
26528 <param name="test" value="true"/> | |
26529 </conditional> | |
26530 <param name="in" value="TextExporter_6_input.featureXML"/> | |
26531 <output name="out" file="TextExporter_6_output.txt" compare="sim_size" delta="5700" ftype="tabular"/> | |
26532 <param name="separator" value=""/> | |
26533 <param name="replacement" value="_"/> | |
26534 <param name="quoting" value="none"/> | |
26535 <param name="no_ids" value="true"/> | |
26536 <section name="feature"> | |
26537 <param name="minimal" value="false"/> | |
26538 <param name="add_metavalues" value="-1"/> | |
26539 </section> | |
26540 <section name="id"> | |
26541 <param name="proteins_only" value="false"/> | |
26542 <param name="peptides_only" value="false"/> | |
26543 <param name="protein_groups" value="false"/> | |
26544 <param name="first_dim_rt" value="false"/> | |
26545 <param name="add_metavalues" value="-1"/> | |
26546 <param name="add_hit_metavalues" value="-1"/> | |
26547 <param name="add_protein_hit_metavalues" value="-1"/> | |
26548 </section> | |
26549 <section name="consensus"> | |
26550 <param name="sorting_method" value="none"/> | |
26551 <param name="sort_by_maps" value="false"/> | |
26552 <param name="sort_by_size" value="false"/> | |
26553 </section> | |
26554 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26555 <output name="ctd_out" ftype="xml"> | |
26556 <assert_contents> | |
26557 <is_valid_xml/> | |
26558 </assert_contents> | |
26559 </output> | |
26560 </test> | |
26561 <test expect_num_outputs="2"> | |
26562 <conditional name="adv_opts_cond"> | |
26563 <param name="adv_opts_selector" value="advanced"/> | |
26564 <param name="force" value="false"/> | |
26565 <param name="test" value="true"/> | |
26566 </conditional> | |
26567 <param name="in" value="TextExporter_7_input.consensusXML"/> | |
26568 <output name="out" file="TextExporter_7_consensus_tsv.tmp" compare="sim_size" delta="5700" ftype="tabular"/> | |
26569 <param name="separator" value=""/> | |
26570 <param name="replacement" value="_"/> | |
26571 <param name="quoting" value="none"/> | |
26572 <param name="no_ids" value="false"/> | |
26573 <section name="feature"> | |
26574 <param name="minimal" value="false"/> | |
26575 <param name="add_metavalues" value="-1"/> | |
26576 </section> | |
26577 <section name="id"> | |
26578 <param name="proteins_only" value="false"/> | |
26579 <param name="peptides_only" value="false"/> | |
26580 <param name="protein_groups" value="false"/> | |
26581 <param name="first_dim_rt" value="false"/> | |
26582 <param name="add_metavalues" value="-1"/> | |
26583 <param name="add_hit_metavalues" value="-1"/> | |
26584 <param name="add_protein_hit_metavalues" value="-1"/> | |
26585 </section> | |
26586 <section name="consensus"> | |
26587 <param name="sorting_method" value="RT_then_MZ"/> | |
26588 <param name="sort_by_maps" value="true"/> | |
26589 <param name="sort_by_size" value="true"/> | |
26590 </section> | |
26591 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26592 <output name="ctd_out" ftype="xml"> | |
26593 <assert_contents> | |
26594 <is_valid_xml/> | |
26595 </assert_contents> | |
26596 </output> | |
26597 </test> | |
26598 <test expect_num_outputs="2"> | |
26599 <conditional name="adv_opts_cond"> | |
26600 <param name="adv_opts_selector" value="advanced"/> | |
26601 <param name="force" value="false"/> | |
26602 <param name="test" value="true"/> | |
26603 </conditional> | |
26604 <param name="in" value="TextExporter_1_input.featureXML"/> | |
26605 <output name="out" file="TextExporter_8_output.txt" compare="sim_size" delta="5700" ftype="tabular"/> | |
26606 <param name="separator" value=""/> | |
26607 <param name="replacement" value="_"/> | |
26608 <param name="quoting" value="none"/> | |
26609 <param name="no_ids" value="true"/> | |
26610 <section name="feature"> | |
26611 <param name="minimal" value="false"/> | |
26612 <param name="add_metavalues" value="-1"/> | |
26613 </section> | |
26614 <section name="id"> | |
26615 <param name="proteins_only" value="false"/> | |
26616 <param name="peptides_only" value="false"/> | |
26617 <param name="protein_groups" value="false"/> | |
26618 <param name="first_dim_rt" value="false"/> | |
26619 <param name="add_metavalues" value="-1"/> | |
26620 <param name="add_hit_metavalues" value="-1"/> | |
26621 <param name="add_protein_hit_metavalues" value="-1"/> | |
26622 </section> | |
26623 <section name="consensus"> | |
26624 <param name="sorting_method" value="none"/> | |
26625 <param name="sort_by_maps" value="false"/> | |
26626 <param name="sort_by_size" value="false"/> | |
26627 </section> | |
26628 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26629 <output name="ctd_out" ftype="xml"> | |
26630 <assert_contents> | |
26631 <is_valid_xml/> | |
26632 </assert_contents> | |
26633 </output> | |
26634 </test> | |
26635 <test expect_num_outputs="2"> | |
26636 <conditional name="adv_opts_cond"> | |
26637 <param name="adv_opts_selector" value="advanced"/> | |
26638 <param name="force" value="false"/> | |
26639 <param name="test" value="true"/> | |
26640 </conditional> | |
26641 <param name="in" value="TextExporter_9_input.idXML"/> | |
26642 <output name="out" file="TextExporter_9_output.txt" compare="sim_size" delta="5700" ftype="tabular"/> | |
26643 <param name="separator" value=""/> | |
26644 <param name="replacement" value="_"/> | |
26645 <param name="quoting" value="none"/> | |
26646 <param name="no_ids" value="false"/> | |
26647 <section name="feature"> | |
26648 <param name="minimal" value="false"/> | |
26649 <param name="add_metavalues" value="-1"/> | |
26650 </section> | |
26651 <section name="id"> | |
26652 <param name="proteins_only" value="false"/> | |
26653 <param name="peptides_only" value="false"/> | |
26654 <param name="protein_groups" value="false"/> | |
26655 <param name="first_dim_rt" value="false"/> | |
26656 <param name="add_metavalues" value="0"/> | |
26657 <param name="add_hit_metavalues" value="0"/> | |
26658 <param name="add_protein_hit_metavalues" value="-1"/> | |
26659 </section> | |
26660 <section name="consensus"> | |
26661 <param name="sorting_method" value="none"/> | |
26662 <param name="sort_by_maps" value="false"/> | |
26663 <param name="sort_by_size" value="false"/> | |
26664 </section> | |
26665 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26666 <output name="ctd_out" ftype="xml"> | |
26667 <assert_contents> | |
26668 <is_valid_xml/> | |
26669 </assert_contents> | |
26670 </output> | |
26671 </test> | |
26672 </xml> | |
26673 <xml name="autotest_TICCalculator"> | |
26674 <test expect_num_outputs="1"> | |
26675 <conditional name="adv_opts_cond"> | |
26676 <param name="adv_opts_selector" value="advanced"/> | |
26677 <param name="force" value="false"/> | |
26678 <param name="test" value="true"/> | |
26679 </conditional> | |
26680 <param name="in" value="MapNormalizer_output.mzML"/> | |
26681 <param name="read_method" value="regular"/> | |
26682 <param name="loadData" value="true"/> | |
26683 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26684 <output name="ctd_out" ftype="xml"> | |
26685 <assert_contents> | |
26686 <is_valid_xml/> | |
26687 </assert_contents> | |
26688 </output> | |
26689 </test> | |
26690 <test expect_num_outputs="1"> | |
26691 <conditional name="adv_opts_cond"> | |
26692 <param name="adv_opts_selector" value="advanced"/> | |
26693 <param name="force" value="false"/> | |
26694 <param name="test" value="true"/> | |
26695 </conditional> | |
26696 <param name="in" value="MapNormalizer_output.mzML"/> | |
26697 <param name="read_method" value="streaming"/> | |
26698 <param name="loadData" value="true"/> | |
26699 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26700 <output name="ctd_out" ftype="xml"> | |
26701 <assert_contents> | |
26702 <is_valid_xml/> | |
26703 </assert_contents> | |
26704 </output> | |
26705 </test> | |
26706 <test expect_num_outputs="1"> | |
26707 <conditional name="adv_opts_cond"> | |
26708 <param name="adv_opts_selector" value="advanced"/> | |
26709 <param name="force" value="false"/> | |
26710 <param name="test" value="true"/> | |
26711 </conditional> | |
26712 <param name="in" value="MapNormalizer_output.mzML"/> | |
26713 <param name="read_method" value="streaming"/> | |
26714 <param name="loadData" value="false"/> | |
26715 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26716 <output name="ctd_out" ftype="xml"> | |
26717 <assert_contents> | |
26718 <is_valid_xml/> | |
26719 </assert_contents> | |
26720 </output> | |
26721 </test> | |
26722 <test expect_num_outputs="1"> | |
26723 <conditional name="adv_opts_cond"> | |
26724 <param name="adv_opts_selector" value="advanced"/> | |
26725 <param name="force" value="false"/> | |
26726 <param name="test" value="true"/> | |
26727 </conditional> | |
26728 <param name="in" value="MapNormalizer_output.mzML"/> | |
26729 <param name="read_method" value="indexed"/> | |
26730 <param name="loadData" value="true"/> | |
26731 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26732 <output name="ctd_out" ftype="xml"> | |
26733 <assert_contents> | |
26734 <is_valid_xml/> | |
26735 </assert_contents> | |
26736 </output> | |
26737 </test> | |
26738 <test expect_num_outputs="1"> | |
26739 <conditional name="adv_opts_cond"> | |
26740 <param name="adv_opts_selector" value="advanced"/> | |
26741 <param name="force" value="false"/> | |
26742 <param name="test" value="true"/> | |
26743 </conditional> | |
26744 <param name="in" value="MapNormalizer_output.mzML"/> | |
26745 <param name="read_method" value="indexed_parallel"/> | |
26746 <param name="loadData" value="true"/> | |
26747 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26748 <output name="ctd_out" ftype="xml"> | |
26749 <assert_contents> | |
26750 <is_valid_xml/> | |
26751 </assert_contents> | |
26752 </output> | |
26753 </test> | |
26754 </xml> | |
26755 <xml name="autotest_TOFCalibration"> | |
26756 <test expect_num_outputs="2"> | |
26757 <conditional name="adv_opts_cond"> | |
26758 <param name="adv_opts_selector" value="advanced"/> | |
26759 <param name="force" value="false"/> | |
26760 <param name="test" value="true"/> | |
26761 </conditional> | |
26762 <param name="in" value="TOFCalibration_1_input.mzML"/> | |
26763 <output name="out" file="TOFCalibration_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
26764 <param name="ext_calibrants" value="TOFCalibration_1_calibrants.mzML"/> | |
26765 <param name="ref_masses" value="TOFCalibration_ref_masses.tsv" ftype="tabular"/> | |
26766 <param name="tof_const" value="TOFCalibration_const.tsv" ftype="tabular"/> | |
26767 <param name="peak_data" value="false"/> | |
26768 <section name="algorithm"> | |
26769 <section name="PeakPicker"> | |
26770 <param name="signal_to_noise" value="3.0"/> | |
26771 <param name="centroid_percentage" value="0.6"/> | |
26772 <param name="peak_width" value="0.15"/> | |
26773 <param name="estimate_peak_width" value="false"/> | |
26774 <param name="fwhm_lower_bound_factor" value="0.7"/> | |
26775 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
26776 <section name="optimization"> | |
26777 <param name="iterations" value="400"/> | |
26778 <section name="penalties"> | |
26779 <param name="position" value="0.0"/> | |
26780 <param name="left_width" value="1.0"/> | |
26781 <param name="right_width" value="1.0"/> | |
26782 <param name="height" value="1.0"/> | |
26783 </section> | |
26784 <section name="2d"> | |
26785 <param name="tolerance_mz" value="2.2"/> | |
26786 <param name="max_peak_distance" value="1.2"/> | |
26787 </section> | |
26788 </section> | |
26789 <section name="thresholds"> | |
26790 <param name="peak_bound" value="400.0"/> | |
26791 <param name="peak_bound_ms2_level" value="10.0"/> | |
26792 <param name="correlation" value="0.0"/> | |
26793 <param name="noise_level" value="0.1"/> | |
26794 <param name="search_radius" value="3"/> | |
26795 </section> | |
26796 <section name="wavelet_transform"> | |
26797 <param name="spacing" value="0.001"/> | |
26798 </section> | |
26799 <section name="deconvolution"> | |
26800 <param name="deconvolution" value="false"/> | |
26801 <param name="asym_threshold" value="0.3"/> | |
26802 <param name="left_width" value="2.0"/> | |
26803 <param name="right_width" value="2.0"/> | |
26804 <param name="scaling" value="0.12"/> | |
26805 <section name="fitting"> | |
26806 <param name="fwhm_threshold" value="0.7"/> | |
26807 <param name="eps_abs" value="9.999999747378752e-06"/> | |
26808 <param name="eps_rel" value="9.999999747378752e-06"/> | |
26809 <param name="max_iteration" value="10"/> | |
26810 <section name="penalties"> | |
26811 <param name="position" value="0.0"/> | |
26812 <param name="height" value="1.0"/> | |
26813 <param name="left_width" value="0.0"/> | |
26814 <param name="right_width" value="0.0"/> | |
26815 </section> | |
26816 </section> | |
26817 </section> | |
26818 <section name="SignalToNoiseEstimationParameter"> | |
26819 <param name="max_intensity" value="-1"/> | |
26820 <param name="auto_max_stdev_factor" value="3.0"/> | |
26821 <param name="auto_max_percentile" value="95"/> | |
26822 <param name="auto_mode" value="0"/> | |
26823 <param name="win_len" value="200.0"/> | |
26824 <param name="bin_count" value="30"/> | |
26825 <param name="stdev_mp" value="3.0"/> | |
26826 <param name="min_required_elements" value="10"/> | |
26827 <param name="noise_for_empty_window" value="1e+20"/> | |
26828 </section> | |
26829 </section> | |
26830 </section> | |
26831 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26832 <output name="ctd_out" ftype="xml"> | |
26833 <assert_contents> | |
26834 <is_valid_xml/> | |
26835 </assert_contents> | |
26836 </output> | |
26837 </test> | |
26838 <test expect_num_outputs="2"> | |
26839 <conditional name="adv_opts_cond"> | |
26840 <param name="adv_opts_selector" value="advanced"/> | |
26841 <param name="force" value="false"/> | |
26842 <param name="test" value="true"/> | |
26843 </conditional> | |
26844 <param name="in" value="TOFCalibration_2_input.mzML"/> | |
26845 <output name="out" file="TOFCalibration_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
26846 <param name="ext_calibrants" value="TOFCalibration_2_calibrants.mzML"/> | |
26847 <param name="ref_masses" value="TOFCalibration_ref_masses.tsv" ftype="tabular"/> | |
26848 <param name="tof_const" value="TOFCalibration_const.tsv" ftype="tabular"/> | |
26849 <param name="peak_data" value="true"/> | |
26850 <section name="algorithm"> | |
26851 <section name="PeakPicker"> | |
26852 <param name="signal_to_noise" value="3.0"/> | |
26853 <param name="centroid_percentage" value="0.6"/> | |
26854 <param name="peak_width" value="0.15"/> | |
26855 <param name="estimate_peak_width" value="false"/> | |
26856 <param name="fwhm_lower_bound_factor" value="0.7"/> | |
26857 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
26858 <section name="optimization"> | |
26859 <param name="iterations" value="400"/> | |
26860 <section name="penalties"> | |
26861 <param name="position" value="0.0"/> | |
26862 <param name="left_width" value="1.0"/> | |
26863 <param name="right_width" value="1.0"/> | |
26864 <param name="height" value="1.0"/> | |
26865 </section> | |
26866 <section name="2d"> | |
26867 <param name="tolerance_mz" value="2.2"/> | |
26868 <param name="max_peak_distance" value="1.2"/> | |
26869 </section> | |
26870 </section> | |
26871 <section name="thresholds"> | |
26872 <param name="peak_bound" value="400.0"/> | |
26873 <param name="peak_bound_ms2_level" value="10.0"/> | |
26874 <param name="correlation" value="0.0"/> | |
26875 <param name="noise_level" value="0.1"/> | |
26876 <param name="search_radius" value="3"/> | |
26877 </section> | |
26878 <section name="wavelet_transform"> | |
26879 <param name="spacing" value="0.001"/> | |
26880 </section> | |
26881 <section name="deconvolution"> | |
26882 <param name="deconvolution" value="false"/> | |
26883 <param name="asym_threshold" value="0.3"/> | |
26884 <param name="left_width" value="2.0"/> | |
26885 <param name="right_width" value="2.0"/> | |
26886 <param name="scaling" value="0.12"/> | |
26887 <section name="fitting"> | |
26888 <param name="fwhm_threshold" value="0.7"/> | |
26889 <param name="eps_abs" value="9.999999747378752e-06"/> | |
26890 <param name="eps_rel" value="9.999999747378752e-06"/> | |
26891 <param name="max_iteration" value="10"/> | |
26892 <section name="penalties"> | |
26893 <param name="position" value="0.0"/> | |
26894 <param name="height" value="1.0"/> | |
26895 <param name="left_width" value="0.0"/> | |
26896 <param name="right_width" value="0.0"/> | |
26897 </section> | |
26898 </section> | |
26899 </section> | |
26900 <section name="SignalToNoiseEstimationParameter"> | |
26901 <param name="max_intensity" value="-1"/> | |
26902 <param name="auto_max_stdev_factor" value="3.0"/> | |
26903 <param name="auto_max_percentile" value="95"/> | |
26904 <param name="auto_mode" value="0"/> | |
26905 <param name="win_len" value="200.0"/> | |
26906 <param name="bin_count" value="30"/> | |
26907 <param name="stdev_mp" value="3.0"/> | |
26908 <param name="min_required_elements" value="10"/> | |
26909 <param name="noise_for_empty_window" value="1e+20"/> | |
26910 </section> | |
26911 </section> | |
26912 </section> | |
26913 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26914 <output name="ctd_out" ftype="xml"> | |
26915 <assert_contents> | |
26916 <is_valid_xml/> | |
26917 </assert_contents> | |
26918 </output> | |
26919 </test> | |
26920 </xml> | |
26921 <xml name="autotest_TransformationEvaluation"> | |
26922 </xml> | |
26923 <xml name="autotest_XFDR"> | |
26924 <test expect_num_outputs="4"> | |
26925 <conditional name="adv_opts_cond"> | |
26926 <param name="adv_opts_selector" value="advanced"/> | |
26927 <param name="force" value="false"/> | |
26928 <param name="test" value="true"/> | |
26929 </conditional> | |
26930 <param name="in" value="XFDR_test_in1.idXML"/> | |
26931 <output name="out_idXML" file="XFDR_test_out1_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26932 <output name="out_mzIdentML" file="XFDR_test_out1_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
26933 <output name="out_xquest" file="XFDR_test_out1_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
26934 <param name="decoy_string" value="DECOY_"/> | |
26935 <param name="minborder" value="-50.0"/> | |
26936 <param name="maxborder" value="50.0"/> | |
26937 <param name="mindeltas" value="0.0"/> | |
26938 <param name="minionsmatched" value="0"/> | |
26939 <param name="uniquexl" value="false"/> | |
26940 <param name="no_qvalues" value="false"/> | |
26941 <param name="minscore" value="-10.0"/> | |
26942 <param name="binsize" value="0.1"/> | |
26943 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
26944 <output name="ctd_out" ftype="xml"> | |
26945 <assert_contents> | |
26946 <is_valid_xml/> | |
26947 </assert_contents> | |
26948 </output> | |
26949 </test> | |
26950 <test expect_num_outputs="4"> | |
26951 <conditional name="adv_opts_cond"> | |
26952 <param name="adv_opts_selector" value="advanced"/> | |
26953 <param name="force" value="false"/> | |
26954 <param name="test" value="true"/> | |
26955 </conditional> | |
26956 <param name="in" value="XFDR_test_in1.idXML"/> | |
26957 <output name="out_idXML" file="XFDR_test_out2_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26958 <output name="out_mzIdentML" file="XFDR_test_out2_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
26959 <output name="out_xquest" file="XFDR_test_out2_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
26960 <param name="decoy_string" value="DECOY_"/> | |
26961 <param name="minborder" value="-50.0"/> | |
26962 <param name="maxborder" value="50.0"/> | |
26963 <param name="mindeltas" value="0.0"/> | |
26964 <param name="minionsmatched" value="0"/> | |
26965 <param name="uniquexl" value="true"/> | |
26966 <param name="no_qvalues" value="true"/> | |
26967 <param name="minscore" value="-10.0"/> | |
26968 <param name="binsize" value="0.1"/> | |
26969 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
26970 <output name="ctd_out" ftype="xml"> | |
26971 <assert_contents> | |
26972 <is_valid_xml/> | |
26973 </assert_contents> | |
26974 </output> | |
26975 </test> | |
26976 <test expect_num_outputs="4"> | |
26977 <conditional name="adv_opts_cond"> | |
26978 <param name="adv_opts_selector" value="advanced"/> | |
26979 <param name="force" value="false"/> | |
26980 <param name="test" value="true"/> | |
26981 </conditional> | |
26982 <param name="in" value="XFDR_test_in2.xquest.xml"/> | |
26983 <output name="out_idXML" file="XFDR_test_out3_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26984 <output name="out_mzIdentML" file="XFDR_test_out3_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
26985 <output name="out_xquest" file="XFDR_test_out3_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
26986 <param name="decoy_string" value="DECOY_"/> | |
26987 <param name="minborder" value="-50.0"/> | |
26988 <param name="maxborder" value="50.0"/> | |
26989 <param name="mindeltas" value="0.0"/> | |
26990 <param name="minionsmatched" value="0"/> | |
26991 <param name="uniquexl" value="false"/> | |
26992 <param name="no_qvalues" value="false"/> | |
26993 <param name="minscore" value="0.0"/> | |
26994 <param name="binsize" value="0.1"/> | |
26995 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
26996 <output name="ctd_out" ftype="xml"> | |
26997 <assert_contents> | |
26998 <is_valid_xml/> | |
26999 </assert_contents> | |
27000 </output> | |
27001 </test> | |
27002 <test expect_num_outputs="4"> | |
27003 <conditional name="adv_opts_cond"> | |
27004 <param name="adv_opts_selector" value="advanced"/> | |
27005 <param name="force" value="false"/> | |
27006 <param name="test" value="true"/> | |
27007 </conditional> | |
27008 <param name="in" value="XFDR_test_in2.xquest.xml"/> | |
27009 <output name="out_idXML" file="XFDR_test_out4_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
27010 <output name="out_mzIdentML" file="XFDR_test_out4_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
27011 <output name="out_xquest" file="XFDR_test_out4_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
27012 <param name="decoy_string" value="DECOY_"/> | |
27013 <param name="minborder" value="-3.0"/> | |
27014 <param name="maxborder" value="3.0"/> | |
27015 <param name="mindeltas" value="0.0"/> | |
27016 <param name="minionsmatched" value="0"/> | |
27017 <param name="uniquexl" value="false"/> | |
27018 <param name="no_qvalues" value="false"/> | |
27019 <param name="minscore" value="-10.0"/> | |
27020 <param name="binsize" value="0.1"/> | |
27021 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
27022 <output name="ctd_out" ftype="xml"> | |
27023 <assert_contents> | |
27024 <is_valid_xml/> | |
27025 </assert_contents> | |
27026 </output> | |
27027 </test> | |
27028 <test expect_num_outputs="4"> | |
27029 <conditional name="adv_opts_cond"> | |
27030 <param name="adv_opts_selector" value="advanced"/> | |
27031 <param name="force" value="false"/> | |
27032 <param name="test" value="true"/> | |
27033 </conditional> | |
27034 <param name="in" value="XFDR_test_in3.xquest.xml"/> | |
27035 <output name="out_idXML" file="XFDR_test_out5_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
27036 <output name="out_mzIdentML" file="XFDR_test_out5_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
27037 <output name="out_xquest" file="XFDR_test_out5_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
27038 <param name="decoy_string" value="DECOY_"/> | |
27039 <param name="minborder" value="-3.0"/> | |
27040 <param name="maxborder" value="3.0"/> | |
27041 <param name="mindeltas" value="0.0"/> | |
27042 <param name="minionsmatched" value="0"/> | |
27043 <param name="uniquexl" value="false"/> | |
27044 <param name="no_qvalues" value="false"/> | |
27045 <param name="minscore" value="-10.0"/> | |
27046 <param name="binsize" value="0.1"/> | |
27047 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
27048 <output name="ctd_out" ftype="xml"> | |
27049 <assert_contents> | |
27050 <is_valid_xml/> | |
27051 </assert_contents> | |
27052 </output> | |
27053 </test> | |
27054 <test expect_num_outputs="2"> | |
27055 <conditional name="adv_opts_cond"> | |
27056 <param name="adv_opts_selector" value="advanced"/> | |
27057 <param name="force" value="false"/> | |
27058 <param name="test" value="true"/> | |
27059 </conditional> | |
27060 <param name="in" value="XFDR_test_in4.idXML"/> | |
27061 <output name="out_idXML" file="XFDR_test_out6_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
27062 <param name="decoy_string" value="DECOY_"/> | |
27063 <param name="minborder" value="-50.0"/> | |
27064 <param name="maxborder" value="50.0"/> | |
27065 <param name="mindeltas" value="0.0"/> | |
27066 <param name="minionsmatched" value="0"/> | |
27067 <param name="uniquexl" value="false"/> | |
27068 <param name="no_qvalues" value="false"/> | |
27069 <param name="minscore" value="-10.0"/> | |
27070 <param name="binsize" value="0.1"/> | |
27071 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG"/> | |
27072 <output name="ctd_out" ftype="xml"> | |
27073 <assert_contents> | |
27074 <is_valid_xml/> | |
27075 </assert_contents> | |
27076 </output> | |
27077 </test> | |
27078 <test expect_num_outputs="4"> | |
27079 <conditional name="adv_opts_cond"> | |
27080 <param name="adv_opts_selector" value="advanced"/> | |
27081 <param name="force" value="false"/> | |
27082 <param name="test" value="true"/> | |
27083 </conditional> | |
27084 <param name="in" value="XFDR_test_in2.xquest.xml"/> | |
27085 <output name="out_idXML" file="XFDR_test_out7_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
27086 <output name="out_mzIdentML" file="XFDR_test_out7_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
27087 <output name="out_xquest" file="XFDR_test_out7_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
27088 <param name="decoy_string" value="DECOY_"/> | |
27089 <param name="minborder" value="-50.0"/> | |
27090 <param name="maxborder" value="50.0"/> | |
27091 <param name="mindeltas" value="0.0"/> | |
27092 <param name="minionsmatched" value="0"/> | |
27093 <param name="uniquexl" value="true"/> | |
27094 <param name="no_qvalues" value="false"/> | |
27095 <param name="minscore" value="0.0"/> | |
27096 <param name="binsize" value="0.1"/> | |
27097 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
27098 <output name="ctd_out" ftype="xml"> | |
27099 <assert_contents> | |
27100 <is_valid_xml/> | |
27101 </assert_contents> | |
27102 </output> | |
27103 </test> | |
27104 </xml> | |
27105 <xml name="autotest_XMLValidator"> | |
27106 </xml> | |
27107 <xml name="autotest_XTandemAdapter"> | |
27108 <test expect_num_outputs="2"> | |
27109 <conditional name="adv_opts_cond"> | |
27110 <param name="adv_opts_selector" value="advanced"/> | |
27111 <param name="force" value="false"/> | |
27112 <param name="test" value="true"/> | |
27113 </conditional> | |
27114 <param name="in" value="spectra.mzML"/> | |
27115 <output name="out" file="XTandemAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
27116 <param name="database" value="proteins.fasta"/> | |
27117 <param name="default_config_file" value="CHEMISTRY/XTandem_default_input.xml"/> | |
27118 <param name="ignore_adapter_param" value="false"/> | |
27119 <param name="precursor_mass_tolerance" value="5.0"/> | |
27120 <param name="fragment_mass_tolerance" value="0.3"/> | |
27121 <param name="precursor_error_units" value="ppm"/> | |
27122 <param name="fragment_error_units" value="Da"/> | |
27123 <param name="max_precursor_charge" value="0"/> | |
27124 <param name="no_isotope_error" value="false"/> | |
27125 <param name="fixed_modifications" value=""/> | |
27126 <param name="variable_modifications" value="Oxidation (M)"/> | |
27127 <param name="minimum_fragment_mz" value="150.0"/> | |
27128 <param name="enzyme" value="Trypsin"/> | |
27129 <param name="missed_cleavages" value="1"/> | |
27130 <param name="semi_cleavage" value="false"/> | |
27131 <param name="output_results" value="all"/> | |
27132 <param name="max_valid_expect" value="0.1"/> | |
27133 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
27134 <output name="ctd_out" ftype="xml"> | |
27135 <assert_contents> | |
27136 <is_valid_xml/> | |
27137 </assert_contents> | |
27138 </output> | |
27139 </test> | |
27140 <test expect_num_outputs="2"> | |
27141 <conditional name="adv_opts_cond"> | |
27142 <param name="adv_opts_selector" value="advanced"/> | |
27143 <param name="force" value="false"/> | |
27144 <param name="test" value="true"/> | |
27145 </conditional> | |
27146 <param name="in" value="spectra.mzML"/> | |
27147 <output name="out" file="XTandemAdapter_2_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
27148 <param name="database" value="proteins.fasta"/> | |
27149 <param name="default_config_file" value="CHEMISTRY/XTandem_default_input.xml"/> | |
27150 <param name="ignore_adapter_param" value="false"/> | |
27151 <param name="precursor_mass_tolerance" value="5.0"/> | |
27152 <param name="fragment_mass_tolerance" value="0.3"/> | |
27153 <param name="precursor_error_units" value="ppm"/> | |
27154 <param name="fragment_error_units" value="Da"/> | |
27155 <param name="max_precursor_charge" value="0"/> | |
27156 <param name="no_isotope_error" value="false"/> | |
27157 <param name="fixed_modifications" value=""/> | |
27158 <param name="variable_modifications" value="Oxidation (M)"/> | |
27159 <param name="minimum_fragment_mz" value="150.0"/> | |
27160 <param name="enzyme" value="Trypsin"/> | |
27161 <param name="missed_cleavages" value="1"/> | |
27162 <param name="semi_cleavage" value="false"/> | |
27163 <param name="output_results" value="valid"/> | |
27164 <param name="max_valid_expect" value="1e-14"/> | |
27165 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
27166 <output name="ctd_out" ftype="xml"> | |
27167 <assert_contents> | |
27168 <is_valid_xml/> | |
27169 </assert_contents> | |
27170 </output> | |
27171 </test> | |
27172 <test expect_num_outputs="2"> | |
27173 <conditional name="adv_opts_cond"> | |
27174 <param name="adv_opts_selector" value="advanced"/> | |
27175 <param name="force" value="false"/> | |
27176 <param name="test" value="true"/> | |
27177 </conditional> | |
27178 <param name="in" value="spectra.mzML"/> | |
27179 <output name="out" file="XTandemAdapter_3_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
27180 <param name="database" value="proteinslong.fasta"/> | |
27181 <param name="default_config_file" value="CHEMISTRY/XTandem_default_input.xml"/> | |
27182 <param name="ignore_adapter_param" value="false"/> | |
27183 <param name="precursor_mass_tolerance" value="5.0"/> | |
27184 <param name="fragment_mass_tolerance" value="0.3"/> | |
27185 <param name="precursor_error_units" value="ppm"/> | |
27186 <param name="fragment_error_units" value="Da"/> | |
27187 <param name="max_precursor_charge" value="0"/> | |
27188 <param name="no_isotope_error" value="false"/> | |
27189 <param name="fixed_modifications" value=""/> | |
27190 <param name="variable_modifications" value="Oxidation (M)"/> | |
27191 <param name="minimum_fragment_mz" value="150.0"/> | |
27192 <param name="enzyme" value="Trypsin"/> | |
27193 <param name="missed_cleavages" value="1"/> | |
27194 <param name="semi_cleavage" value="false"/> | |
27195 <param name="output_results" value="all"/> | |
27196 <param name="max_valid_expect" value="0.1"/> | |
27197 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
27198 <output name="ctd_out" ftype="xml"> | |
27199 <assert_contents> | |
27200 <is_valid_xml/> | |
27201 </assert_contents> | |
27202 </output> | |
27203 </test> | |
27204 </xml> | |
27205 <xml name="autotest_PTPredict"/><xml name="autotest_InclusionExclusionListCreator"/><xml name="autotest_RTPredict"/><xml name="autotest_ProteomicsLFQ"/><xml name="autotest_IDDecoyProbability"/><xml name="autotest_InspectAdapter"/></macros> |