Mercurial > repos > galaxyp > openms_digestor
comparison macros_autotest.xml @ 10:7af5860ae563 draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit ddf41e8bda1ba065f5cdec98e93dee8165ffc1b9"
author | galaxyp |
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date | Thu, 03 Sep 2020 16:23:17 +0000 |
parents | |
children | ede260ee1404 |
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9:688f329e6583 | 10:7af5860ae563 |
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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="cores" value="1"/> | |
162 <param name="auto_charge" value="false"/> | |
163 <param name="ion_tree" value="false"/> | |
164 <param name="no_recalibration" value="false"/> | |
165 <param name="most_intense_ms2" value="false"/> | |
166 </section> | |
167 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
168 <output name="ctd_out" ftype="xml"> | |
169 <assert_contents> | |
170 <is_valid_xml/> | |
171 </assert_contents> | |
172 </output> | |
173 </test> | |
174 <test expect_num_outputs="2"> | |
175 <conditional name="adv_opts_cond"> | |
176 <param name="adv_opts_selector" value="advanced"/> | |
177 <param name="precursor_recalibration_window" value="0.1"/> | |
178 <param name="precursor_recalibration_window_unit" value="Da"/> | |
179 <param name="min_fragment_mz" value="0.0"/> | |
180 <param name="max_fragment_mz" value="2000.0"/> | |
181 <param name="force" value="false"/> | |
182 <param name="test" value="true"/> | |
183 </conditional> | |
184 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
185 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
186 <param name="out_type" value="tsv"/> | |
187 <output name="out" file="AssayGeneratorMetabo_ams_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
188 <param name="fragment_annotation" value="none"/> | |
189 <param name="method" value="highest_intensity"/> | |
190 <param name="use_exact_mass" value="false"/> | |
191 <param name="exclude_ms2_precursor" value="false"/> | |
192 <param name="precursor_mz_distance" value="0.0001"/> | |
193 <param name="precursor_rt_tolerance" value="5.0"/> | |
194 <param name="use_known_unknowns" value="false"/> | |
195 <param name="min_transitions" value="1"/> | |
196 <param name="max_transitions" value="3"/> | |
197 <param name="cosine_similarity_threshold" value="0.98"/> | |
198 <param name="transition_threshold" value="5.0"/> | |
199 <param name="out_workspace_directory" value=""/> | |
200 <section name="deisotoping"> | |
201 <param name="use_deisotoper" value="false"/> | |
202 <param name="fragment_tolerance" value="1.0"/> | |
203 <param name="fragment_unit" value="ppm"/> | |
204 <param name="min_charge" value="1"/> | |
205 <param name="max_charge" value="1"/> | |
206 <param name="min_isopeaks" value="2"/> | |
207 <param name="max_isopeaks" value="3"/> | |
208 <param name="keep_only_deisotoped" value="false"/> | |
209 <param name="annotate_charge" value="false"/> | |
210 </section> | |
211 <section name="preprocessing"> | |
212 <param name="filter_by_num_masstraces" value="1"/> | |
213 <param name="precursor_mz_tolerance" value="0.005"/> | |
214 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
215 <param name="precursor_rt_tolerance" value="5"/> | |
216 <param name="isotope_pattern_iterations" value="3"/> | |
217 <param name="feature_only" value="false"/> | |
218 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
219 </section> | |
220 <section name="sirius"> | |
221 <param name="profile" value="qtof"/> | |
222 <param name="candidates" value="5"/> | |
223 <param name="database" value="all"/> | |
224 <param name="noise" value="0"/> | |
225 <param name="ppm_max" value="10"/> | |
226 <param name="isotope" value="both"/> | |
227 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
228 <param name="compound_timeout" value="10"/> | |
229 <param name="tree_timeout" value="0"/> | |
230 <param name="top_n_hits" value="10"/> | |
231 <param name="cores" value="1"/> | |
232 <param name="auto_charge" value="false"/> | |
233 <param name="ion_tree" value="false"/> | |
234 <param name="no_recalibration" value="false"/> | |
235 <param name="most_intense_ms2" value="false"/> | |
236 </section> | |
237 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
238 <output name="ctd_out" ftype="xml"> | |
239 <assert_contents> | |
240 <is_valid_xml/> | |
241 </assert_contents> | |
242 </output> | |
243 </test> | |
244 <test expect_num_outputs="2"> | |
245 <conditional name="adv_opts_cond"> | |
246 <param name="adv_opts_selector" value="advanced"/> | |
247 <param name="precursor_recalibration_window" value="0.1"/> | |
248 <param name="precursor_recalibration_window_unit" value="Da"/> | |
249 <param name="min_fragment_mz" value="0.0"/> | |
250 <param name="max_fragment_mz" value="2000.0"/> | |
251 <param name="force" value="false"/> | |
252 <param name="test" value="true"/> | |
253 </conditional> | |
254 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
255 <param name="in_id" value="AssayGeneratorMetabo_ffm_input.featureXML"/> | |
256 <param name="out_type" value="tsv"/> | |
257 <output name="out" file="AssayGeneratorMetabo_ffm_output_consensus.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
258 <param name="fragment_annotation" value="none"/> | |
259 <param name="method" value="consensus_spectrum"/> | |
260 <param name="use_exact_mass" value="false"/> | |
261 <param name="exclude_ms2_precursor" value="false"/> | |
262 <param name="precursor_mz_distance" value="0.0001"/> | |
263 <param name="precursor_rt_tolerance" value="5.0"/> | |
264 <param name="use_known_unknowns" value="false"/> | |
265 <param name="min_transitions" value="1"/> | |
266 <param name="max_transitions" value="3"/> | |
267 <param name="cosine_similarity_threshold" value="0.98"/> | |
268 <param name="transition_threshold" value="5.0"/> | |
269 <param name="out_workspace_directory" value=""/> | |
270 <section name="deisotoping"> | |
271 <param name="use_deisotoper" value="false"/> | |
272 <param name="fragment_tolerance" value="1.0"/> | |
273 <param name="fragment_unit" value="ppm"/> | |
274 <param name="min_charge" value="1"/> | |
275 <param name="max_charge" value="1"/> | |
276 <param name="min_isopeaks" value="2"/> | |
277 <param name="max_isopeaks" value="3"/> | |
278 <param name="keep_only_deisotoped" value="false"/> | |
279 <param name="annotate_charge" value="false"/> | |
280 </section> | |
281 <section name="preprocessing"> | |
282 <param name="filter_by_num_masstraces" value="1"/> | |
283 <param name="precursor_mz_tolerance" value="0.005"/> | |
284 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
285 <param name="precursor_rt_tolerance" value="5"/> | |
286 <param name="isotope_pattern_iterations" value="3"/> | |
287 <param name="feature_only" value="false"/> | |
288 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
289 </section> | |
290 <section name="sirius"> | |
291 <param name="profile" value="qtof"/> | |
292 <param name="candidates" value="5"/> | |
293 <param name="database" value="all"/> | |
294 <param name="noise" value="0"/> | |
295 <param name="ppm_max" value="10"/> | |
296 <param name="isotope" value="both"/> | |
297 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
298 <param name="compound_timeout" value="10"/> | |
299 <param name="tree_timeout" value="0"/> | |
300 <param name="top_n_hits" value="10"/> | |
301 <param name="cores" value="1"/> | |
302 <param name="auto_charge" value="false"/> | |
303 <param name="ion_tree" value="false"/> | |
304 <param name="no_recalibration" value="false"/> | |
305 <param name="most_intense_ms2" value="false"/> | |
306 </section> | |
307 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
308 <output name="ctd_out" ftype="xml"> | |
309 <assert_contents> | |
310 <is_valid_xml/> | |
311 </assert_contents> | |
312 </output> | |
313 </test> | |
314 <test expect_num_outputs="2"> | |
315 <conditional name="adv_opts_cond"> | |
316 <param name="adv_opts_selector" value="advanced"/> | |
317 <param name="precursor_recalibration_window" value="0.1"/> | |
318 <param name="precursor_recalibration_window_unit" value="Da"/> | |
319 <param name="min_fragment_mz" value="0.0"/> | |
320 <param name="max_fragment_mz" value="2000.0"/> | |
321 <param name="force" value="false"/> | |
322 <param name="test" value="true"/> | |
323 </conditional> | |
324 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
325 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
326 <param name="out_type" value="tsv"/> | |
327 <output name="out" file="AssayGeneratorMetabo_ams_output_consensus.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
328 <param name="fragment_annotation" value="none"/> | |
329 <param name="method" value="consensus_spectrum"/> | |
330 <param name="use_exact_mass" value="false"/> | |
331 <param name="exclude_ms2_precursor" value="false"/> | |
332 <param name="precursor_mz_distance" value="0.0001"/> | |
333 <param name="precursor_rt_tolerance" value="5.0"/> | |
334 <param name="use_known_unknowns" value="false"/> | |
335 <param name="min_transitions" value="1"/> | |
336 <param name="max_transitions" value="3"/> | |
337 <param name="cosine_similarity_threshold" value="0.98"/> | |
338 <param name="transition_threshold" value="5.0"/> | |
339 <param name="out_workspace_directory" value=""/> | |
340 <section name="deisotoping"> | |
341 <param name="use_deisotoper" value="false"/> | |
342 <param name="fragment_tolerance" value="1.0"/> | |
343 <param name="fragment_unit" value="ppm"/> | |
344 <param name="min_charge" value="1"/> | |
345 <param name="max_charge" value="1"/> | |
346 <param name="min_isopeaks" value="2"/> | |
347 <param name="max_isopeaks" value="3"/> | |
348 <param name="keep_only_deisotoped" value="false"/> | |
349 <param name="annotate_charge" value="false"/> | |
350 </section> | |
351 <section name="preprocessing"> | |
352 <param name="filter_by_num_masstraces" value="1"/> | |
353 <param name="precursor_mz_tolerance" value="0.005"/> | |
354 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
355 <param name="precursor_rt_tolerance" value="5"/> | |
356 <param name="isotope_pattern_iterations" value="3"/> | |
357 <param name="feature_only" value="false"/> | |
358 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
359 </section> | |
360 <section name="sirius"> | |
361 <param name="profile" value="qtof"/> | |
362 <param name="candidates" value="5"/> | |
363 <param name="database" value="all"/> | |
364 <param name="noise" value="0"/> | |
365 <param name="ppm_max" value="10"/> | |
366 <param name="isotope" value="both"/> | |
367 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
368 <param name="compound_timeout" value="10"/> | |
369 <param name="tree_timeout" value="0"/> | |
370 <param name="top_n_hits" value="10"/> | |
371 <param name="cores" value="1"/> | |
372 <param name="auto_charge" value="false"/> | |
373 <param name="ion_tree" value="false"/> | |
374 <param name="no_recalibration" value="false"/> | |
375 <param name="most_intense_ms2" value="false"/> | |
376 </section> | |
377 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
378 <output name="ctd_out" ftype="xml"> | |
379 <assert_contents> | |
380 <is_valid_xml/> | |
381 </assert_contents> | |
382 </output> | |
383 </test> | |
384 <test expect_num_outputs="2"> | |
385 <conditional name="adv_opts_cond"> | |
386 <param name="adv_opts_selector" value="advanced"/> | |
387 <param name="precursor_recalibration_window" value="0.1"/> | |
388 <param name="precursor_recalibration_window_unit" value="Da"/> | |
389 <param name="min_fragment_mz" value="0.0"/> | |
390 <param name="max_fragment_mz" value="2000.0"/> | |
391 <param name="force" value="false"/> | |
392 <param name="test" value="true"/> | |
393 </conditional> | |
394 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
395 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
396 <param name="out_type" value="tsv"/> | |
397 <output name="out" file="AssayGeneratorMetabo_ams_uku_output_consensus.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
398 <param name="fragment_annotation" value="none"/> | |
399 <param name="method" value="consensus_spectrum"/> | |
400 <param name="use_exact_mass" value="false"/> | |
401 <param name="exclude_ms2_precursor" value="false"/> | |
402 <param name="precursor_mz_distance" value="0.0001"/> | |
403 <param name="precursor_rt_tolerance" value="5.0"/> | |
404 <param name="use_known_unknowns" value="true"/> | |
405 <param name="min_transitions" value="1"/> | |
406 <param name="max_transitions" value="3"/> | |
407 <param name="cosine_similarity_threshold" value="0.98"/> | |
408 <param name="transition_threshold" value="5.0"/> | |
409 <param name="out_workspace_directory" value=""/> | |
410 <section name="deisotoping"> | |
411 <param name="use_deisotoper" value="false"/> | |
412 <param name="fragment_tolerance" value="1.0"/> | |
413 <param name="fragment_unit" value="ppm"/> | |
414 <param name="min_charge" value="1"/> | |
415 <param name="max_charge" value="1"/> | |
416 <param name="min_isopeaks" value="2"/> | |
417 <param name="max_isopeaks" value="3"/> | |
418 <param name="keep_only_deisotoped" value="false"/> | |
419 <param name="annotate_charge" value="false"/> | |
420 </section> | |
421 <section name="preprocessing"> | |
422 <param name="filter_by_num_masstraces" value="1"/> | |
423 <param name="precursor_mz_tolerance" value="0.005"/> | |
424 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
425 <param name="precursor_rt_tolerance" value="5"/> | |
426 <param name="isotope_pattern_iterations" value="3"/> | |
427 <param name="feature_only" value="false"/> | |
428 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
429 </section> | |
430 <section name="sirius"> | |
431 <param name="profile" value="qtof"/> | |
432 <param name="candidates" value="5"/> | |
433 <param name="database" value="all"/> | |
434 <param name="noise" value="0"/> | |
435 <param name="ppm_max" value="10"/> | |
436 <param name="isotope" value="both"/> | |
437 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
438 <param name="compound_timeout" value="10"/> | |
439 <param name="tree_timeout" value="0"/> | |
440 <param name="top_n_hits" value="10"/> | |
441 <param name="cores" value="1"/> | |
442 <param name="auto_charge" value="false"/> | |
443 <param name="ion_tree" value="false"/> | |
444 <param name="no_recalibration" value="false"/> | |
445 <param name="most_intense_ms2" value="false"/> | |
446 </section> | |
447 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
448 <output name="ctd_out" ftype="xml"> | |
449 <assert_contents> | |
450 <is_valid_xml/> | |
451 </assert_contents> | |
452 </output> | |
453 </test> | |
454 <test expect_num_outputs="2"> | |
455 <conditional name="adv_opts_cond"> | |
456 <param name="adv_opts_selector" value="advanced"/> | |
457 <param name="precursor_recalibration_window" value="0.1"/> | |
458 <param name="precursor_recalibration_window_unit" value="Da"/> | |
459 <param name="min_fragment_mz" value="0.0"/> | |
460 <param name="max_fragment_mz" value="2000.0"/> | |
461 <param name="force" value="false"/> | |
462 <param name="test" value="true"/> | |
463 </conditional> | |
464 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
465 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
466 <param name="out_type" value="tsv"/> | |
467 <output name="out" file="AssayGeneratorMetabo_ams_sirius_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
468 <param name="fragment_annotation" value="sirius"/> | |
469 <param name="method" value="highest_intensity"/> | |
470 <param name="use_exact_mass" value="true"/> | |
471 <param name="exclude_ms2_precursor" value="false"/> | |
472 <param name="precursor_mz_distance" value="0.0001"/> | |
473 <param name="precursor_rt_tolerance" value="5.0"/> | |
474 <param name="use_known_unknowns" value="false"/> | |
475 <param name="min_transitions" value="2"/> | |
476 <param name="max_transitions" value="3"/> | |
477 <param name="cosine_similarity_threshold" value="0.98"/> | |
478 <param name="transition_threshold" value="3.0"/> | |
479 <param name="out_workspace_directory" value=""/> | |
480 <section name="deisotoping"> | |
481 <param name="use_deisotoper" value="false"/> | |
482 <param name="fragment_tolerance" value="1.0"/> | |
483 <param name="fragment_unit" value="ppm"/> | |
484 <param name="min_charge" value="1"/> | |
485 <param name="max_charge" value="1"/> | |
486 <param name="min_isopeaks" value="2"/> | |
487 <param name="max_isopeaks" value="3"/> | |
488 <param name="keep_only_deisotoped" value="false"/> | |
489 <param name="annotate_charge" value="false"/> | |
490 </section> | |
491 <section name="preprocessing"> | |
492 <param name="filter_by_num_masstraces" value="1"/> | |
493 <param name="precursor_mz_tolerance" value="10.0"/> | |
494 <param name="precursor_mz_tolerance_unit" value="ppm"/> | |
495 <param name="precursor_rt_tolerance" value="5"/> | |
496 <param name="isotope_pattern_iterations" value="3"/> | |
497 <param name="feature_only" value="true"/> | |
498 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
499 </section> | |
500 <section name="sirius"> | |
501 <param name="profile" value="qtof"/> | |
502 <param name="candidates" value="5"/> | |
503 <param name="database" value="all"/> | |
504 <param name="noise" value="0"/> | |
505 <param name="ppm_max" value="10"/> | |
506 <param name="isotope" value="both"/> | |
507 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
508 <param name="compound_timeout" value="100"/> | |
509 <param name="tree_timeout" value="0"/> | |
510 <param name="top_n_hits" value="10"/> | |
511 <param name="cores" value="1"/> | |
512 <param name="auto_charge" value="false"/> | |
513 <param name="ion_tree" value="false"/> | |
514 <param name="no_recalibration" value="false"/> | |
515 <param name="most_intense_ms2" value="false"/> | |
516 </section> | |
517 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
518 <output name="ctd_out" ftype="xml"> | |
519 <assert_contents> | |
520 <is_valid_xml/> | |
521 </assert_contents> | |
522 </output> | |
523 </test> | |
524 <test expect_num_outputs="2"> | |
525 <conditional name="adv_opts_cond"> | |
526 <param name="adv_opts_selector" value="advanced"/> | |
527 <param name="precursor_recalibration_window" value="0.1"/> | |
528 <param name="precursor_recalibration_window_unit" value="Da"/> | |
529 <param name="min_fragment_mz" value="0.0"/> | |
530 <param name="max_fragment_mz" value="2000.0"/> | |
531 <param name="force" value="false"/> | |
532 <param name="test" value="true"/> | |
533 </conditional> | |
534 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
535 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
536 <param name="out_type" value="tsv"/> | |
537 <output name="out" file="AssayGeneratorMetabo_ams_sirius_ukn_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
538 <param name="fragment_annotation" value="sirius"/> | |
539 <param name="method" value="highest_intensity"/> | |
540 <param name="use_exact_mass" value="true"/> | |
541 <param name="exclude_ms2_precursor" value="false"/> | |
542 <param name="precursor_mz_distance" value="0.0001"/> | |
543 <param name="precursor_rt_tolerance" value="5.0"/> | |
544 <param name="use_known_unknowns" value="true"/> | |
545 <param name="min_transitions" value="2"/> | |
546 <param name="max_transitions" value="3"/> | |
547 <param name="cosine_similarity_threshold" value="0.98"/> | |
548 <param name="transition_threshold" value="3.0"/> | |
549 <param name="out_workspace_directory" value=""/> | |
550 <section name="deisotoping"> | |
551 <param name="use_deisotoper" value="false"/> | |
552 <param name="fragment_tolerance" value="1.0"/> | |
553 <param name="fragment_unit" value="ppm"/> | |
554 <param name="min_charge" value="1"/> | |
555 <param name="max_charge" value="1"/> | |
556 <param name="min_isopeaks" value="2"/> | |
557 <param name="max_isopeaks" value="3"/> | |
558 <param name="keep_only_deisotoped" value="false"/> | |
559 <param name="annotate_charge" value="false"/> | |
560 </section> | |
561 <section name="preprocessing"> | |
562 <param name="filter_by_num_masstraces" value="1"/> | |
563 <param name="precursor_mz_tolerance" value="10.0"/> | |
564 <param name="precursor_mz_tolerance_unit" value="ppm"/> | |
565 <param name="precursor_rt_tolerance" value="5"/> | |
566 <param name="isotope_pattern_iterations" value="3"/> | |
567 <param name="feature_only" value="true"/> | |
568 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
569 </section> | |
570 <section name="sirius"> | |
571 <param name="profile" value="qtof"/> | |
572 <param name="candidates" value="5"/> | |
573 <param name="database" value="all"/> | |
574 <param name="noise" value="0"/> | |
575 <param name="ppm_max" value="10"/> | |
576 <param name="isotope" value="both"/> | |
577 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
578 <param name="compound_timeout" value="100"/> | |
579 <param name="tree_timeout" value="0"/> | |
580 <param name="top_n_hits" value="10"/> | |
581 <param name="cores" value="1"/> | |
582 <param name="auto_charge" value="false"/> | |
583 <param name="ion_tree" value="false"/> | |
584 <param name="no_recalibration" value="false"/> | |
585 <param name="most_intense_ms2" value="false"/> | |
586 </section> | |
587 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
588 <output name="ctd_out" ftype="xml"> | |
589 <assert_contents> | |
590 <is_valid_xml/> | |
591 </assert_contents> | |
592 </output> | |
593 </test> | |
594 <test expect_num_outputs="2"> | |
595 <conditional name="adv_opts_cond"> | |
596 <param name="adv_opts_selector" value="advanced"/> | |
597 <param name="precursor_recalibration_window" value="0.1"/> | |
598 <param name="precursor_recalibration_window_unit" value="Da"/> | |
599 <param name="min_fragment_mz" value="0.0"/> | |
600 <param name="max_fragment_mz" value="2000.0"/> | |
601 <param name="force" value="false"/> | |
602 <param name="test" value="true"/> | |
603 </conditional> | |
604 <param name="in" value="AssayGeneratorMetabo_intsort_input.mzML"/> | |
605 <param name="in_id" value="AssayGeneratorMetabo_intsort_input.featureXML"/> | |
606 <param name="out_type" value="tsv"/> | |
607 <output name="out" file="AssayGeneratorMetabo_ams_sirius_intsort_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
608 <param name="fragment_annotation" value="sirius"/> | |
609 <param name="method" value="highest_intensity"/> | |
610 <param name="use_exact_mass" value="true"/> | |
611 <param name="exclude_ms2_precursor" value="false"/> | |
612 <param name="precursor_mz_distance" value="0.0001"/> | |
613 <param name="precursor_rt_tolerance" value="5.0"/> | |
614 <param name="use_known_unknowns" value="false"/> | |
615 <param name="min_transitions" value="2"/> | |
616 <param name="max_transitions" value="3"/> | |
617 <param name="cosine_similarity_threshold" value="0.98"/> | |
618 <param name="transition_threshold" value="3.0"/> | |
619 <param name="out_workspace_directory" value=""/> | |
620 <section name="deisotoping"> | |
621 <param name="use_deisotoper" value="false"/> | |
622 <param name="fragment_tolerance" value="1.0"/> | |
623 <param name="fragment_unit" value="ppm"/> | |
624 <param name="min_charge" value="1"/> | |
625 <param name="max_charge" value="1"/> | |
626 <param name="min_isopeaks" value="2"/> | |
627 <param name="max_isopeaks" value="3"/> | |
628 <param name="keep_only_deisotoped" value="false"/> | |
629 <param name="annotate_charge" value="false"/> | |
630 </section> | |
631 <section name="preprocessing"> | |
632 <param name="filter_by_num_masstraces" value="1"/> | |
633 <param name="precursor_mz_tolerance" value="10.0"/> | |
634 <param name="precursor_mz_tolerance_unit" value="ppm"/> | |
635 <param name="precursor_rt_tolerance" value="5"/> | |
636 <param name="isotope_pattern_iterations" value="3"/> | |
637 <param name="feature_only" value="true"/> | |
638 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
639 </section> | |
640 <section name="sirius"> | |
641 <param name="profile" value="qtof"/> | |
642 <param name="candidates" value="5"/> | |
643 <param name="database" value="all"/> | |
644 <param name="noise" value="0"/> | |
645 <param name="ppm_max" value="10"/> | |
646 <param name="isotope" value="both"/> | |
647 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
648 <param name="compound_timeout" value="100"/> | |
649 <param name="tree_timeout" value="0"/> | |
650 <param name="top_n_hits" value="10"/> | |
651 <param name="cores" value="1"/> | |
652 <param name="auto_charge" value="false"/> | |
653 <param name="ion_tree" value="false"/> | |
654 <param name="no_recalibration" value="false"/> | |
655 <param name="most_intense_ms2" value="false"/> | |
656 </section> | |
657 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
658 <output name="ctd_out" ftype="xml"> | |
659 <assert_contents> | |
660 <is_valid_xml/> | |
661 </assert_contents> | |
662 </output> | |
663 </test> | |
664 <test expect_num_outputs="2"> | |
665 <conditional name="adv_opts_cond"> | |
666 <param name="adv_opts_selector" value="advanced"/> | |
667 <param name="precursor_recalibration_window" value="0.1"/> | |
668 <param name="precursor_recalibration_window_unit" value="Da"/> | |
669 <param name="min_fragment_mz" value="100.0"/> | |
670 <param name="max_fragment_mz" value="900.0"/> | |
671 <param name="force" value="false"/> | |
672 <param name="test" value="true"/> | |
673 </conditional> | |
674 <param name="in" value="AssayGeneratorMetabo_input.mzML"/> | |
675 <param name="in_id" value="AssayGeneratorMetabo_ams_input.featureXML"/> | |
676 <param name="out_type" value="tsv"/> | |
677 <output name="out" file="AssayGeneratorMetabo_ams_sirius_restrict_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
678 <param name="fragment_annotation" value="sirius"/> | |
679 <param name="method" value="highest_intensity"/> | |
680 <param name="use_exact_mass" value="true"/> | |
681 <param name="exclude_ms2_precursor" value="false"/> | |
682 <param name="precursor_mz_distance" value="0.0001"/> | |
683 <param name="precursor_rt_tolerance" value="5.0"/> | |
684 <param name="use_known_unknowns" value="false"/> | |
685 <param name="min_transitions" value="2"/> | |
686 <param name="max_transitions" value="3"/> | |
687 <param name="cosine_similarity_threshold" value="0.98"/> | |
688 <param name="transition_threshold" value="3.0"/> | |
689 <param name="out_workspace_directory" value=""/> | |
690 <section name="deisotoping"> | |
691 <param name="use_deisotoper" value="false"/> | |
692 <param name="fragment_tolerance" value="1.0"/> | |
693 <param name="fragment_unit" value="ppm"/> | |
694 <param name="min_charge" value="1"/> | |
695 <param name="max_charge" value="1"/> | |
696 <param name="min_isopeaks" value="2"/> | |
697 <param name="max_isopeaks" value="3"/> | |
698 <param name="keep_only_deisotoped" value="false"/> | |
699 <param name="annotate_charge" value="false"/> | |
700 </section> | |
701 <section name="preprocessing"> | |
702 <param name="filter_by_num_masstraces" value="1"/> | |
703 <param name="precursor_mz_tolerance" value="10.0"/> | |
704 <param name="precursor_mz_tolerance_unit" value="ppm"/> | |
705 <param name="precursor_rt_tolerance" value="5"/> | |
706 <param name="isotope_pattern_iterations" value="3"/> | |
707 <param name="feature_only" value="true"/> | |
708 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
709 </section> | |
710 <section name="sirius"> | |
711 <param name="profile" value="qtof"/> | |
712 <param name="candidates" value="5"/> | |
713 <param name="database" value="all"/> | |
714 <param name="noise" value="0"/> | |
715 <param name="ppm_max" value="10"/> | |
716 <param name="isotope" value="both"/> | |
717 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
718 <param name="compound_timeout" value="100"/> | |
719 <param name="tree_timeout" value="0"/> | |
720 <param name="top_n_hits" value="10"/> | |
721 <param name="cores" value="1"/> | |
722 <param name="auto_charge" value="false"/> | |
723 <param name="ion_tree" value="false"/> | |
724 <param name="no_recalibration" value="false"/> | |
725 <param name="most_intense_ms2" value="false"/> | |
726 </section> | |
727 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
728 <output name="ctd_out" ftype="xml"> | |
729 <assert_contents> | |
730 <is_valid_xml/> | |
731 </assert_contents> | |
732 </output> | |
733 </test> | |
734 </xml> | |
735 <xml name="autotest_BaselineFilter"> | |
736 <test expect_num_outputs="2"> | |
737 <conditional name="adv_opts_cond"> | |
738 <param name="adv_opts_selector" value="advanced"/> | |
739 <param name="force" value="false"/> | |
740 <param name="test" value="true"/> | |
741 </conditional> | |
742 <param name="in" value="BaselineFilter_input.mzML"/> | |
743 <output name="out" file="BaselineFilter_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
744 <param name="struc_elem_length" value="1.5"/> | |
745 <param name="struc_elem_unit" value="Thomson"/> | |
746 <param name="method" value="tophat"/> | |
747 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
748 <output name="ctd_out" ftype="xml"> | |
749 <assert_contents> | |
750 <is_valid_xml/> | |
751 </assert_contents> | |
752 </output> | |
753 </test> | |
754 </xml> | |
755 <xml name="autotest_ClusterMassTracesByPrecursor"> | |
756 </xml> | |
757 <xml name="autotest_ClusterMassTraces"> | |
758 </xml> | |
759 <xml name="autotest_CometAdapter"> | |
760 <test expect_num_outputs="3"> | |
761 <conditional name="adv_opts_cond"> | |
762 <param name="adv_opts_selector" value="advanced"/> | |
763 <param name="fragment_bin_tolerance" value="1.0005"/> | |
764 <param name="fragment_bin_offset" value="0.25"/> | |
765 <param name="instrument" value="high_res"/> | |
766 <param name="use_A_ions" value="false"/> | |
767 <param name="use_B_ions" value="true"/> | |
768 <param name="use_C_ions" value="false"/> | |
769 <param name="use_X_ions" value="false"/> | |
770 <param name="use_Y_ions" value="true"/> | |
771 <param name="use_Z_ions" value="false"/> | |
772 <param name="use_NL_ions" value="false"/> | |
773 <param name="digest_mass_range" value="600:5000"/> | |
774 <param name="max_precursor_charge" value="5"/> | |
775 <param name="spectrum_batch_size" value="1000"/> | |
776 <param name="mass_offsets" value="0.0"/> | |
777 <param name="minimum_peaks" value="10"/> | |
778 <param name="minimum_intensity" value="0.0"/> | |
779 <param name="remove_precursor_peak" value="no"/> | |
780 <param name="remove_precursor_tolerance" value="1.5"/> | |
781 <param name="clear_mz_range" value="0:0"/> | |
782 <param name="max_variable_mods_in_peptide" value="5"/> | |
783 <param name="require_variable_mod" value="false"/> | |
784 <param name="force" value="false"/> | |
785 <param name="test" value="true"/> | |
786 </conditional> | |
787 <param name="in" value="spectra_comet.mzML"/> | |
788 <output name="out" file="CometAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
789 <param name="database" value="proteins.fasta"/> | |
790 <output name="pin_out" file="CometAdapter_1_out2.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
791 <param name="precursor_mass_tolerance" value="3.0"/> | |
792 <param name="precursor_error_units" value="ppm"/> | |
793 <param name="isotope_error" value="off"/> | |
794 <param name="enzyme" value="Trypsin"/> | |
795 <param name="num_enzyme_termini" value="fully"/> | |
796 <param name="allowed_missed_cleavages" value="1"/> | |
797 <param name="num_hits" value="5"/> | |
798 <param name="precursor_charge" value="0:0"/> | |
799 <param name="override_charge" value="keep any known"/> | |
800 <param name="ms_level" value="2"/> | |
801 <param name="activation_method" value="ALL"/> | |
802 <param name="max_fragment_charge" value="3"/> | |
803 <param name="clip_nterm_methionine" value="false"/> | |
804 <param name="fixed_modifications" value=""/> | |
805 <param name="variable_modifications" value=""/> | |
806 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,pin_out_FLAG"/> | |
807 <output name="ctd_out" ftype="xml"> | |
808 <assert_contents> | |
809 <is_valid_xml/> | |
810 </assert_contents> | |
811 </output> | |
812 </test> | |
813 <test expect_num_outputs="3"> | |
814 <conditional name="adv_opts_cond"> | |
815 <param name="adv_opts_selector" value="advanced"/> | |
816 <param name="fragment_bin_tolerance" value="1.0005"/> | |
817 <param name="fragment_bin_offset" value="0.25"/> | |
818 <param name="instrument" value="high_res"/> | |
819 <param name="use_A_ions" value="false"/> | |
820 <param name="use_B_ions" value="true"/> | |
821 <param name="use_C_ions" value="false"/> | |
822 <param name="use_X_ions" value="false"/> | |
823 <param name="use_Y_ions" value="true"/> | |
824 <param name="use_Z_ions" value="false"/> | |
825 <param name="use_NL_ions" value="false"/> | |
826 <param name="digest_mass_range" value="600:5000"/> | |
827 <param name="max_precursor_charge" value="5"/> | |
828 <param name="spectrum_batch_size" value="1000"/> | |
829 <param name="mass_offsets" value="0.0"/> | |
830 <param name="minimum_peaks" value="10"/> | |
831 <param name="minimum_intensity" value="0.0"/> | |
832 <param name="remove_precursor_peak" value="no"/> | |
833 <param name="remove_precursor_tolerance" value="1.5"/> | |
834 <param name="clear_mz_range" value="0:0"/> | |
835 <param name="max_variable_mods_in_peptide" value="5"/> | |
836 <param name="require_variable_mod" value="false"/> | |
837 <param name="force" value="false"/> | |
838 <param name="test" value="true"/> | |
839 </conditional> | |
840 <param name="in" value="CometAdapter_2_prepared.mzML"/> | |
841 <output name="out" file="CometAdapter_2_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
842 <param name="database" value="CometAdapter_2_in.fasta"/> | |
843 <output name="pin_out" file="CometAdapter_2_out2.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
844 <param name="precursor_mass_tolerance" value="3.0"/> | |
845 <param name="precursor_error_units" value="Da"/> | |
846 <param name="isotope_error" value="off"/> | |
847 <param name="enzyme" value="Trypsin"/> | |
848 <param name="num_enzyme_termini" value="fully"/> | |
849 <param name="allowed_missed_cleavages" value="1"/> | |
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="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,pin_out_FLAG"/> | |
860 <output name="ctd_out" ftype="xml"> | |
861 <assert_contents> | |
862 <is_valid_xml/> | |
863 </assert_contents> | |
864 </output> | |
865 </test> | |
866 <test expect_num_outputs="3"> | |
867 <conditional name="adv_opts_cond"> | |
868 <param name="adv_opts_selector" value="advanced"/> | |
869 <param name="fragment_bin_tolerance" value="0.02"/> | |
870 <param name="fragment_bin_offset" value="0.0"/> | |
871 <param name="instrument" value="high_res"/> | |
872 <param name="use_A_ions" value="false"/> | |
873 <param name="use_B_ions" value="true"/> | |
874 <param name="use_C_ions" value="false"/> | |
875 <param name="use_X_ions" value="false"/> | |
876 <param name="use_Y_ions" value="true"/> | |
877 <param name="use_Z_ions" value="false"/> | |
878 <param name="use_NL_ions" value="false"/> | |
879 <param name="digest_mass_range" value="600:5000"/> | |
880 <param name="max_precursor_charge" value="5"/> | |
881 <param name="spectrum_batch_size" value="20000"/> | |
882 <param name="mass_offsets" value="0.0"/> | |
883 <param name="minimum_peaks" value="10"/> | |
884 <param name="minimum_intensity" value="0.0"/> | |
885 <param name="remove_precursor_peak" value="no"/> | |
886 <param name="remove_precursor_tolerance" value="1.5"/> | |
887 <param name="clear_mz_range" value="0:0"/> | |
888 <param name="max_variable_mods_in_peptide" value="3"/> | |
889 <param name="require_variable_mod" value="false"/> | |
890 <param name="force" value="false"/> | |
891 <param name="test" value="true"/> | |
892 </conditional> | |
893 <param name="in" value="CometAdapter_3.mzML"/> | |
894 <output name="out" file="CometAdapter_3_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
895 <param name="database" value="CometAdapter_3.fasta"/> | |
896 <output name="pin_out" file="CometAdapter_3_out2.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
897 <param name="precursor_mass_tolerance" value="5.0"/> | |
898 <param name="precursor_error_units" value="ppm"/> | |
899 <param name="isotope_error" value="off"/> | |
900 <param name="enzyme" value="Trypsin"/> | |
901 <param name="num_enzyme_termini" value="fully"/> | |
902 <param name="allowed_missed_cleavages" value="3"/> | |
903 <param name="num_hits" value="5"/> | |
904 <param name="precursor_charge" value="0:0"/> | |
905 <param name="override_charge" value="keep known search unknown"/> | |
906 <param name="ms_level" value="2"/> | |
907 <param name="activation_method" value="ALL"/> | |
908 <param name="max_fragment_charge" value="3"/> | |
909 <param name="clip_nterm_methionine" value="false"/> | |
910 <param name="fixed_modifications" value="Carbamidomethyl (C)"/> | |
911 <param name="variable_modifications" value="Acetyl (Protein N-term),Carbamidomethyl (N-term)"/> | |
912 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,pin_out_FLAG"/> | |
913 <output name="ctd_out" ftype="xml"> | |
914 <assert_contents> | |
915 <is_valid_xml/> | |
916 </assert_contents> | |
917 </output> | |
918 </test> | |
919 </xml> | |
920 <xml name="autotest_CompNovoCID"> | |
921 <test expect_num_outputs="2"> | |
922 <conditional name="adv_opts_cond"> | |
923 <param name="adv_opts_selector" value="advanced"/> | |
924 <param name="force" value="false"/> | |
925 <param name="test" value="true"/> | |
926 </conditional> | |
927 <param name="in" value="CompNovoCID_1_input.mzML"/> | |
928 <output name="out" file="CompNovoCID_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
929 <section name="algorithm"> | |
930 <param name="max_number_aa_per_decomp" value="4"/> | |
931 <param name="tryptic_only" value="true"/> | |
932 <param name="precursor_mass_tolerance" value="0.3"/> | |
933 <param name="fragment_mass_tolerance" value="0.3"/> | |
934 <param name="max_number_pivot" value="9"/> | |
935 <param name="max_subscore_number" value="40"/> | |
936 <param name="decomp_weights_precision" value="0.01"/> | |
937 <param name="double_charged_iso_threshold" value="0.6"/> | |
938 <param name="max_mz" value="2000.0"/> | |
939 <param name="min_mz" value="200.0"/> | |
940 <param name="max_isotope_to_score" value="3"/> | |
941 <param name="max_decomp_weight" value="450.0"/> | |
942 <param name="max_isotope" value="3"/> | |
943 <param name="missed_cleavages" value="1"/> | |
944 <param name="number_of_hits" value="1"/> | |
945 <param name="estimate_precursor_mz" value="true"/> | |
946 <param name="number_of_prescoring_hits" value="250"/> | |
947 <param name="fixed_modifications" value=""/> | |
948 <param name="variable_modifications" value=""/> | |
949 <param name="residue_set" value="Natural19WithoutI"/> | |
950 </section> | |
951 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
952 <output name="ctd_out" ftype="xml"> | |
953 <assert_contents> | |
954 <is_valid_xml/> | |
955 </assert_contents> | |
956 </output> | |
957 </test> | |
958 </xml> | |
959 <xml name="autotest_CompNovo"> | |
960 <test expect_num_outputs="2"> | |
961 <conditional name="adv_opts_cond"> | |
962 <param name="adv_opts_selector" value="advanced"/> | |
963 <param name="force" value="false"/> | |
964 <param name="test" value="true"/> | |
965 </conditional> | |
966 <param name="in" value="CompNovo_1_input.mzML"/> | |
967 <output name="out" file="CompNovo_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
968 <section name="algorithm"> | |
969 <param name="max_number_aa_per_decomp" value="4"/> | |
970 <param name="tryptic_only" value="true"/> | |
971 <param name="precursor_mass_tolerance" value="0.3"/> | |
972 <param name="fragment_mass_tolerance" value="0.3"/> | |
973 <param name="max_number_pivot" value="9"/> | |
974 <param name="max_subscore_number" value="40"/> | |
975 <param name="decomp_weights_precision" value="0.01"/> | |
976 <param name="double_charged_iso_threshold" value="0.6"/> | |
977 <param name="max_mz" value="2000.0"/> | |
978 <param name="min_mz" value="200.0"/> | |
979 <param name="max_isotope_to_score" value="3"/> | |
980 <param name="max_decomp_weight" value="450.0"/> | |
981 <param name="max_isotope" value="3"/> | |
982 <param name="missed_cleavages" value="1"/> | |
983 <param name="number_of_hits" value="1"/> | |
984 <param name="estimate_precursor_mz" value="true"/> | |
985 <param name="number_of_prescoring_hits" value="250"/> | |
986 <param name="fixed_modifications" value=""/> | |
987 <param name="variable_modifications" value=""/> | |
988 <param name="residue_set" value="Natural19WithoutI"/> | |
989 </section> | |
990 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
991 <output name="ctd_out" ftype="xml"> | |
992 <assert_contents> | |
993 <is_valid_xml/> | |
994 </assert_contents> | |
995 </output> | |
996 </test> | |
997 </xml> | |
998 <xml name="autotest_ConsensusID"> | |
999 <test expect_num_outputs="2"> | |
1000 <conditional name="adv_opts_cond"> | |
1001 <param name="adv_opts_selector" value="advanced"/> | |
1002 <param name="force" value="false"/> | |
1003 <param name="test" value="true"/> | |
1004 </conditional> | |
1005 <param name="in" value="ConsensusID_1_input.idXML"/> | |
1006 <output name="out" file="ConsensusID_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1007 <param name="rt_delta" value="0.1"/> | |
1008 <param name="mz_delta" value="0.1"/> | |
1009 <param name="algorithm" value="PEPMatrix"/> | |
1010 <section name="filter"> | |
1011 <param name="considered_hits" value="0"/> | |
1012 <param name="min_support" value="0.0"/> | |
1013 <param name="count_empty" value="false"/> | |
1014 </section> | |
1015 <section name="PEPIons"> | |
1016 <param name="mass_tolerance" value="0.5"/> | |
1017 <param name="min_shared" value="2"/> | |
1018 </section> | |
1019 <section name="PEPMatrix"> | |
1020 <param name="matrix" value="PAM30MS"/> | |
1021 <param name="penalty" value="5"/> | |
1022 </section> | |
1023 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1024 <output name="ctd_out" ftype="xml"> | |
1025 <assert_contents> | |
1026 <is_valid_xml/> | |
1027 </assert_contents> | |
1028 </output> | |
1029 </test> | |
1030 <test expect_num_outputs="2"> | |
1031 <conditional name="adv_opts_cond"> | |
1032 <param name="adv_opts_selector" value="advanced"/> | |
1033 <param name="force" value="false"/> | |
1034 <param name="test" value="true"/> | |
1035 </conditional> | |
1036 <param name="in" value="ConsensusID_2_input.featureXML"/> | |
1037 <output name="out" file="ConsensusID_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
1038 <param name="rt_delta" value="0.1"/> | |
1039 <param name="mz_delta" value="0.1"/> | |
1040 <param name="algorithm" value="average"/> | |
1041 <section name="filter"> | |
1042 <param name="considered_hits" value="0"/> | |
1043 <param name="min_support" value="0.0"/> | |
1044 <param name="count_empty" value="false"/> | |
1045 </section> | |
1046 <section name="PEPIons"> | |
1047 <param name="mass_tolerance" value="0.5"/> | |
1048 <param name="min_shared" value="2"/> | |
1049 </section> | |
1050 <section name="PEPMatrix"> | |
1051 <param name="matrix" value="identity"/> | |
1052 <param name="penalty" value="5"/> | |
1053 </section> | |
1054 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1055 <output name="ctd_out" ftype="xml"> | |
1056 <assert_contents> | |
1057 <is_valid_xml/> | |
1058 </assert_contents> | |
1059 </output> | |
1060 </test> | |
1061 <test expect_num_outputs="2"> | |
1062 <conditional name="adv_opts_cond"> | |
1063 <param name="adv_opts_selector" value="advanced"/> | |
1064 <param name="force" value="false"/> | |
1065 <param name="test" value="true"/> | |
1066 </conditional> | |
1067 <param name="in" value="ConsensusID_3_input.consensusXML"/> | |
1068 <output name="out" file="ConsensusID_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1069 <param name="rt_delta" value="0.1"/> | |
1070 <param name="mz_delta" value="0.1"/> | |
1071 <param name="algorithm" value="best"/> | |
1072 <section name="filter"> | |
1073 <param name="considered_hits" value="0"/> | |
1074 <param name="min_support" value="0.0"/> | |
1075 <param name="count_empty" value="false"/> | |
1076 </section> | |
1077 <section name="PEPIons"> | |
1078 <param name="mass_tolerance" value="0.5"/> | |
1079 <param name="min_shared" value="2"/> | |
1080 </section> | |
1081 <section name="PEPMatrix"> | |
1082 <param name="matrix" value="identity"/> | |
1083 <param name="penalty" value="5"/> | |
1084 </section> | |
1085 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1086 <output name="ctd_out" ftype="xml"> | |
1087 <assert_contents> | |
1088 <is_valid_xml/> | |
1089 </assert_contents> | |
1090 </output> | |
1091 </test> | |
1092 <test expect_num_outputs="2"> | |
1093 <conditional name="adv_opts_cond"> | |
1094 <param name="adv_opts_selector" value="advanced"/> | |
1095 <param name="force" value="false"/> | |
1096 <param name="test" value="true"/> | |
1097 </conditional> | |
1098 <param name="in" value="ConsensusID_1_input.idXML"/> | |
1099 <output name="out" file="ConsensusID_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1100 <param name="rt_delta" value="0.1"/> | |
1101 <param name="mz_delta" value="0.1"/> | |
1102 <param name="algorithm" value="PEPMatrix"/> | |
1103 <section name="filter"> | |
1104 <param name="considered_hits" value="6"/> | |
1105 <param name="min_support" value="0.0"/> | |
1106 <param name="count_empty" value="false"/> | |
1107 </section> | |
1108 <section name="PEPIons"> | |
1109 <param name="mass_tolerance" value="0.5"/> | |
1110 <param name="min_shared" value="2"/> | |
1111 </section> | |
1112 <section name="PEPMatrix"> | |
1113 <param name="matrix" value="identity"/> | |
1114 <param name="penalty" value="5"/> | |
1115 </section> | |
1116 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1117 <output name="ctd_out" ftype="xml"> | |
1118 <assert_contents> | |
1119 <is_valid_xml/> | |
1120 </assert_contents> | |
1121 </output> | |
1122 </test> | |
1123 <test expect_num_outputs="2"> | |
1124 <conditional name="adv_opts_cond"> | |
1125 <param name="adv_opts_selector" value="advanced"/> | |
1126 <param name="force" value="false"/> | |
1127 <param name="test" value="true"/> | |
1128 </conditional> | |
1129 <param name="in" value="ConsensusID_1_input.idXML"/> | |
1130 <output name="out" file="ConsensusID_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1131 <param name="rt_delta" value="0.1"/> | |
1132 <param name="mz_delta" value="0.1"/> | |
1133 <param name="algorithm" value="PEPIons"/> | |
1134 <section name="filter"> | |
1135 <param name="considered_hits" value="0"/> | |
1136 <param name="min_support" value="0.0"/> | |
1137 <param name="count_empty" value="false"/> | |
1138 </section> | |
1139 <section name="PEPIons"> | |
1140 <param name="mass_tolerance" value="0.5"/> | |
1141 <param name="min_shared" value="2"/> | |
1142 </section> | |
1143 <section name="PEPMatrix"> | |
1144 <param name="matrix" value="identity"/> | |
1145 <param name="penalty" value="5"/> | |
1146 </section> | |
1147 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1148 <output name="ctd_out" ftype="xml"> | |
1149 <assert_contents> | |
1150 <is_valid_xml/> | |
1151 </assert_contents> | |
1152 </output> | |
1153 </test> | |
1154 <test expect_num_outputs="2"> | |
1155 <conditional name="adv_opts_cond"> | |
1156 <param name="adv_opts_selector" value="advanced"/> | |
1157 <param name="force" value="false"/> | |
1158 <param name="test" value="true"/> | |
1159 </conditional> | |
1160 <param name="in" value="ConsensusID_1_input.idXML"/> | |
1161 <output name="out" file="ConsensusID_6_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1162 <param name="rt_delta" value="0.1"/> | |
1163 <param name="mz_delta" value="0.1"/> | |
1164 <param name="algorithm" value="best"/> | |
1165 <section name="filter"> | |
1166 <param name="considered_hits" value="0"/> | |
1167 <param name="min_support" value="0.5"/> | |
1168 <param name="count_empty" value="false"/> | |
1169 </section> | |
1170 <section name="PEPIons"> | |
1171 <param name="mass_tolerance" value="0.5"/> | |
1172 <param name="min_shared" value="2"/> | |
1173 </section> | |
1174 <section name="PEPMatrix"> | |
1175 <param name="matrix" value="identity"/> | |
1176 <param name="penalty" value="5"/> | |
1177 </section> | |
1178 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1179 <output name="ctd_out" ftype="xml"> | |
1180 <assert_contents> | |
1181 <is_valid_xml/> | |
1182 </assert_contents> | |
1183 </output> | |
1184 </test> | |
1185 </xml> | |
1186 <xml name="autotest_ConsensusMapNormalizer"> | |
1187 <test expect_num_outputs="2"> | |
1188 <conditional name="adv_opts_cond"> | |
1189 <param name="adv_opts_selector" value="advanced"/> | |
1190 <param name="accession_filter" value=""/> | |
1191 <param name="description_filter" value=""/> | |
1192 <param name="force" value="false"/> | |
1193 <param name="test" value="true"/> | |
1194 </conditional> | |
1195 <param name="in" value="ConsensusMapNormalizer_input.consensusXML"/> | |
1196 <output name="out" file="ConsensusMapNormalizer_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1197 <param name="algorithm_type" value="robust_regression"/> | |
1198 <param name="ratio_threshold" value="0.67"/> | |
1199 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1200 <output name="ctd_out" ftype="xml"> | |
1201 <assert_contents> | |
1202 <is_valid_xml/> | |
1203 </assert_contents> | |
1204 </output> | |
1205 </test> | |
1206 </xml> | |
1207 <xml name="autotest_CruxAdapter"> | |
1208 <test expect_num_outputs="2"> | |
1209 <conditional name="adv_opts_cond"> | |
1210 <param name="adv_opts_selector" value="advanced"/> | |
1211 <param name="custom_enzyme" value=""/> | |
1212 <param name="decoy_prefix" value="decoy_"/> | |
1213 <param name="deisotope" value="false"/> | |
1214 <param name="report_decoys" value="false"/> | |
1215 <param name="force" value="false"/> | |
1216 <param name="test" value="true"/> | |
1217 </conditional> | |
1218 <param name="in" value="spectra_comet.mzML"/> | |
1219 <output name="out" file="CruxAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1220 <param name="database" value="proteins.fasta"/> | |
1221 <param name="extra_index_args" value=""/> | |
1222 <param name="extra_search_args" value=""/> | |
1223 <param name="extra_percolator_args" value=""/> | |
1224 <param name="precursor_mass_tolerance" value="10.0"/> | |
1225 <param name="precursor_mass_units" value="ppm"/> | |
1226 <param name="fragment_bin_offset" value="0.0"/> | |
1227 <param name="fragment_bin_width" value="0.02"/> | |
1228 <param name="isotope_error" value=""/> | |
1229 <param name="run_percolator" value="false"/> | |
1230 <param name="enzyme" value="trypsin"/> | |
1231 <param name="digestion" value="full-digest"/> | |
1232 <param name="allowed_missed_cleavages" value="0"/> | |
1233 <param name="decoy_format" value="shuffle"/> | |
1234 <param name="keep_terminal_aminos" value="NC"/> | |
1235 <param name="cterm_modifications" value=""/> | |
1236 <param name="nterm_modifications" value=""/> | |
1237 <param name="modifications" value=""/> | |
1238 <param name="test_fdr" value="0.01"/> | |
1239 <param name="train_fdr" value="0.01"/> | |
1240 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1241 <output name="ctd_out" ftype="xml"> | |
1242 <assert_contents> | |
1243 <is_valid_xml/> | |
1244 </assert_contents> | |
1245 </output> | |
1246 </test> | |
1247 </xml> | |
1248 <xml name="autotest_CVInspector"> | |
1249 </xml> | |
1250 <xml name="autotest_DatabaseFilter"> | |
1251 <test expect_num_outputs="2"> | |
1252 <conditional name="adv_opts_cond"> | |
1253 <param name="adv_opts_selector" value="advanced"/> | |
1254 <param name="force" value="false"/> | |
1255 <param name="test" value="true"/> | |
1256 </conditional> | |
1257 <param name="in" value="DatabaseFilter_1.fasta"/> | |
1258 <param name="id" value="DatabaseFilter_1.idXML"/> | |
1259 <param name="method" value="whitelist"/> | |
1260 <output name="out" file="DatabaseFilter_1_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1261 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1262 <output name="ctd_out" ftype="xml"> | |
1263 <assert_contents> | |
1264 <is_valid_xml/> | |
1265 </assert_contents> | |
1266 </output> | |
1267 </test> | |
1268 <test expect_num_outputs="2"> | |
1269 <conditional name="adv_opts_cond"> | |
1270 <param name="adv_opts_selector" value="advanced"/> | |
1271 <param name="force" value="false"/> | |
1272 <param name="test" value="true"/> | |
1273 </conditional> | |
1274 <param name="in" value="DatabaseFilter_1.fasta"/> | |
1275 <param name="id" value="DatabaseFilter_1.idXML"/> | |
1276 <param name="method" value="blacklist"/> | |
1277 <output name="out" file="DatabaseFilter_2_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1278 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1279 <output name="ctd_out" ftype="xml"> | |
1280 <assert_contents> | |
1281 <is_valid_xml/> | |
1282 </assert_contents> | |
1283 </output> | |
1284 </test> | |
1285 <test expect_num_outputs="2"> | |
1286 <conditional name="adv_opts_cond"> | |
1287 <param name="adv_opts_selector" value="advanced"/> | |
1288 <param name="force" value="false"/> | |
1289 <param name="test" value="true"/> | |
1290 </conditional> | |
1291 <param name="in" value="DatabaseFilter_3.fasta"/> | |
1292 <param name="id" value="DatabaseFilter_3.mzid"/> | |
1293 <param name="method" value="whitelist"/> | |
1294 <output name="out" file="DatabaseFilter_3_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1295 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1296 <output name="ctd_out" ftype="xml"> | |
1297 <assert_contents> | |
1298 <is_valid_xml/> | |
1299 </assert_contents> | |
1300 </output> | |
1301 </test> | |
1302 <test expect_num_outputs="2"> | |
1303 <conditional name="adv_opts_cond"> | |
1304 <param name="adv_opts_selector" value="advanced"/> | |
1305 <param name="force" value="false"/> | |
1306 <param name="test" value="true"/> | |
1307 </conditional> | |
1308 <param name="in" value="DatabaseFilter_3.fasta"/> | |
1309 <param name="id" value="DatabaseFilter_3.mzid"/> | |
1310 <param name="method" value="blacklist"/> | |
1311 <output name="out" file="DatabaseFilter_4_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1312 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1313 <output name="ctd_out" ftype="xml"> | |
1314 <assert_contents> | |
1315 <is_valid_xml/> | |
1316 </assert_contents> | |
1317 </output> | |
1318 </test> | |
1319 </xml> | |
1320 <xml name="autotest_Decharger"> | |
1321 <test expect_num_outputs="4"> | |
1322 <conditional name="adv_opts_cond"> | |
1323 <param name="adv_opts_selector" value="advanced"/> | |
1324 <param name="force" value="false"/> | |
1325 <param name="test" value="true"/> | |
1326 </conditional> | |
1327 <param name="in" value="Decharger_input.featureXML"/> | |
1328 <output name="out_cm" file="Decharger_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1329 <output name="out_fm" file="Decharger_output_fm.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
1330 <output name="outpairs" file="Decharger_p_output.tmp" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
1331 <section name="algorithm"> | |
1332 <section name="FeatureDeconvolution"> | |
1333 <param name="charge_min" value="1"/> | |
1334 <param name="charge_max" value="10"/> | |
1335 <param name="charge_span_max" value="4"/> | |
1336 <param name="q_try" value="feature"/> | |
1337 <param name="retention_max_diff" value="1.0"/> | |
1338 <param name="retention_max_diff_local" value="1.0"/> | |
1339 <param name="mass_max_diff" value="0.1"/> | |
1340 <param name="potential_adducts" value=""H:+:0.7" "Na:+:0.1" "(2)H4H-4:0:0.1:-2:heavy""/> | |
1341 <param name="max_neutrals" value="0"/> | |
1342 <param name="max_minority_bound" value="2"/> | |
1343 <param name="min_rt_overlap" value="0.66"/> | |
1344 <param name="intensity_filter" value="false"/> | |
1345 <param name="negative_mode" value="false"/> | |
1346 <param name="default_map_label" value="decharged features"/> | |
1347 <param name="verbose_level" value="0"/> | |
1348 </section> | |
1349 </section> | |
1350 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_fm_FLAG,outpairs_FLAG"/> | |
1351 <output name="ctd_out" ftype="xml"> | |
1352 <assert_contents> | |
1353 <is_valid_xml/> | |
1354 </assert_contents> | |
1355 </output> | |
1356 </test> | |
1357 </xml> | |
1358 <xml name="autotest_DecoyDatabase"> | |
1359 <test expect_num_outputs="2"> | |
1360 <conditional name="adv_opts_cond"> | |
1361 <param name="adv_opts_selector" value="advanced"/> | |
1362 <param name="shuffle_max_attempts" value="30"/> | |
1363 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
1364 <param name="seed" value="1"/> | |
1365 <param name="force" value="false"/> | |
1366 <param name="test" value="true"/> | |
1367 </conditional> | |
1368 <param name="in" value="DecoyDatabase_1.fasta"/> | |
1369 <output name="out" file="DecoyDatabase_1_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1370 <param name="decoy_string" value="DECOY_"/> | |
1371 <param name="decoy_string_position" value="prefix"/> | |
1372 <param name="only_decoy" value="true"/> | |
1373 <param name="type" value="protein"/> | |
1374 <param name="method" value="reverse"/> | |
1375 <param name="enzyme" value="Trypsin"/> | |
1376 <section name="Decoy"> | |
1377 <param name="non_shuffle_pattern" value=""/> | |
1378 <param name="keepPeptideNTerm" value="true"/> | |
1379 <param name="keepPeptideCTerm" value="true"/> | |
1380 </section> | |
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 <test expect_num_outputs="2"> | |
1389 <conditional name="adv_opts_cond"> | |
1390 <param name="adv_opts_selector" value="advanced"/> | |
1391 <param name="shuffle_max_attempts" value="30"/> | |
1392 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
1393 <param name="seed" value="42"/> | |
1394 <param name="force" value="false"/> | |
1395 <param name="test" value="true"/> | |
1396 </conditional> | |
1397 <param name="in" value="DecoyDatabase_1.fasta"/> | |
1398 <output name="out" file="DecoyDatabase_2_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1399 <param name="decoy_string" value="blabla"/> | |
1400 <param name="decoy_string_position" value="prefix"/> | |
1401 <param name="only_decoy" value="false"/> | |
1402 <param name="type" value="protein"/> | |
1403 <param name="method" value="shuffle"/> | |
1404 <param name="enzyme" value="Trypsin"/> | |
1405 <section name="Decoy"> | |
1406 <param name="non_shuffle_pattern" value="KRP"/> | |
1407 <param name="keepPeptideNTerm" value="true"/> | |
1408 <param name="keepPeptideCTerm" value="true"/> | |
1409 </section> | |
1410 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1411 <output name="ctd_out" ftype="xml"> | |
1412 <assert_contents> | |
1413 <is_valid_xml/> | |
1414 </assert_contents> | |
1415 </output> | |
1416 </test> | |
1417 <test expect_num_outputs="2"> | |
1418 <conditional name="adv_opts_cond"> | |
1419 <param name="adv_opts_selector" value="advanced"/> | |
1420 <param name="shuffle_max_attempts" value="30"/> | |
1421 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
1422 <param name="seed" value="42"/> | |
1423 <param name="force" value="false"/> | |
1424 <param name="test" value="true"/> | |
1425 </conditional> | |
1426 <param name="in" value="DecoyDatabase_1.fasta"/> | |
1427 <output name="out" file="DecoyDatabase_3_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1428 <param name="decoy_string" value="blabla"/> | |
1429 <param name="decoy_string_position" value="prefix"/> | |
1430 <param name="only_decoy" value="false"/> | |
1431 <param name="type" value="protein"/> | |
1432 <param name="method" value="shuffle"/> | |
1433 <param name="enzyme" value="Chymotrypsin"/> | |
1434 <section name="Decoy"> | |
1435 <param name="non_shuffle_pattern" value="KR"/> | |
1436 <param name="keepPeptideNTerm" value="true"/> | |
1437 <param name="keepPeptideCTerm" value="true"/> | |
1438 </section> | |
1439 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1440 <output name="ctd_out" ftype="xml"> | |
1441 <assert_contents> | |
1442 <is_valid_xml/> | |
1443 </assert_contents> | |
1444 </output> | |
1445 </test> | |
1446 <test expect_num_outputs="2"> | |
1447 <conditional name="adv_opts_cond"> | |
1448 <param name="adv_opts_selector" value="advanced"/> | |
1449 <param name="shuffle_max_attempts" value="30"/> | |
1450 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
1451 <param name="seed" value="42"/> | |
1452 <param name="force" value="false"/> | |
1453 <param name="test" value="true"/> | |
1454 </conditional> | |
1455 <param name="in" value="DecoyDatabase_4.fasta"/> | |
1456 <output name="out" file="DecoyDatabase_4_out.fasta" compare="sim_size" delta="5700" ftype="fasta"/> | |
1457 <param name="decoy_string" value="blabla"/> | |
1458 <param name="decoy_string_position" value="prefix"/> | |
1459 <param name="only_decoy" value="false"/> | |
1460 <param name="type" value="RNA"/> | |
1461 <param name="method" value="reverse"/> | |
1462 <param name="enzyme" value="Trypsin"/> | |
1463 <section name="Decoy"> | |
1464 <param name="non_shuffle_pattern" value=""/> | |
1465 <param name="keepPeptideNTerm" value="true"/> | |
1466 <param name="keepPeptideCTerm" value="true"/> | |
1467 </section> | |
1468 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1469 <output name="ctd_out" ftype="xml"> | |
1470 <assert_contents> | |
1471 <is_valid_xml/> | |
1472 </assert_contents> | |
1473 </output> | |
1474 </test> | |
1475 </xml> | |
1476 <xml name="autotest_DeMeanderize"> | |
1477 </xml> | |
1478 <xml name="autotest_DTAExtractor"> | |
1479 <test expect_num_outputs="1"> | |
1480 <conditional name="adv_opts_cond"> | |
1481 <param name="adv_opts_selector" value="advanced"/> | |
1482 <param name="force" value="false"/> | |
1483 <param name="test" value="true"/> | |
1484 </conditional> | |
1485 <param name="in" value="DTAExtractor_1_input.mzML"/> | |
1486 <param name="out" value="DTAExtractor"/> | |
1487 <param name="mz" value=":"/> | |
1488 <param name="rt" value=":61"/> | |
1489 <param name="level" value="1,2,3"/> | |
1490 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1491 <output name="ctd_out" ftype="xml"> | |
1492 <assert_contents> | |
1493 <is_valid_xml/> | |
1494 </assert_contents> | |
1495 </output> | |
1496 </test> | |
1497 <test expect_num_outputs="1"> | |
1498 <conditional name="adv_opts_cond"> | |
1499 <param name="adv_opts_selector" value="advanced"/> | |
1500 <param name="force" value="false"/> | |
1501 <param name="test" value="true"/> | |
1502 </conditional> | |
1503 <param name="in" value="DTAExtractor_1_input.mzML"/> | |
1504 <param name="out" value="DTAExtractor"/> | |
1505 <param name="mz" value=":"/> | |
1506 <param name="rt" value=":"/> | |
1507 <param name="level" value="1"/> | |
1508 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1509 <output name="ctd_out" ftype="xml"> | |
1510 <assert_contents> | |
1511 <is_valid_xml/> | |
1512 </assert_contents> | |
1513 </output> | |
1514 </test> | |
1515 <test expect_num_outputs="1"> | |
1516 <conditional name="adv_opts_cond"> | |
1517 <param name="adv_opts_selector" value="advanced"/> | |
1518 <param name="force" value="false"/> | |
1519 <param name="test" value="true"/> | |
1520 </conditional> | |
1521 <param name="in" value="DTAExtractor_1_input.mzML"/> | |
1522 <param name="out" value="DTAExtractor"/> | |
1523 <param name="mz" value=":1000"/> | |
1524 <param name="rt" value=":"/> | |
1525 <param name="level" value="2"/> | |
1526 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1527 <output name="ctd_out" ftype="xml"> | |
1528 <assert_contents> | |
1529 <is_valid_xml/> | |
1530 </assert_contents> | |
1531 </output> | |
1532 </test> | |
1533 </xml> | |
1534 <xml name="autotest_EICExtractor"> | |
1535 </xml> | |
1536 <xml name="autotest_Epifany"> | |
1537 <test expect_num_outputs="2"> | |
1538 <conditional name="adv_opts_cond"> | |
1539 <param name="adv_opts_selector" value="advanced"/> | |
1540 <param name="conservative_fdr" value="true"/> | |
1541 <param name="min_psms_extreme_probability" value="0.0"/> | |
1542 <param name="force" value="false"/> | |
1543 <param name="test" value="true"/> | |
1544 </conditional> | |
1545 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
1546 <output name="out" file="Epifany_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1547 <param name="protein_fdr" value="false"/> | |
1548 <param name="greedy_group_resolution" value="none"/> | |
1549 <param name="max_psms_extreme_probability" value="1.0"/> | |
1550 <section name="algorithm"> | |
1551 <param name="psm_probability_cutoff" value="0.001"/> | |
1552 <param name="top_PSMs" value="1"/> | |
1553 <param name="update_PSM_probabilities" value="true"/> | |
1554 <param name="user_defined_priors" value="false"/> | |
1555 <param name="annotate_group_probabilities" value="true"/> | |
1556 <param name="use_ids_outside_features" value="false"/> | |
1557 <section name="model_parameters"> | |
1558 <param name="prot_prior" value="0.7"/> | |
1559 <param name="pep_emission" value="0.1"/> | |
1560 <param name="pep_spurious_emission" value="0.001"/> | |
1561 <param name="pep_prior" value="0.1"/> | |
1562 <param name="regularize" value="false"/> | |
1563 <param name="extended_model" value="false"/> | |
1564 </section> | |
1565 <section name="loopy_belief_propagation"> | |
1566 <param name="scheduling_type" value="priority"/> | |
1567 <param name="convergence_threshold" value="1e-05"/> | |
1568 <param name="dampening_lambda" value="0.001"/> | |
1569 <param name="max_nr_iterations" value="2147483647"/> | |
1570 <param name="p_norm_inference" value="1.0"/> | |
1571 </section> | |
1572 <section name="param_optimize"> | |
1573 <param name="aucweight" value="0.3"/> | |
1574 <param name="conservative_fdr" value="true"/> | |
1575 </section> | |
1576 </section> | |
1577 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1578 <output name="ctd_out" ftype="xml"> | |
1579 <assert_contents> | |
1580 <is_valid_xml/> | |
1581 </assert_contents> | |
1582 </output> | |
1583 </test> | |
1584 </xml> | |
1585 <xml name="autotest_ERPairFinder"> | |
1586 </xml> | |
1587 <xml name="autotest_ExternalCalibration"> | |
1588 <test expect_num_outputs="2"> | |
1589 <conditional name="adv_opts_cond"> | |
1590 <param name="adv_opts_selector" value="advanced"/> | |
1591 <param name="force" value="false"/> | |
1592 <param name="test" value="true"/> | |
1593 </conditional> | |
1594 <param name="in" value="ExternalCalibration_1_input.mzML"/> | |
1595 <output name="out" file="ExternalCalibration_1_MS1_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
1596 <param name="offset" value="-5.5"/> | |
1597 <param name="slope" value="0.0001"/> | |
1598 <param name="power" value="0.0"/> | |
1599 <param name="ms_level" value="1"/> | |
1600 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1601 <output name="ctd_out" ftype="xml"> | |
1602 <assert_contents> | |
1603 <is_valid_xml/> | |
1604 </assert_contents> | |
1605 </output> | |
1606 </test> | |
1607 <test expect_num_outputs="2"> | |
1608 <conditional name="adv_opts_cond"> | |
1609 <param name="adv_opts_selector" value="advanced"/> | |
1610 <param name="force" value="false"/> | |
1611 <param name="test" value="true"/> | |
1612 </conditional> | |
1613 <param name="in" value="ExternalCalibration_1_input.mzML"/> | |
1614 <output name="out" file="ExternalCalibration_2_MS2_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
1615 <param name="offset" value="-5.5"/> | |
1616 <param name="slope" value="0.0001"/> | |
1617 <param name="power" value="0.0"/> | |
1618 <param name="ms_level" value="2"/> | |
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 </xml> | |
1627 <xml name="autotest_FalseDiscoveryRate"> | |
1628 <test expect_num_outputs="2"> | |
1629 <conditional name="adv_opts_cond"> | |
1630 <param name="adv_opts_selector" value="advanced"/> | |
1631 <param name="force" value="false"/> | |
1632 <param name="test" value="true"/> | |
1633 </conditional> | |
1634 <param name="in" value="FalseDiscoveryRate_OMSSA.idXML"/> | |
1635 <output name="out" file="FalseDiscoveryRate_output_1.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1636 <param name="PSM" value="true"/> | |
1637 <param name="protein" value="false"/> | |
1638 <section name="FDR"> | |
1639 <param name="PSM" value="1.0"/> | |
1640 <param name="protein" value="1.0"/> | |
1641 <section name="cleanup"> | |
1642 <param name="remove_proteins_without_psms" value="true"/> | |
1643 <param name="remove_psms_without_proteins" value="true"/> | |
1644 <param name="remove_spectra_without_psms" value="true"/> | |
1645 </section> | |
1646 </section> | |
1647 <section name="algorithm"> | |
1648 <param name="no_qvalues" value="false"/> | |
1649 <param name="use_all_hits" value="false"/> | |
1650 <param name="split_charge_variants" value="false"/> | |
1651 <param name="treat_runs_separately" value="false"/> | |
1652 <param name="add_decoy_peptides" value="false"/> | |
1653 <param name="add_decoy_proteins" value="false"/> | |
1654 <param name="conservative" value="true"/> | |
1655 </section> | |
1656 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1657 <output name="ctd_out" ftype="xml"> | |
1658 <assert_contents> | |
1659 <is_valid_xml/> | |
1660 </assert_contents> | |
1661 </output> | |
1662 </test> | |
1663 <test expect_num_outputs="2"> | |
1664 <conditional name="adv_opts_cond"> | |
1665 <param name="adv_opts_selector" value="advanced"/> | |
1666 <param name="force" value="false"/> | |
1667 <param name="test" value="true"/> | |
1668 </conditional> | |
1669 <param name="in" value="FalseDiscoveryRate_OMSSA.idXML"/> | |
1670 <output name="out" file="FalseDiscoveryRate_output_2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1671 <param name="PSM" value="true"/> | |
1672 <param name="protein" value="false"/> | |
1673 <section name="FDR"> | |
1674 <param name="PSM" value="1.0"/> | |
1675 <param name="protein" value="1.0"/> | |
1676 <section name="cleanup"> | |
1677 <param name="remove_proteins_without_psms" value="true"/> | |
1678 <param name="remove_psms_without_proteins" value="true"/> | |
1679 <param name="remove_spectra_without_psms" value="true"/> | |
1680 </section> | |
1681 </section> | |
1682 <section name="algorithm"> | |
1683 <param name="no_qvalues" value="false"/> | |
1684 <param name="use_all_hits" value="false"/> | |
1685 <param name="split_charge_variants" value="false"/> | |
1686 <param name="treat_runs_separately" value="true"/> | |
1687 <param name="add_decoy_peptides" value="false"/> | |
1688 <param name="add_decoy_proteins" value="false"/> | |
1689 <param name="conservative" value="true"/> | |
1690 </section> | |
1691 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1692 <output name="ctd_out" ftype="xml"> | |
1693 <assert_contents> | |
1694 <is_valid_xml/> | |
1695 </assert_contents> | |
1696 </output> | |
1697 </test> | |
1698 <test expect_num_outputs="2"> | |
1699 <conditional name="adv_opts_cond"> | |
1700 <param name="adv_opts_selector" value="advanced"/> | |
1701 <param name="force" value="false"/> | |
1702 <param name="test" value="true"/> | |
1703 </conditional> | |
1704 <param name="in" value="FalseDiscoveryRate_OMSSA.idXML"/> | |
1705 <output name="out" file="FalseDiscoveryRate_output_3.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1706 <param name="PSM" value="true"/> | |
1707 <param name="protein" value="false"/> | |
1708 <section name="FDR"> | |
1709 <param name="PSM" value="1.0"/> | |
1710 <param name="protein" value="1.0"/> | |
1711 <section name="cleanup"> | |
1712 <param name="remove_proteins_without_psms" value="true"/> | |
1713 <param name="remove_psms_without_proteins" value="true"/> | |
1714 <param name="remove_spectra_without_psms" value="true"/> | |
1715 </section> | |
1716 </section> | |
1717 <section name="algorithm"> | |
1718 <param name="no_qvalues" value="false"/> | |
1719 <param name="use_all_hits" value="false"/> | |
1720 <param name="split_charge_variants" value="true"/> | |
1721 <param name="treat_runs_separately" value="false"/> | |
1722 <param name="add_decoy_peptides" value="false"/> | |
1723 <param name="add_decoy_proteins" value="false"/> | |
1724 <param name="conservative" value="true"/> | |
1725 </section> | |
1726 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1727 <output name="ctd_out" ftype="xml"> | |
1728 <assert_contents> | |
1729 <is_valid_xml/> | |
1730 </assert_contents> | |
1731 </output> | |
1732 </test> | |
1733 <test expect_num_outputs="2"> | |
1734 <conditional name="adv_opts_cond"> | |
1735 <param name="adv_opts_selector" value="advanced"/> | |
1736 <param name="force" value="false"/> | |
1737 <param name="test" value="true"/> | |
1738 </conditional> | |
1739 <param name="in" value="FalseDiscoveryRate_OMSSA_4.idXML"/> | |
1740 <output name="out" file="FalseDiscoveryRate_output_4.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1741 <param name="PSM" value="true"/> | |
1742 <param name="protein" value="false"/> | |
1743 <section name="FDR"> | |
1744 <param name="PSM" value="1.0"/> | |
1745 <param name="protein" value="1.0"/> | |
1746 <section name="cleanup"> | |
1747 <param name="remove_proteins_without_psms" value="true"/> | |
1748 <param name="remove_psms_without_proteins" value="true"/> | |
1749 <param name="remove_spectra_without_psms" value="true"/> | |
1750 </section> | |
1751 </section> | |
1752 <section name="algorithm"> | |
1753 <param name="no_qvalues" value="false"/> | |
1754 <param name="use_all_hits" value="false"/> | |
1755 <param name="split_charge_variants" value="true"/> | |
1756 <param name="treat_runs_separately" value="false"/> | |
1757 <param name="add_decoy_peptides" value="false"/> | |
1758 <param name="add_decoy_proteins" value="false"/> | |
1759 <param name="conservative" value="true"/> | |
1760 </section> | |
1761 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1762 <output name="ctd_out" ftype="xml"> | |
1763 <assert_contents> | |
1764 <is_valid_xml/> | |
1765 </assert_contents> | |
1766 </output> | |
1767 </test> | |
1768 <test expect_num_outputs="2"> | |
1769 <conditional name="adv_opts_cond"> | |
1770 <param name="adv_opts_selector" value="advanced"/> | |
1771 <param name="force" value="true"/> | |
1772 <param name="test" value="true"/> | |
1773 </conditional> | |
1774 <param name="in" value="FalseDiscoveryRate_5_input.idXML"/> | |
1775 <output name="out" file="FalseDiscoveryRate_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1776 <param name="PSM" value="false"/> | |
1777 <param name="protein" value="true"/> | |
1778 <section name="FDR"> | |
1779 <param name="PSM" value="1.0"/> | |
1780 <param name="protein" value="1.0"/> | |
1781 <section name="cleanup"> | |
1782 <param name="remove_proteins_without_psms" value="true"/> | |
1783 <param name="remove_psms_without_proteins" value="true"/> | |
1784 <param name="remove_spectra_without_psms" value="true"/> | |
1785 </section> | |
1786 </section> | |
1787 <section name="algorithm"> | |
1788 <param name="no_qvalues" value="false"/> | |
1789 <param name="use_all_hits" value="false"/> | |
1790 <param name="split_charge_variants" value="false"/> | |
1791 <param name="treat_runs_separately" value="false"/> | |
1792 <param name="add_decoy_peptides" value="false"/> | |
1793 <param name="add_decoy_proteins" value="true"/> | |
1794 <param name="conservative" value="true"/> | |
1795 </section> | |
1796 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1797 <output name="ctd_out" ftype="xml"> | |
1798 <assert_contents> | |
1799 <is_valid_xml/> | |
1800 </assert_contents> | |
1801 </output> | |
1802 </test> | |
1803 <test expect_num_outputs="2"> | |
1804 <conditional name="adv_opts_cond"> | |
1805 <param name="adv_opts_selector" value="advanced"/> | |
1806 <param name="force" value="false"/> | |
1807 <param name="test" value="true"/> | |
1808 </conditional> | |
1809 <param name="in" value="FalseDiscoveryRate_6_input.idXML"/> | |
1810 <output name="out" file="FalseDiscoveryRate_6_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1811 <param name="PSM" value="true"/> | |
1812 <param name="protein" value="false"/> | |
1813 <section name="FDR"> | |
1814 <param name="PSM" value="0.05"/> | |
1815 <param name="protein" value="1.0"/> | |
1816 <section name="cleanup"> | |
1817 <param name="remove_proteins_without_psms" value="true"/> | |
1818 <param name="remove_psms_without_proteins" value="true"/> | |
1819 <param name="remove_spectra_without_psms" value="true"/> | |
1820 </section> | |
1821 </section> | |
1822 <section name="algorithm"> | |
1823 <param name="no_qvalues" value="false"/> | |
1824 <param name="use_all_hits" value="false"/> | |
1825 <param name="split_charge_variants" value="false"/> | |
1826 <param name="treat_runs_separately" value="false"/> | |
1827 <param name="add_decoy_peptides" value="false"/> | |
1828 <param name="add_decoy_proteins" value="false"/> | |
1829 <param name="conservative" value="true"/> | |
1830 </section> | |
1831 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1832 <output name="ctd_out" ftype="xml"> | |
1833 <assert_contents> | |
1834 <is_valid_xml/> | |
1835 </assert_contents> | |
1836 </output> | |
1837 </test> | |
1838 <test expect_num_outputs="2"> | |
1839 <conditional name="adv_opts_cond"> | |
1840 <param name="adv_opts_selector" value="advanced"/> | |
1841 <param name="force" value="true"/> | |
1842 <param name="test" value="true"/> | |
1843 </conditional> | |
1844 <param name="in" value="FalseDiscoveryRate_7_input.idXML"/> | |
1845 <output name="out" file="FalseDiscoveryRate_7_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
1846 <param name="PSM" value="false"/> | |
1847 <param name="protein" value="true"/> | |
1848 <section name="FDR"> | |
1849 <param name="PSM" value="1.0"/> | |
1850 <param name="protein" value="0.3"/> | |
1851 <section name="cleanup"> | |
1852 <param name="remove_proteins_without_psms" value="true"/> | |
1853 <param name="remove_psms_without_proteins" value="true"/> | |
1854 <param name="remove_spectra_without_psms" value="true"/> | |
1855 </section> | |
1856 </section> | |
1857 <section name="algorithm"> | |
1858 <param name="no_qvalues" value="false"/> | |
1859 <param name="use_all_hits" value="false"/> | |
1860 <param name="split_charge_variants" value="false"/> | |
1861 <param name="treat_runs_separately" value="false"/> | |
1862 <param name="add_decoy_peptides" value="false"/> | |
1863 <param name="add_decoy_proteins" value="false"/> | |
1864 <param name="conservative" value="true"/> | |
1865 </section> | |
1866 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1867 <output name="ctd_out" ftype="xml"> | |
1868 <assert_contents> | |
1869 <is_valid_xml/> | |
1870 </assert_contents> | |
1871 </output> | |
1872 </test> | |
1873 </xml> | |
1874 <xml name="autotest_FeatureFinderCentroided"> | |
1875 <test expect_num_outputs="2"> | |
1876 <conditional name="adv_opts_cond"> | |
1877 <param name="adv_opts_selector" value="advanced"/> | |
1878 <param name="force" value="false"/> | |
1879 <param name="test" value="true"/> | |
1880 <param name="pseudo_rt_shift" value="500.0"/> | |
1881 </conditional> | |
1882 <param name="in" value="FeatureFinderCentroided_1_input.mzML"/> | |
1883 <output name="out" file="FeatureFinderCentroided_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
1884 <section name="algorithm"> | |
1885 <section name="intensity"> | |
1886 <param name="bins" value="1"/> | |
1887 </section> | |
1888 <section name="mass_trace"> | |
1889 <param name="mz_tolerance" value="0.02"/> | |
1890 <param name="min_spectra" value="14"/> | |
1891 <param name="max_missing" value="1"/> | |
1892 <param name="slope_bound" value="0.1"/> | |
1893 </section> | |
1894 <section name="isotopic_pattern"> | |
1895 <param name="charge_low" value="2"/> | |
1896 <param name="charge_high" value="2"/> | |
1897 <param name="mz_tolerance" value="0.02"/> | |
1898 <param name="intensity_percentage" value="10.0"/> | |
1899 <param name="intensity_percentage_optional" value="0.1"/> | |
1900 <param name="optional_fit_improvement" value="2.0"/> | |
1901 <param name="mass_window_width" value="100.0"/> | |
1902 <param name="abundance_12C" value="98.93"/> | |
1903 <param name="abundance_14N" value="99.632"/> | |
1904 </section> | |
1905 <section name="seed"> | |
1906 <param name="min_score" value="0.8"/> | |
1907 </section> | |
1908 <section name="fit"> | |
1909 <param name="max_iterations" value="500"/> | |
1910 </section> | |
1911 <section name="feature"> | |
1912 <param name="min_score" value="0.7"/> | |
1913 <param name="min_isotope_fit" value="0.8"/> | |
1914 <param name="min_trace_score" value="0.5"/> | |
1915 <param name="min_rt_span" value="0.333"/> | |
1916 <param name="max_rt_span" value="2.5"/> | |
1917 <param name="rt_shape" value="symmetric"/> | |
1918 <param name="max_intersection" value="0.35"/> | |
1919 <param name="reported_mz" value="monoisotopic"/> | |
1920 </section> | |
1921 <section name="user-seed"> | |
1922 <param name="rt_tolerance" value="5.0"/> | |
1923 <param name="mz_tolerance" value="1.1"/> | |
1924 <param name="min_score" value="0.5"/> | |
1925 </section> | |
1926 </section> | |
1927 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1928 <output name="ctd_out" ftype="xml"> | |
1929 <assert_contents> | |
1930 <is_valid_xml/> | |
1931 </assert_contents> | |
1932 </output> | |
1933 </test> | |
1934 </xml> | |
1935 <xml name="autotest_FeatureFinderIdentification"> | |
1936 <test expect_num_outputs="2"> | |
1937 <conditional name="adv_opts_cond"> | |
1938 <param name="adv_opts_selector" value="advanced"/> | |
1939 <param name="force" value="false"/> | |
1940 <param name="test" value="true"/> | |
1941 </conditional> | |
1942 <param name="in" value="FeatureFinderIdentification_1_input.mzML"/> | |
1943 <param name="id" value="FeatureFinderIdentification_1_input.idXML"/> | |
1944 <output name="out" file="FeatureFinderIdentification_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
1945 <section name="extract"> | |
1946 <param name="batch_size" value="1000"/> | |
1947 <param name="mz_window" value="0.1"/> | |
1948 <param name="n_isotopes" value="2"/> | |
1949 <param name="isotope_pmin" value="0.0"/> | |
1950 <param name="rt_quantile" value="0.95"/> | |
1951 <param name="rt_window" value="0.0"/> | |
1952 </section> | |
1953 <section name="detect"> | |
1954 <param name="peak_width" value="60.0"/> | |
1955 <param name="min_peak_width" value="0.2"/> | |
1956 <param name="signal_to_noise" value="0.8"/> | |
1957 <param name="mapping_tolerance" value="0.0"/> | |
1958 </section> | |
1959 <section name="svm"> | |
1960 <param name="samples" value="0"/> | |
1961 <param name="no_selection" value="false"/> | |
1962 <param name="kernel" value="RBF"/> | |
1963 <param name="xval" value="5"/> | |
1964 <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"/> | |
1965 <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"/> | |
1966 <param name="epsilon" value="0.001"/> | |
1967 <param name="cache_size" value="100.0"/> | |
1968 <param name="no_shrinking" value="false"/> | |
1969 <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"/> | |
1970 <param name="min_prob" value="0.0"/> | |
1971 </section> | |
1972 <section name="model"> | |
1973 <param name="type" value="none"/> | |
1974 <param name="add_zeros" value="0.2"/> | |
1975 <param name="unweighted_fit" value="false"/> | |
1976 <param name="no_imputation" value="false"/> | |
1977 <section name="check"> | |
1978 <param name="min_area" value="1.0"/> | |
1979 <param name="boundaries" value="0.5"/> | |
1980 <param name="width" value="10.0"/> | |
1981 <param name="asymmetry" value="10.0"/> | |
1982 </section> | |
1983 </section> | |
1984 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
1985 <output name="ctd_out" ftype="xml"> | |
1986 <assert_contents> | |
1987 <is_valid_xml/> | |
1988 </assert_contents> | |
1989 </output> | |
1990 </test> | |
1991 <test expect_num_outputs="2"> | |
1992 <conditional name="adv_opts_cond"> | |
1993 <param name="adv_opts_selector" value="advanced"/> | |
1994 <param name="force" value="false"/> | |
1995 <param name="test" value="true"/> | |
1996 </conditional> | |
1997 <param name="in" value="FeatureFinderIdentification_1_input.mzML"/> | |
1998 <param name="id" value="FeatureFinderIdentification_1_input.idXML"/> | |
1999 <output name="out" file="FeatureFinderIdentification_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2000 <section name="extract"> | |
2001 <param name="batch_size" value="1000"/> | |
2002 <param name="mz_window" value="0.1"/> | |
2003 <param name="n_isotopes" value="2"/> | |
2004 <param name="isotope_pmin" value="0.0"/> | |
2005 <param name="rt_quantile" value="0.95"/> | |
2006 <param name="rt_window" value="0.0"/> | |
2007 </section> | |
2008 <section name="detect"> | |
2009 <param name="peak_width" value="60.0"/> | |
2010 <param name="min_peak_width" value="0.2"/> | |
2011 <param name="signal_to_noise" value="0.8"/> | |
2012 <param name="mapping_tolerance" value="0.0"/> | |
2013 </section> | |
2014 <section name="svm"> | |
2015 <param name="samples" value="0"/> | |
2016 <param name="no_selection" value="false"/> | |
2017 <param name="kernel" value="RBF"/> | |
2018 <param name="xval" value="5"/> | |
2019 <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"/> | |
2020 <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"/> | |
2021 <param name="epsilon" value="0.001"/> | |
2022 <param name="cache_size" value="100.0"/> | |
2023 <param name="no_shrinking" value="false"/> | |
2024 <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"/> | |
2025 <param name="min_prob" value="0.0"/> | |
2026 </section> | |
2027 <section name="model"> | |
2028 <param name="type" value="symmetric"/> | |
2029 <param name="add_zeros" value="0.2"/> | |
2030 <param name="unweighted_fit" value="false"/> | |
2031 <param name="no_imputation" value="false"/> | |
2032 <section name="check"> | |
2033 <param name="min_area" value="1.0"/> | |
2034 <param name="boundaries" value="0.5"/> | |
2035 <param name="width" value="10.0"/> | |
2036 <param name="asymmetry" value="10.0"/> | |
2037 </section> | |
2038 </section> | |
2039 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2040 <output name="ctd_out" ftype="xml"> | |
2041 <assert_contents> | |
2042 <is_valid_xml/> | |
2043 </assert_contents> | |
2044 </output> | |
2045 </test> | |
2046 <test expect_num_outputs="2"> | |
2047 <conditional name="adv_opts_cond"> | |
2048 <param name="adv_opts_selector" value="advanced"/> | |
2049 <param name="force" value="false"/> | |
2050 <param name="test" value="true"/> | |
2051 </conditional> | |
2052 <param name="in" value="FeatureFinderIdentification_1_input.mzML"/> | |
2053 <param name="id" value="FeatureFinderIdentification_1_input.idXML"/> | |
2054 <output name="out" file="FeatureFinderIdentification_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2055 <section name="extract"> | |
2056 <param name="batch_size" value="10"/> | |
2057 <param name="mz_window" value="0.1"/> | |
2058 <param name="n_isotopes" value="2"/> | |
2059 <param name="isotope_pmin" value="0.0"/> | |
2060 <param name="rt_quantile" value="0.95"/> | |
2061 <param name="rt_window" value="0.0"/> | |
2062 </section> | |
2063 <section name="detect"> | |
2064 <param name="peak_width" value="60.0"/> | |
2065 <param name="min_peak_width" value="0.2"/> | |
2066 <param name="signal_to_noise" value="0.8"/> | |
2067 <param name="mapping_tolerance" value="0.0"/> | |
2068 </section> | |
2069 <section name="svm"> | |
2070 <param name="samples" value="0"/> | |
2071 <param name="no_selection" value="false"/> | |
2072 <param name="kernel" value="RBF"/> | |
2073 <param name="xval" value="5"/> | |
2074 <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"/> | |
2075 <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"/> | |
2076 <param name="epsilon" value="0.001"/> | |
2077 <param name="cache_size" value="100.0"/> | |
2078 <param name="no_shrinking" value="false"/> | |
2079 <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"/> | |
2080 <param name="min_prob" value="0.0"/> | |
2081 </section> | |
2082 <section name="model"> | |
2083 <param name="type" value="none"/> | |
2084 <param name="add_zeros" value="0.2"/> | |
2085 <param name="unweighted_fit" value="false"/> | |
2086 <param name="no_imputation" value="false"/> | |
2087 <section name="check"> | |
2088 <param name="min_area" value="1.0"/> | |
2089 <param name="boundaries" value="0.5"/> | |
2090 <param name="width" value="10.0"/> | |
2091 <param name="asymmetry" value="10.0"/> | |
2092 </section> | |
2093 </section> | |
2094 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2095 <output name="ctd_out" ftype="xml"> | |
2096 <assert_contents> | |
2097 <is_valid_xml/> | |
2098 </assert_contents> | |
2099 </output> | |
2100 </test> | |
2101 </xml> | |
2102 <xml name="autotest_FeatureFinderIsotopeWavelet"> | |
2103 </xml> | |
2104 <xml name="autotest_FeatureFinderMetaboIdent"> | |
2105 <test expect_num_outputs="2"> | |
2106 <conditional name="adv_opts_cond"> | |
2107 <param name="adv_opts_selector" value="advanced"/> | |
2108 <param name="force" value="false"/> | |
2109 <param name="test" value="true"/> | |
2110 </conditional> | |
2111 <param name="in" value="FeatureFinderMetaboIdent_1_input.mzML"/> | |
2112 <param name="id" value="FeatureFinderMetaboIdent_1_input.tsv" ftype="tabular"/> | |
2113 <output name="out" file="FeatureFinderMetaboIdent_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2114 <section name="extract"> | |
2115 <param name="mz_window" value="5.0"/> | |
2116 <param name="n_isotopes" value="2"/> | |
2117 <param name="isotope_pmin" value="0.0"/> | |
2118 <param name="rt_window" value="20.0"/> | |
2119 </section> | |
2120 <section name="detect"> | |
2121 <param name="peak_width" value="3.0"/> | |
2122 <param name="min_peak_width" value="0.2"/> | |
2123 <param name="signal_to_noise" value="0.8"/> | |
2124 </section> | |
2125 <section name="model"> | |
2126 <param name="type" value="symmetric"/> | |
2127 <param name="add_zeros" value="0.2"/> | |
2128 <param name="unweighted_fit" value="false"/> | |
2129 <param name="no_imputation" value="false"/> | |
2130 <section name="check"> | |
2131 <param name="min_area" value="1.0"/> | |
2132 <param name="boundaries" value="0.5"/> | |
2133 <param name="width" value="10.0"/> | |
2134 <param name="asymmetry" value="10.0"/> | |
2135 </section> | |
2136 </section> | |
2137 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2138 <output name="ctd_out" ftype="xml"> | |
2139 <assert_contents> | |
2140 <is_valid_xml/> | |
2141 </assert_contents> | |
2142 </output> | |
2143 </test> | |
2144 </xml> | |
2145 <xml name="autotest_FeatureFinderMetabo"> | |
2146 <test expect_num_outputs="2"> | |
2147 <conditional name="adv_opts_cond"> | |
2148 <param name="adv_opts_selector" value="advanced"/> | |
2149 <param name="force" value="false"/> | |
2150 <param name="test" value="true"/> | |
2151 </conditional> | |
2152 <param name="in" value="FeatureFinderMetabo_1_input.mzML"/> | |
2153 <output name="out" file="FeatureFinderMetabo_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2154 <section name="algorithm"> | |
2155 <section name="common"> | |
2156 <param name="noise_threshold_int" value="10.0"/> | |
2157 <param name="chrom_peak_snr" value="3.0"/> | |
2158 <param name="chrom_fwhm" value="5.0"/> | |
2159 </section> | |
2160 <section name="mtd"> | |
2161 <param name="mass_error_ppm" value="20.0"/> | |
2162 <param name="reestimate_mt_sd" value="true"/> | |
2163 <param name="quant_method" value="area"/> | |
2164 <param name="trace_termination_criterion" value="outlier"/> | |
2165 <param name="trace_termination_outliers" value="5"/> | |
2166 <param name="min_sample_rate" value="0.5"/> | |
2167 <param name="min_trace_length" value="5.0"/> | |
2168 <param name="max_trace_length" value="300.0"/> | |
2169 </section> | |
2170 <section name="epd"> | |
2171 <param name="enabled" value="true"/> | |
2172 <param name="width_filtering" value="off"/> | |
2173 <param name="min_fwhm" value="3.0"/> | |
2174 <param name="max_fwhm" value="60.0"/> | |
2175 <param name="masstrace_snr_filtering" value="false"/> | |
2176 </section> | |
2177 <section name="ffm"> | |
2178 <param name="local_rt_range" value="10.0"/> | |
2179 <param name="local_mz_range" value="6.5"/> | |
2180 <param name="charge_lower_bound" value="1"/> | |
2181 <param name="charge_upper_bound" value="3"/> | |
2182 <param name="report_summed_ints" value="false"/> | |
2183 <param name="enable_RT_filtering" value="true"/> | |
2184 <param name="isotope_filtering_model" value="metabolites (5% RMS)"/> | |
2185 <param name="mz_scoring_13C" value="true"/> | |
2186 <param name="use_smoothed_intensities" value="true"/> | |
2187 <param name="report_convex_hulls" value="false"/> | |
2188 <param name="remove_single_traces" value="false"/> | |
2189 <param name="mz_scoring_by_elements" value="false"/> | |
2190 <param name="elements" value="CHNOPS"/> | |
2191 </section> | |
2192 </section> | |
2193 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2194 <output name="ctd_out" ftype="xml"> | |
2195 <assert_contents> | |
2196 <is_valid_xml/> | |
2197 </assert_contents> | |
2198 </output> | |
2199 </test> | |
2200 <test expect_num_outputs="2"> | |
2201 <conditional name="adv_opts_cond"> | |
2202 <param name="adv_opts_selector" value="advanced"/> | |
2203 <param name="force" value="false"/> | |
2204 <param name="test" value="true"/> | |
2205 </conditional> | |
2206 <param name="in" value="FeatureFinderMetabo_2_input.mzML"/> | |
2207 <output name="out" file="FeatureFinderMetabo_2_noEPD_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2208 <section name="algorithm"> | |
2209 <section name="common"> | |
2210 <param name="noise_threshold_int" value="100.0"/> | |
2211 <param name="chrom_peak_snr" value="0.0"/> | |
2212 <param name="chrom_fwhm" value="100.0"/> | |
2213 </section> | |
2214 <section name="mtd"> | |
2215 <param name="mass_error_ppm" value="5.0"/> | |
2216 <param name="reestimate_mt_sd" value="true"/> | |
2217 <param name="quant_method" value="median"/> | |
2218 <param name="trace_termination_criterion" value="sample_rate"/> | |
2219 <param name="trace_termination_outliers" value="2"/> | |
2220 <param name="min_sample_rate" value="0.01"/> | |
2221 <param name="min_trace_length" value="30.0"/> | |
2222 <param name="max_trace_length" value="3000.0"/> | |
2223 </section> | |
2224 <section name="epd"> | |
2225 <param name="enabled" value="false"/> | |
2226 <param name="width_filtering" value="off"/> | |
2227 <param name="min_fwhm" value="10.0"/> | |
2228 <param name="max_fwhm" value="80.0"/> | |
2229 <param name="masstrace_snr_filtering" value="false"/> | |
2230 </section> | |
2231 <section name="ffm"> | |
2232 <param name="local_rt_range" value="10.0"/> | |
2233 <param name="local_mz_range" value="4.5"/> | |
2234 <param name="charge_lower_bound" value="1"/> | |
2235 <param name="charge_upper_bound" value="3"/> | |
2236 <param name="report_summed_ints" value="false"/> | |
2237 <param name="enable_RT_filtering" value="false"/> | |
2238 <param name="isotope_filtering_model" value="none"/> | |
2239 <param name="mz_scoring_13C" value="false"/> | |
2240 <param name="use_smoothed_intensities" value="false"/> | |
2241 <param name="report_convex_hulls" value="true"/> | |
2242 <param name="remove_single_traces" value="false"/> | |
2243 <param name="mz_scoring_by_elements" value="false"/> | |
2244 <param name="elements" value="CHNOPS"/> | |
2245 </section> | |
2246 </section> | |
2247 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2248 <output name="ctd_out" ftype="xml"> | |
2249 <assert_contents> | |
2250 <is_valid_xml/> | |
2251 </assert_contents> | |
2252 </output> | |
2253 </test> | |
2254 <test expect_num_outputs="3"> | |
2255 <conditional name="adv_opts_cond"> | |
2256 <param name="adv_opts_selector" value="advanced"/> | |
2257 <param name="force" value="false"/> | |
2258 <param name="test" value="true"/> | |
2259 </conditional> | |
2260 <param name="in" value="FeatureFinderMetabo_3_input.mzML"/> | |
2261 <output name="out" file="FeatureFinderMetabo_3.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2262 <output name="out_chrom" file="FeatureFinderMetabo_3_chrom_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
2263 <section name="algorithm"> | |
2264 <section name="common"> | |
2265 <param name="noise_threshold_int" value="10.0"/> | |
2266 <param name="chrom_peak_snr" value="3.0"/> | |
2267 <param name="chrom_fwhm" value="5.0"/> | |
2268 </section> | |
2269 <section name="mtd"> | |
2270 <param name="mass_error_ppm" value="5.0"/> | |
2271 <param name="reestimate_mt_sd" value="true"/> | |
2272 <param name="quant_method" value="area"/> | |
2273 <param name="trace_termination_criterion" value="outlier"/> | |
2274 <param name="trace_termination_outliers" value="5"/> | |
2275 <param name="min_sample_rate" value="0.5"/> | |
2276 <param name="min_trace_length" value="5.0"/> | |
2277 <param name="max_trace_length" value="-1.0"/> | |
2278 </section> | |
2279 <section name="epd"> | |
2280 <param name="enabled" value="true"/> | |
2281 <param name="width_filtering" value="fixed"/> | |
2282 <param name="min_fwhm" value="3.0"/> | |
2283 <param name="max_fwhm" value="60.0"/> | |
2284 <param name="masstrace_snr_filtering" value="false"/> | |
2285 </section> | |
2286 <section name="ffm"> | |
2287 <param name="local_rt_range" value="10.0"/> | |
2288 <param name="local_mz_range" value="6.5"/> | |
2289 <param name="charge_lower_bound" value="1"/> | |
2290 <param name="charge_upper_bound" value="3"/> | |
2291 <param name="report_summed_ints" value="false"/> | |
2292 <param name="enable_RT_filtering" value="true"/> | |
2293 <param name="isotope_filtering_model" value="none"/> | |
2294 <param name="mz_scoring_13C" value="true"/> | |
2295 <param name="use_smoothed_intensities" value="true"/> | |
2296 <param name="report_convex_hulls" value="true"/> | |
2297 <param name="remove_single_traces" value="false"/> | |
2298 <param name="mz_scoring_by_elements" value="false"/> | |
2299 <param name="elements" value="CHNOPS"/> | |
2300 </section> | |
2301 </section> | |
2302 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_chrom_FLAG"/> | |
2303 <output name="ctd_out" ftype="xml"> | |
2304 <assert_contents> | |
2305 <is_valid_xml/> | |
2306 </assert_contents> | |
2307 </output> | |
2308 </test> | |
2309 <test expect_num_outputs="3"> | |
2310 <conditional name="adv_opts_cond"> | |
2311 <param name="adv_opts_selector" value="advanced"/> | |
2312 <param name="force" value="false"/> | |
2313 <param name="test" value="true"/> | |
2314 </conditional> | |
2315 <param name="in" value="FeatureFinderMetabo_3_input.mzML"/> | |
2316 <output name="out" file="FeatureFinderMetabo_4_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2317 <output name="out_chrom" file="FeatureFinderMetabo_4_chrom_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
2318 <section name="algorithm"> | |
2319 <section name="common"> | |
2320 <param name="noise_threshold_int" value="10.0"/> | |
2321 <param name="chrom_peak_snr" value="3.0"/> | |
2322 <param name="chrom_fwhm" value="5.0"/> | |
2323 </section> | |
2324 <section name="mtd"> | |
2325 <param name="mass_error_ppm" value="5.0"/> | |
2326 <param name="reestimate_mt_sd" value="true"/> | |
2327 <param name="quant_method" value="area"/> | |
2328 <param name="trace_termination_criterion" value="outlier"/> | |
2329 <param name="trace_termination_outliers" value="5"/> | |
2330 <param name="min_sample_rate" value="0.5"/> | |
2331 <param name="min_trace_length" value="5.0"/> | |
2332 <param name="max_trace_length" value="-1.0"/> | |
2333 </section> | |
2334 <section name="epd"> | |
2335 <param name="enabled" value="true"/> | |
2336 <param name="width_filtering" value="fixed"/> | |
2337 <param name="min_fwhm" value="3.0"/> | |
2338 <param name="max_fwhm" value="60.0"/> | |
2339 <param name="masstrace_snr_filtering" value="false"/> | |
2340 </section> | |
2341 <section name="ffm"> | |
2342 <param name="local_rt_range" value="10.0"/> | |
2343 <param name="local_mz_range" value="6.5"/> | |
2344 <param name="charge_lower_bound" value="1"/> | |
2345 <param name="charge_upper_bound" value="3"/> | |
2346 <param name="report_summed_ints" value="false"/> | |
2347 <param name="enable_RT_filtering" value="true"/> | |
2348 <param name="isotope_filtering_model" value="none"/> | |
2349 <param name="mz_scoring_13C" value="true"/> | |
2350 <param name="use_smoothed_intensities" value="true"/> | |
2351 <param name="report_convex_hulls" value="true"/> | |
2352 <param name="remove_single_traces" value="true"/> | |
2353 <param name="mz_scoring_by_elements" value="false"/> | |
2354 <param name="elements" value="CHNOPS"/> | |
2355 </section> | |
2356 </section> | |
2357 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_chrom_FLAG"/> | |
2358 <output name="ctd_out" ftype="xml"> | |
2359 <assert_contents> | |
2360 <is_valid_xml/> | |
2361 </assert_contents> | |
2362 </output> | |
2363 </test> | |
2364 <test expect_num_outputs="2"> | |
2365 <conditional name="adv_opts_cond"> | |
2366 <param name="adv_opts_selector" value="advanced"/> | |
2367 <param name="force" value="false"/> | |
2368 <param name="test" value="true"/> | |
2369 </conditional> | |
2370 <param name="in" value="FeatureFinderMetabo_1_input.mzML"/> | |
2371 <output name="out" file="FeatureFinderMetabo_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2372 <section name="algorithm"> | |
2373 <section name="common"> | |
2374 <param name="noise_threshold_int" value="10.0"/> | |
2375 <param name="chrom_peak_snr" value="3.0"/> | |
2376 <param name="chrom_fwhm" value="5.0"/> | |
2377 </section> | |
2378 <section name="mtd"> | |
2379 <param name="mass_error_ppm" value="20.0"/> | |
2380 <param name="reestimate_mt_sd" value="true"/> | |
2381 <param name="quant_method" value="max_height"/> | |
2382 <param name="trace_termination_criterion" value="outlier"/> | |
2383 <param name="trace_termination_outliers" value="5"/> | |
2384 <param name="min_sample_rate" value="0.5"/> | |
2385 <param name="min_trace_length" value="5.0"/> | |
2386 <param name="max_trace_length" value="300.0"/> | |
2387 </section> | |
2388 <section name="epd"> | |
2389 <param name="enabled" value="true"/> | |
2390 <param name="width_filtering" value="off"/> | |
2391 <param name="min_fwhm" value="3.0"/> | |
2392 <param name="max_fwhm" value="60.0"/> | |
2393 <param name="masstrace_snr_filtering" value="false"/> | |
2394 </section> | |
2395 <section name="ffm"> | |
2396 <param name="local_rt_range" value="10.0"/> | |
2397 <param name="local_mz_range" value="6.5"/> | |
2398 <param name="charge_lower_bound" value="1"/> | |
2399 <param name="charge_upper_bound" value="3"/> | |
2400 <param name="report_summed_ints" value="false"/> | |
2401 <param name="enable_RT_filtering" value="true"/> | |
2402 <param name="isotope_filtering_model" value="metabolites (5% RMS)"/> | |
2403 <param name="mz_scoring_13C" value="true"/> | |
2404 <param name="use_smoothed_intensities" value="true"/> | |
2405 <param name="report_convex_hulls" value="false"/> | |
2406 <param name="remove_single_traces" value="false"/> | |
2407 <param name="mz_scoring_by_elements" value="false"/> | |
2408 <param name="elements" value="CHNOPS"/> | |
2409 </section> | |
2410 </section> | |
2411 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2412 <output name="ctd_out" ftype="xml"> | |
2413 <assert_contents> | |
2414 <is_valid_xml/> | |
2415 </assert_contents> | |
2416 </output> | |
2417 </test> | |
2418 </xml> | |
2419 <xml name="autotest_FeatureFinderMRM"> | |
2420 <test expect_num_outputs="2"> | |
2421 <conditional name="adv_opts_cond"> | |
2422 <param name="adv_opts_selector" value="advanced"/> | |
2423 <param name="force" value="false"/> | |
2424 <param name="test" value="true"/> | |
2425 </conditional> | |
2426 <param name="in" value="FeatureFinderMRM_1_input.mzML"/> | |
2427 <output name="out" file="FeatureFinderMRM_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2428 <section name="algorithm"> | |
2429 <param name="min_rt_distance" value="10.0"/> | |
2430 <param name="min_num_peaks_per_feature" value="5"/> | |
2431 <param name="min_signal_to_noise_ratio" value="2.0"/> | |
2432 <param name="write_debug_files" value="false"/> | |
2433 <param name="resample_traces" value="false"/> | |
2434 <param name="write_debuginfo" value="false"/> | |
2435 </section> | |
2436 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
2437 <output name="ctd_out" ftype="xml"> | |
2438 <assert_contents> | |
2439 <is_valid_xml/> | |
2440 </assert_contents> | |
2441 </output> | |
2442 </test> | |
2443 </xml> | |
2444 <xml name="autotest_FeatureFinderMultiplex"> | |
2445 <test expect_num_outputs="3"> | |
2446 <conditional name="adv_opts_cond"> | |
2447 <param name="adv_opts_selector" value="advanced"/> | |
2448 <param name="force" value="false"/> | |
2449 <param name="test" value="true"/> | |
2450 </conditional> | |
2451 <param name="in" value="FeatureFinderMultiplex_1_input.mzML"/> | |
2452 <output name="out" file="FeatureFinderMultiplex_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2453 <output name="out_multiplets" file="FeatureFinderMultiplex_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2454 <section name="algorithm"> | |
2455 <param name="labels" value="[Dimethyl0][Dimethyl8]"/> | |
2456 <param name="charge" value="1:4"/> | |
2457 <param name="isotopes_per_peptide" value="3:6"/> | |
2458 <param name="rt_typical" value="90.0"/> | |
2459 <param name="rt_band" value="10.0"/> | |
2460 <param name="rt_min" value="5.0"/> | |
2461 <param name="mz_tolerance" value="40.0"/> | |
2462 <param name="mz_unit" value="ppm"/> | |
2463 <param name="intensity_cutoff" value="10.0"/> | |
2464 <param name="peptide_similarity" value="0.8"/> | |
2465 <param name="averagine_similarity" value="0.75"/> | |
2466 <param name="averagine_similarity_scaling" value="0.75"/> | |
2467 <param name="missed_cleavages" value="1"/> | |
2468 <param name="spectrum_type" value="automatic"/> | |
2469 <param name="averagine_type" value="peptide"/> | |
2470 <param name="knock_out" value="false"/> | |
2471 </section> | |
2472 <section name="labels"> | |
2473 <param name="Arg6" value="6.0201290268"/> | |
2474 <param name="Arg10" value="10.0082686"/> | |
2475 <param name="Lys4" value="4.0251069836"/> | |
2476 <param name="Lys6" value="6.0201290268"/> | |
2477 <param name="Lys8" value="8.0141988132"/> | |
2478 <param name="Leu3" value="3.01883"/> | |
2479 <param name="Dimethyl0" value="28.0313"/> | |
2480 <param name="Dimethyl4" value="32.056407"/> | |
2481 <param name="Dimethyl6" value="34.063117"/> | |
2482 <param name="Dimethyl8" value="36.07567"/> | |
2483 <param name="ICPL0" value="105.021464"/> | |
2484 <param name="ICPL4" value="109.046571"/> | |
2485 <param name="ICPL6" value="111.041593"/> | |
2486 <param name="ICPL10" value="115.0667"/> | |
2487 </section> | |
2488 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2489 <output name="ctd_out" ftype="xml"> | |
2490 <assert_contents> | |
2491 <is_valid_xml/> | |
2492 </assert_contents> | |
2493 </output> | |
2494 </test> | |
2495 <test expect_num_outputs="3"> | |
2496 <conditional name="adv_opts_cond"> | |
2497 <param name="adv_opts_selector" value="advanced"/> | |
2498 <param name="force" value="false"/> | |
2499 <param name="test" value="true"/> | |
2500 </conditional> | |
2501 <param name="in" value="FeatureFinderMultiplex_2_input.mzML"/> | |
2502 <output name="out" file="FeatureFinderMultiplex_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2503 <output name="out_multiplets" file="FeatureFinderMultiplex_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2504 <section name="algorithm"> | |
2505 <param name="labels" value="[][Lys8,Arg10]"/> | |
2506 <param name="charge" value="1:4"/> | |
2507 <param name="isotopes_per_peptide" value="3:6"/> | |
2508 <param name="rt_typical" value="40.0"/> | |
2509 <param name="rt_band" value="5.0"/> | |
2510 <param name="rt_min" value="2.0"/> | |
2511 <param name="mz_tolerance" value="6.0"/> | |
2512 <param name="mz_unit" value="ppm"/> | |
2513 <param name="intensity_cutoff" value="1000.0"/> | |
2514 <param name="peptide_similarity" value="0.5"/> | |
2515 <param name="averagine_similarity" value="0.4"/> | |
2516 <param name="averagine_similarity_scaling" value="0.75"/> | |
2517 <param name="missed_cleavages" value="0"/> | |
2518 <param name="spectrum_type" value="automatic"/> | |
2519 <param name="averagine_type" value="peptide"/> | |
2520 <param name="knock_out" value="false"/> | |
2521 </section> | |
2522 <section name="labels"> | |
2523 <param name="Arg6" value="6.0201290268"/> | |
2524 <param name="Arg10" value="10.0082686"/> | |
2525 <param name="Lys4" value="4.0251069836"/> | |
2526 <param name="Lys6" value="6.0201290268"/> | |
2527 <param name="Lys8" value="8.0141988132"/> | |
2528 <param name="Leu3" value="3.01883"/> | |
2529 <param name="Dimethyl0" value="28.0313"/> | |
2530 <param name="Dimethyl4" value="32.056407"/> | |
2531 <param name="Dimethyl6" value="34.063117"/> | |
2532 <param name="Dimethyl8" value="36.07567"/> | |
2533 <param name="ICPL0" value="105.021464"/> | |
2534 <param name="ICPL4" value="109.046571"/> | |
2535 <param name="ICPL6" value="111.041593"/> | |
2536 <param name="ICPL10" value="115.0667"/> | |
2537 </section> | |
2538 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2539 <output name="ctd_out" ftype="xml"> | |
2540 <assert_contents> | |
2541 <is_valid_xml/> | |
2542 </assert_contents> | |
2543 </output> | |
2544 </test> | |
2545 <test expect_num_outputs="3"> | |
2546 <conditional name="adv_opts_cond"> | |
2547 <param name="adv_opts_selector" value="advanced"/> | |
2548 <param name="force" value="false"/> | |
2549 <param name="test" value="true"/> | |
2550 </conditional> | |
2551 <param name="in" value="FeatureFinderMultiplex_3_input.mzML"/> | |
2552 <output name="out" file="FeatureFinderMultiplex_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2553 <output name="out_multiplets" file="FeatureFinderMultiplex_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2554 <section name="algorithm"> | |
2555 <param name="labels" value="[]"/> | |
2556 <param name="charge" value="5:15"/> | |
2557 <param name="isotopes_per_peptide" value="5:10"/> | |
2558 <param name="rt_typical" value="45.0"/> | |
2559 <param name="rt_band" value="5.0"/> | |
2560 <param name="rt_min" value="2.0"/> | |
2561 <param name="mz_tolerance" value="6.0"/> | |
2562 <param name="mz_unit" value="ppm"/> | |
2563 <param name="intensity_cutoff" value="200.0"/> | |
2564 <param name="peptide_similarity" value="0.5"/> | |
2565 <param name="averagine_similarity" value="0.4"/> | |
2566 <param name="averagine_similarity_scaling" value="0.75"/> | |
2567 <param name="missed_cleavages" value="0"/> | |
2568 <param name="spectrum_type" value="automatic"/> | |
2569 <param name="averagine_type" value="RNA"/> | |
2570 <param name="knock_out" value="false"/> | |
2571 </section> | |
2572 <section name="labels"> | |
2573 <param name="Arg6" value="6.0201290268"/> | |
2574 <param name="Arg10" value="10.0082686"/> | |
2575 <param name="Lys4" value="4.0251069836"/> | |
2576 <param name="Lys6" value="6.0201290268"/> | |
2577 <param name="Lys8" value="8.0141988132"/> | |
2578 <param name="Leu3" value="3.01883"/> | |
2579 <param name="Dimethyl0" value="28.0313"/> | |
2580 <param name="Dimethyl4" value="32.056407"/> | |
2581 <param name="Dimethyl6" value="34.063117"/> | |
2582 <param name="Dimethyl8" value="36.07567"/> | |
2583 <param name="ICPL0" value="105.021464"/> | |
2584 <param name="ICPL4" value="109.046571"/> | |
2585 <param name="ICPL6" value="111.041593"/> | |
2586 <param name="ICPL10" value="115.0667"/> | |
2587 </section> | |
2588 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2589 <output name="ctd_out" ftype="xml"> | |
2590 <assert_contents> | |
2591 <is_valid_xml/> | |
2592 </assert_contents> | |
2593 </output> | |
2594 </test> | |
2595 <test expect_num_outputs="3"> | |
2596 <conditional name="adv_opts_cond"> | |
2597 <param name="adv_opts_selector" value="advanced"/> | |
2598 <param name="force" value="false"/> | |
2599 <param name="test" value="true"/> | |
2600 </conditional> | |
2601 <param name="in" value="FeatureFinderMultiplex_4_input.mzML"/> | |
2602 <output name="out" file="FeatureFinderMultiplex_4_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2603 <output name="out_multiplets" file="FeatureFinderMultiplex_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2604 <section name="algorithm"> | |
2605 <param name="labels" value="[]"/> | |
2606 <param name="charge" value="5:15"/> | |
2607 <param name="isotopes_per_peptide" value="5:10"/> | |
2608 <param name="rt_typical" value="45.0"/> | |
2609 <param name="rt_band" value="5.0"/> | |
2610 <param name="rt_min" value="2.0"/> | |
2611 <param name="mz_tolerance" value="6.0"/> | |
2612 <param name="mz_unit" value="ppm"/> | |
2613 <param name="intensity_cutoff" value="200.0"/> | |
2614 <param name="peptide_similarity" value="0.5"/> | |
2615 <param name="averagine_similarity" value="0.4"/> | |
2616 <param name="averagine_similarity_scaling" value="0.75"/> | |
2617 <param name="missed_cleavages" value="0"/> | |
2618 <param name="spectrum_type" value="automatic"/> | |
2619 <param name="averagine_type" value="DNA"/> | |
2620 <param name="knock_out" value="false"/> | |
2621 </section> | |
2622 <section name="labels"> | |
2623 <param name="Arg6" value="6.0201290268"/> | |
2624 <param name="Arg10" value="10.0082686"/> | |
2625 <param name="Lys4" value="4.0251069836"/> | |
2626 <param name="Lys6" value="6.0201290268"/> | |
2627 <param name="Lys8" value="8.0141988132"/> | |
2628 <param name="Leu3" value="3.01883"/> | |
2629 <param name="Dimethyl0" value="28.0313"/> | |
2630 <param name="Dimethyl4" value="32.056407"/> | |
2631 <param name="Dimethyl6" value="34.063117"/> | |
2632 <param name="Dimethyl8" value="36.07567"/> | |
2633 <param name="ICPL0" value="105.021464"/> | |
2634 <param name="ICPL4" value="109.046571"/> | |
2635 <param name="ICPL6" value="111.041593"/> | |
2636 <param name="ICPL10" value="115.0667"/> | |
2637 </section> | |
2638 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2639 <output name="ctd_out" ftype="xml"> | |
2640 <assert_contents> | |
2641 <is_valid_xml/> | |
2642 </assert_contents> | |
2643 </output> | |
2644 </test> | |
2645 <test expect_num_outputs="3"> | |
2646 <conditional name="adv_opts_cond"> | |
2647 <param name="adv_opts_selector" value="advanced"/> | |
2648 <param name="force" value="false"/> | |
2649 <param name="test" value="true"/> | |
2650 </conditional> | |
2651 <param name="in" value="FeatureFinderMultiplex_5_input.mzML"/> | |
2652 <output name="out" file="FeatureFinderMultiplex_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2653 <output name="out_multiplets" file="FeatureFinderMultiplex_5_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2654 <section name="algorithm"> | |
2655 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> | |
2656 <param name="charge" value="1:5"/> | |
2657 <param name="isotopes_per_peptide" value="3:6"/> | |
2658 <param name="rt_typical" value="50.0"/> | |
2659 <param name="rt_band" value="3.0"/> | |
2660 <param name="rt_min" value="8.0"/> | |
2661 <param name="mz_tolerance" value="10.0"/> | |
2662 <param name="mz_unit" value="ppm"/> | |
2663 <param name="intensity_cutoff" value="10000000.0"/> | |
2664 <param name="peptide_similarity" value="0.95"/> | |
2665 <param name="averagine_similarity" value="0.8"/> | |
2666 <param name="averagine_similarity_scaling" value="0.95"/> | |
2667 <param name="missed_cleavages" value="3"/> | |
2668 <param name="spectrum_type" value="profile"/> | |
2669 <param name="averagine_type" value="peptide"/> | |
2670 <param name="knock_out" value="false"/> | |
2671 </section> | |
2672 <section name="labels"> | |
2673 <param name="Arg6" value="6.0201290268"/> | |
2674 <param name="Arg10" value="10.0082686"/> | |
2675 <param name="Lys4" value="4.0251069836"/> | |
2676 <param name="Lys6" value="6.0201290268"/> | |
2677 <param name="Lys8" value="8.0141988132"/> | |
2678 <param name="Leu3" value="3.01883"/> | |
2679 <param name="Dimethyl0" value="28.0313"/> | |
2680 <param name="Dimethyl4" value="32.056407"/> | |
2681 <param name="Dimethyl6" value="34.063117"/> | |
2682 <param name="Dimethyl8" value="36.07567"/> | |
2683 <param name="ICPL0" value="105.021464"/> | |
2684 <param name="ICPL4" value="109.046571"/> | |
2685 <param name="ICPL6" value="111.041593"/> | |
2686 <param name="ICPL10" value="115.0667"/> | |
2687 </section> | |
2688 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2689 <output name="ctd_out" ftype="xml"> | |
2690 <assert_contents> | |
2691 <is_valid_xml/> | |
2692 </assert_contents> | |
2693 </output> | |
2694 </test> | |
2695 <test expect_num_outputs="3"> | |
2696 <conditional name="adv_opts_cond"> | |
2697 <param name="adv_opts_selector" value="advanced"/> | |
2698 <param name="force" value="false"/> | |
2699 <param name="test" value="true"/> | |
2700 </conditional> | |
2701 <param name="in" value="FeatureFinderMultiplex_6_input.mzML"/> | |
2702 <output name="out" file="FeatureFinderMultiplex_6_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2703 <output name="out_multiplets" file="FeatureFinderMultiplex_6_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2704 <section name="algorithm"> | |
2705 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> | |
2706 <param name="charge" value="1:5"/> | |
2707 <param name="isotopes_per_peptide" value="3:6"/> | |
2708 <param name="rt_typical" value="50.0"/> | |
2709 <param name="rt_band" value="3.0"/> | |
2710 <param name="rt_min" value="8.0"/> | |
2711 <param name="mz_tolerance" value="10.0"/> | |
2712 <param name="mz_unit" value="ppm"/> | |
2713 <param name="intensity_cutoff" value="10000000.0"/> | |
2714 <param name="peptide_similarity" value="0.95"/> | |
2715 <param name="averagine_similarity" value="0.8"/> | |
2716 <param name="averagine_similarity_scaling" value="1.0"/> | |
2717 <param name="missed_cleavages" value="3"/> | |
2718 <param name="spectrum_type" value="profile"/> | |
2719 <param name="averagine_type" value="peptide"/> | |
2720 <param name="knock_out" value="false"/> | |
2721 </section> | |
2722 <section name="labels"> | |
2723 <param name="Arg6" value="6.0201290268"/> | |
2724 <param name="Arg10" value="10.0082686"/> | |
2725 <param name="Lys4" value="4.0251069836"/> | |
2726 <param name="Lys6" value="6.0201290268"/> | |
2727 <param name="Lys8" value="8.0141988132"/> | |
2728 <param name="Leu3" value="3.01883"/> | |
2729 <param name="Dimethyl0" value="28.0313"/> | |
2730 <param name="Dimethyl4" value="32.056407"/> | |
2731 <param name="Dimethyl6" value="34.063117"/> | |
2732 <param name="Dimethyl8" value="36.07567"/> | |
2733 <param name="ICPL0" value="105.021464"/> | |
2734 <param name="ICPL4" value="109.046571"/> | |
2735 <param name="ICPL6" value="111.041593"/> | |
2736 <param name="ICPL10" value="115.0667"/> | |
2737 </section> | |
2738 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2739 <output name="ctd_out" ftype="xml"> | |
2740 <assert_contents> | |
2741 <is_valid_xml/> | |
2742 </assert_contents> | |
2743 </output> | |
2744 </test> | |
2745 <test expect_num_outputs="3"> | |
2746 <conditional name="adv_opts_cond"> | |
2747 <param name="adv_opts_selector" value="advanced"/> | |
2748 <param name="force" value="false"/> | |
2749 <param name="test" value="true"/> | |
2750 </conditional> | |
2751 <param name="in" value="FeatureFinderMultiplex_7_input.mzML"/> | |
2752 <output name="out" file="FeatureFinderMultiplex_7_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2753 <output name="out_multiplets" file="FeatureFinderMultiplex_7_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2754 <section name="algorithm"> | |
2755 <param name="labels" value="[][Dimethyl4]"/> | |
2756 <param name="charge" value="1:4"/> | |
2757 <param name="isotopes_per_peptide" value="3:6"/> | |
2758 <param name="rt_typical" value="40.0"/> | |
2759 <param name="rt_band" value="5.0"/> | |
2760 <param name="rt_min" value="2.0"/> | |
2761 <param name="mz_tolerance" value="6.0"/> | |
2762 <param name="mz_unit" value="ppm"/> | |
2763 <param name="intensity_cutoff" value="1000.0"/> | |
2764 <param name="peptide_similarity" value="0.5"/> | |
2765 <param name="averagine_similarity" value="0.4"/> | |
2766 <param name="averagine_similarity_scaling" value="0.75"/> | |
2767 <param name="missed_cleavages" value="0"/> | |
2768 <param name="spectrum_type" value="automatic"/> | |
2769 <param name="averagine_type" value="peptide"/> | |
2770 <param name="knock_out" value="false"/> | |
2771 </section> | |
2772 <section name="labels"> | |
2773 <param name="Arg6" value="6.0201290268"/> | |
2774 <param name="Arg10" value="10.0082686"/> | |
2775 <param name="Lys4" value="4.0251069836"/> | |
2776 <param name="Lys6" value="6.0201290268"/> | |
2777 <param name="Lys8" value="8.0141988132"/> | |
2778 <param name="Leu3" value="3.01883"/> | |
2779 <param name="Dimethyl0" value="28.0313"/> | |
2780 <param name="Dimethyl4" value="31.0094"/> | |
2781 <param name="Dimethyl6" value="34.063117"/> | |
2782 <param name="Dimethyl8" value="36.07567"/> | |
2783 <param name="ICPL0" value="105.021464"/> | |
2784 <param name="ICPL4" value="109.046571"/> | |
2785 <param name="ICPL6" value="111.041593"/> | |
2786 <param name="ICPL10" value="115.0667"/> | |
2787 </section> | |
2788 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2789 <output name="ctd_out" ftype="xml"> | |
2790 <assert_contents> | |
2791 <is_valid_xml/> | |
2792 </assert_contents> | |
2793 </output> | |
2794 </test> | |
2795 <test expect_num_outputs="3"> | |
2796 <conditional name="adv_opts_cond"> | |
2797 <param name="adv_opts_selector" value="advanced"/> | |
2798 <param name="force" value="false"/> | |
2799 <param name="test" value="true"/> | |
2800 </conditional> | |
2801 <param name="in" value="FeatureFinderMultiplex_8_input.mzML"/> | |
2802 <output name="out" file="FeatureFinderMultiplex_8_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2803 <output name="out_multiplets" file="FeatureFinderMultiplex_8_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2804 <section name="algorithm"> | |
2805 <param name="labels" value="[Dimethyl0][Dimethyl4][Dimethyl8]"/> | |
2806 <param name="charge" value="1:7"/> | |
2807 <param name="isotopes_per_peptide" value="3:8"/> | |
2808 <param name="rt_typical" value="50.0"/> | |
2809 <param name="rt_band" value="3.0"/> | |
2810 <param name="rt_min" value="8.0"/> | |
2811 <param name="mz_tolerance" value="10.0"/> | |
2812 <param name="mz_unit" value="ppm"/> | |
2813 <param name="intensity_cutoff" value="10.0"/> | |
2814 <param name="peptide_similarity" value="0.2"/> | |
2815 <param name="averagine_similarity" value="0.25"/> | |
2816 <param name="averagine_similarity_scaling" value="0.95"/> | |
2817 <param name="missed_cleavages" value="4"/> | |
2818 <param name="spectrum_type" value="automatic"/> | |
2819 <param name="averagine_type" value="peptide"/> | |
2820 <param name="knock_out" value="true"/> | |
2821 </section> | |
2822 <section name="labels"> | |
2823 <param name="Arg6" value="6.0201290268"/> | |
2824 <param name="Arg10" value="10.0082686"/> | |
2825 <param name="Lys4" value="4.0251069836"/> | |
2826 <param name="Lys6" value="6.0201290268"/> | |
2827 <param name="Lys8" value="8.0141988132"/> | |
2828 <param name="Leu3" value="3.01883"/> | |
2829 <param name="Dimethyl0" value="28.0313"/> | |
2830 <param name="Dimethyl4" value="32.056407"/> | |
2831 <param name="Dimethyl6" value="34.063117"/> | |
2832 <param name="Dimethyl8" value="36.07567"/> | |
2833 <param name="ICPL0" value="105.021464"/> | |
2834 <param name="ICPL4" value="109.046571"/> | |
2835 <param name="ICPL6" value="111.041593"/> | |
2836 <param name="ICPL10" value="115.0667"/> | |
2837 </section> | |
2838 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2839 <output name="ctd_out" ftype="xml"> | |
2840 <assert_contents> | |
2841 <is_valid_xml/> | |
2842 </assert_contents> | |
2843 </output> | |
2844 </test> | |
2845 <test expect_num_outputs="3"> | |
2846 <conditional name="adv_opts_cond"> | |
2847 <param name="adv_opts_selector" value="advanced"/> | |
2848 <param name="force" value="false"/> | |
2849 <param name="test" value="true"/> | |
2850 </conditional> | |
2851 <param name="in" value="FeatureFinderMultiplex_9_input.mzML"/> | |
2852 <output name="out" file="FeatureFinderMultiplex_9_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2853 <output name="out_multiplets" file="FeatureFinderMultiplex_9_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2854 <section name="algorithm"> | |
2855 <param name="labels" value="[0][6.03705]"/> | |
2856 <param name="charge" value="2:8"/> | |
2857 <param name="isotopes_per_peptide" value="3:8"/> | |
2858 <param name="rt_typical" value="40.0"/> | |
2859 <param name="rt_band" value="0.0"/> | |
2860 <param name="rt_min" value="4.0"/> | |
2861 <param name="mz_tolerance" value="10.0"/> | |
2862 <param name="mz_unit" value="ppm"/> | |
2863 <param name="intensity_cutoff" value="1000.0"/> | |
2864 <param name="peptide_similarity" value="0.5"/> | |
2865 <param name="averagine_similarity" value="0.4"/> | |
2866 <param name="averagine_similarity_scaling" value="0.95"/> | |
2867 <param name="missed_cleavages" value="0"/> | |
2868 <param name="spectrum_type" value="centroid"/> | |
2869 <param name="averagine_type" value="peptide"/> | |
2870 <param name="knock_out" value="false"/> | |
2871 </section> | |
2872 <section name="labels"> | |
2873 <param name="Arg6" value="6.0201290268"/> | |
2874 <param name="Arg10" value="10.0082686"/> | |
2875 <param name="Lys4" value="4.0251069836"/> | |
2876 <param name="Lys6" value="6.0201290268"/> | |
2877 <param name="Lys8" value="8.0141988132"/> | |
2878 <param name="Leu3" value="3.01883"/> | |
2879 <param name="Dimethyl0" value="28.0313"/> | |
2880 <param name="Dimethyl4" value="32.056407"/> | |
2881 <param name="Dimethyl6" value="34.063117"/> | |
2882 <param name="Dimethyl8" value="36.07567"/> | |
2883 <param name="ICPL0" value="105.021464"/> | |
2884 <param name="ICPL4" value="109.046571"/> | |
2885 <param name="ICPL6" value="111.041593"/> | |
2886 <param name="ICPL10" value="115.0667"/> | |
2887 </section> | |
2888 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2889 <output name="ctd_out" ftype="xml"> | |
2890 <assert_contents> | |
2891 <is_valid_xml/> | |
2892 </assert_contents> | |
2893 </output> | |
2894 </test> | |
2895 <test expect_num_outputs="3"> | |
2896 <conditional name="adv_opts_cond"> | |
2897 <param name="adv_opts_selector" value="advanced"/> | |
2898 <param name="force" value="false"/> | |
2899 <param name="test" value="true"/> | |
2900 </conditional> | |
2901 <param name="in" value="FeatureFinderMultiplex_10_input.mzML"/> | |
2902 <output name="out" file="FeatureFinderMultiplex_10_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2903 <output name="out_multiplets" file="FeatureFinderMultiplex_10_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
2904 <section name="algorithm"> | |
2905 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> | |
2906 <param name="charge" value="1:7"/> | |
2907 <param name="isotopes_per_peptide" value="3:6"/> | |
2908 <param name="rt_typical" value="50.0"/> | |
2909 <param name="rt_band" value="5.0"/> | |
2910 <param name="rt_min" value="8.0"/> | |
2911 <param name="mz_tolerance" value="6.0"/> | |
2912 <param name="mz_unit" value="ppm"/> | |
2913 <param name="intensity_cutoff" value="10.0"/> | |
2914 <param name="peptide_similarity" value="0.4"/> | |
2915 <param name="averagine_similarity" value="0.5"/> | |
2916 <param name="averagine_similarity_scaling" value="0.95"/> | |
2917 <param name="missed_cleavages" value="3"/> | |
2918 <param name="spectrum_type" value="profile"/> | |
2919 <param name="averagine_type" value="peptide"/> | |
2920 <param name="knock_out" value="true"/> | |
2921 </section> | |
2922 <section name="labels"> | |
2923 <param name="Arg6" value="6.0201290268"/> | |
2924 <param name="Arg10" value="10.0082686"/> | |
2925 <param name="Lys4" value="4.0251069836"/> | |
2926 <param name="Lys6" value="6.0201290268"/> | |
2927 <param name="Lys8" value="8.0141988132"/> | |
2928 <param name="Leu3" value="3.01883"/> | |
2929 <param name="Dimethyl0" value="28.0313"/> | |
2930 <param name="Dimethyl4" value="32.056407"/> | |
2931 <param name="Dimethyl6" value="34.063117"/> | |
2932 <param name="Dimethyl8" value="36.07567"/> | |
2933 <param name="ICPL0" value="105.021464"/> | |
2934 <param name="ICPL4" value="109.046571"/> | |
2935 <param name="ICPL6" value="111.041593"/> | |
2936 <param name="ICPL10" value="115.0667"/> | |
2937 </section> | |
2938 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,out_multiplets_FLAG"/> | |
2939 <output name="ctd_out" ftype="xml"> | |
2940 <assert_contents> | |
2941 <is_valid_xml/> | |
2942 </assert_contents> | |
2943 </output> | |
2944 </test> | |
2945 <test expect_num_outputs="2"> | |
2946 <conditional name="adv_opts_cond"> | |
2947 <param name="adv_opts_selector" value="advanced"/> | |
2948 <param name="force" value="false"/> | |
2949 <param name="test" value="true"/> | |
2950 </conditional> | |
2951 <param name="in" value="FeatureFinderMultiplex_11_input.mzML"/> | |
2952 <output name="out" file="FeatureFinderMultiplex_11_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
2953 <section name="algorithm"> | |
2954 <param name="labels" value="[]"/> | |
2955 <param name="charge" value="1:4"/> | |
2956 <param name="isotopes_per_peptide" value="3:6"/> | |
2957 <param name="rt_typical" value="1e-05"/> | |
2958 <param name="rt_band" value="0.0"/> | |
2959 <param name="rt_min" value="0.0"/> | |
2960 <param name="mz_tolerance" value="10.0"/> | |
2961 <param name="mz_unit" value="ppm"/> | |
2962 <param name="intensity_cutoff" value="1000.0"/> | |
2963 <param name="peptide_similarity" value="0.5"/> | |
2964 <param name="averagine_similarity" value="0.7"/> | |
2965 <param name="averagine_similarity_scaling" value="0.95"/> | |
2966 <param name="missed_cleavages" value="0"/> | |
2967 <param name="spectrum_type" value="automatic"/> | |
2968 <param name="averagine_type" value="peptide"/> | |
2969 <param name="knock_out" value="false"/> | |
2970 </section> | |
2971 <section name="labels"> | |
2972 <param name="Arg6" value="6.0201290268"/> | |
2973 <param name="Arg10" value="10.0082686"/> | |
2974 <param name="Lys4" value="4.0251069836"/> | |
2975 <param name="Lys6" value="6.0201290268"/> | |
2976 <param name="Lys8" value="8.0141988132"/> | |
2977 <param name="Leu3" value="3.01883"/> | |
2978 <param name="Dimethyl0" value="28.0313"/> | |
2979 <param name="Dimethyl4" value="32.056407"/> | |
2980 <param name="Dimethyl6" value="34.063117"/> | |
2981 <param name="Dimethyl8" value="36.07567"/> | |
2982 <param name="ICPL0" value="105.021464"/> | |
2983 <param name="ICPL4" value="109.046571"/> | |
2984 <param name="ICPL6" value="111.041593"/> | |
2985 <param name="ICPL10" value="115.0667"/> | |
2986 </section> | |
2987 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
2988 <output name="ctd_out" ftype="xml"> | |
2989 <assert_contents> | |
2990 <is_valid_xml/> | |
2991 </assert_contents> | |
2992 </output> | |
2993 </test> | |
2994 </xml> | |
2995 <xml name="autotest_FeatureFinderSuperHirn"> | |
2996 <test expect_num_outputs="2"> | |
2997 <conditional name="adv_opts_cond"> | |
2998 <param name="adv_opts_selector" value="advanced"/> | |
2999 <param name="force" value="false"/> | |
3000 <param name="test" value="true"/> | |
3001 </conditional> | |
3002 <param name="in" value="FeatureFinderSuperHirn_input_1.mzML"/> | |
3003 <output name="out" file="FeatureFinderSuperHirn_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
3004 <section name="algorithm"> | |
3005 <section name="centroiding"> | |
3006 <param name="active" value="false"/> | |
3007 <param name="window_width" value="5"/> | |
3008 <param name="absolute_isotope_mass_precision" value="0.01"/> | |
3009 <param name="relative_isotope_mass_precision" value="10.0"/> | |
3010 <param name="minimal_peak_height" value="0.0"/> | |
3011 <param name="min_ms_signal_intensity" value="50.0"/> | |
3012 </section> | |
3013 <section name="ms1"> | |
3014 <param name="precursor_detection_scan_levels" value="1"/> | |
3015 <param name="max_inter_scan_distance" value="0"/> | |
3016 <param name="tr_resolution" value="0.01"/> | |
3017 <param name="intensity_threshold" value="1000.0"/> | |
3018 <param name="max_inter_scan_rt_distance" value="0.1"/> | |
3019 <param name="min_nb_cluster_members" value="4"/> | |
3020 <param name="detectable_isotope_factor" value="0.05"/> | |
3021 <param name="intensity_cv" value="0.9"/> | |
3022 <param name="retention_time_tolerance" value="0.5"/> | |
3023 <param name="mz_tolerance" value="0.0"/> | |
3024 </section> | |
3025 <section name="ms1_feature_merger"> | |
3026 <param name="active" value="true"/> | |
3027 <param name="tr_resolution" value="0.01"/> | |
3028 <param name="initial_apex_tr_tolerance" value="5.0"/> | |
3029 <param name="feature_merging_tr_tolerance" value="1.0"/> | |
3030 <param name="intensity_variation_percentage" value="25.0"/> | |
3031 <param name="ppm_tolerance_for_mz_clustering" value="10.0"/> | |
3032 </section> | |
3033 <section name="ms1_feature_selection_options"> | |
3034 <param name="start_elution_window" value="0.0"/> | |
3035 <param name="end_elution_window" value="180.0"/> | |
3036 <param name="mz_range_min" value="0.0"/> | |
3037 <param name="mz_range_max" value="2000.0"/> | |
3038 <param name="chrg_range_min" value="1"/> | |
3039 <param name="chrg_range_max" value="5"/> | |
3040 </section> | |
3041 </section> | |
3042 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3043 <output name="ctd_out" ftype="xml"> | |
3044 <assert_contents> | |
3045 <is_valid_xml/> | |
3046 </assert_contents> | |
3047 </output> | |
3048 </test> | |
3049 <test expect_num_outputs="2"> | |
3050 <conditional name="adv_opts_cond"> | |
3051 <param name="adv_opts_selector" value="advanced"/> | |
3052 <param name="force" value="false"/> | |
3053 <param name="test" value="true"/> | |
3054 </conditional> | |
3055 <param name="in" value="FeatureFinderSuperHirn_input_2.mzML"/> | |
3056 <output name="out" file="FeatureFinderSuperHirn_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
3057 <section name="algorithm"> | |
3058 <section name="centroiding"> | |
3059 <param name="active" value="true"/> | |
3060 <param name="window_width" value="5"/> | |
3061 <param name="absolute_isotope_mass_precision" value="0.01"/> | |
3062 <param name="relative_isotope_mass_precision" value="10.0"/> | |
3063 <param name="minimal_peak_height" value="0.0"/> | |
3064 <param name="min_ms_signal_intensity" value="50.0"/> | |
3065 </section> | |
3066 <section name="ms1"> | |
3067 <param name="precursor_detection_scan_levels" value="1"/> | |
3068 <param name="max_inter_scan_distance" value="0"/> | |
3069 <param name="tr_resolution" value="0.01"/> | |
3070 <param name="intensity_threshold" value="1000.0"/> | |
3071 <param name="max_inter_scan_rt_distance" value="0.1"/> | |
3072 <param name="min_nb_cluster_members" value="4"/> | |
3073 <param name="detectable_isotope_factor" value="0.05"/> | |
3074 <param name="intensity_cv" value="0.9"/> | |
3075 <param name="retention_time_tolerance" value="0.5"/> | |
3076 <param name="mz_tolerance" value="0.0"/> | |
3077 </section> | |
3078 <section name="ms1_feature_merger"> | |
3079 <param name="active" value="true"/> | |
3080 <param name="tr_resolution" value="0.01"/> | |
3081 <param name="initial_apex_tr_tolerance" value="5.0"/> | |
3082 <param name="feature_merging_tr_tolerance" value="1.0"/> | |
3083 <param name="intensity_variation_percentage" value="25.0"/> | |
3084 <param name="ppm_tolerance_for_mz_clustering" value="10.0"/> | |
3085 </section> | |
3086 <section name="ms1_feature_selection_options"> | |
3087 <param name="start_elution_window" value="0.0"/> | |
3088 <param name="end_elution_window" value="180.0"/> | |
3089 <param name="mz_range_min" value="0.0"/> | |
3090 <param name="mz_range_max" value="2000.0"/> | |
3091 <param name="chrg_range_min" value="1"/> | |
3092 <param name="chrg_range_max" value="5"/> | |
3093 </section> | |
3094 </section> | |
3095 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3096 <output name="ctd_out" ftype="xml"> | |
3097 <assert_contents> | |
3098 <is_valid_xml/> | |
3099 </assert_contents> | |
3100 </output> | |
3101 </test> | |
3102 </xml> | |
3103 <xml name="autotest_FeatureLinkerLabeled"> | |
3104 <test expect_num_outputs="2"> | |
3105 <conditional name="adv_opts_cond"> | |
3106 <param name="adv_opts_selector" value="advanced"/> | |
3107 <param name="force" value="false"/> | |
3108 <param name="test" value="true"/> | |
3109 </conditional> | |
3110 <param name="in" value="FeatureLinkerLabeled_1_input.featureXML"/> | |
3111 <output name="out" file="FeatureLinkerLabeled_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3112 <section name="algorithm"> | |
3113 <param name="rt_estimate" value="false"/> | |
3114 <param name="rt_pair_dist" value="-1.0"/> | |
3115 <param name="rt_dev_low" value="0.4"/> | |
3116 <param name="rt_dev_high" value="0.4"/> | |
3117 <param name="mz_pair_dists" value="8.0"/> | |
3118 <param name="mz_dev" value="0.1"/> | |
3119 <param name="mrm" value="false"/> | |
3120 </section> | |
3121 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3122 <output name="ctd_out" ftype="xml"> | |
3123 <assert_contents> | |
3124 <is_valid_xml/> | |
3125 </assert_contents> | |
3126 </output> | |
3127 </test> | |
3128 <test expect_num_outputs="2"> | |
3129 <conditional name="adv_opts_cond"> | |
3130 <param name="adv_opts_selector" value="advanced"/> | |
3131 <param name="force" value="false"/> | |
3132 <param name="test" value="true"/> | |
3133 </conditional> | |
3134 <param name="in" value="FeatureLinkerLabeled_2_input.featureXML"/> | |
3135 <output name="out" file="FeatureLinkerLabeled_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3136 <section name="algorithm"> | |
3137 <param name="rt_estimate" value="true"/> | |
3138 <param name="rt_pair_dist" value="-121.0382"/> | |
3139 <param name="rt_dev_low" value="123.3965"/> | |
3140 <param name="rt_dev_high" value="123.3965"/> | |
3141 <param name="mz_pair_dists" value="4.0"/> | |
3142 <param name="mz_dev" value="0.1"/> | |
3143 <param name="mrm" value="false"/> | |
3144 </section> | |
3145 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3146 <output name="ctd_out" ftype="xml"> | |
3147 <assert_contents> | |
3148 <is_valid_xml/> | |
3149 </assert_contents> | |
3150 </output> | |
3151 </test> | |
3152 </xml> | |
3153 <xml name="autotest_FeatureLinkerUnlabeledKD"> | |
3154 <test expect_num_outputs="2"> | |
3155 <conditional name="adv_opts_cond"> | |
3156 <param name="adv_opts_selector" value="advanced"/> | |
3157 <param name="force" value="false"/> | |
3158 <param name="test" value="true"/> | |
3159 </conditional> | |
3160 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
3161 <output name="out" file="FeatureLinkerUnlabeledKD_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3162 <param name="keep_subelements" value="false"/> | |
3163 <section name="algorithm"> | |
3164 <param name="mz_unit" value="Da"/> | |
3165 <param name="nr_partitions" value="1"/> | |
3166 <section name="warp"> | |
3167 <param name="enabled" value="false"/> | |
3168 <param name="rt_tol" value="100.0"/> | |
3169 <param name="mz_tol" value="0.3"/> | |
3170 <param name="max_pairwise_log_fc" value="0.5"/> | |
3171 <param name="min_rel_cc_size" value="0.5"/> | |
3172 <param name="max_nr_conflicts" value="0"/> | |
3173 </section> | |
3174 <section name="link"> | |
3175 <param name="rt_tol" value="100.0"/> | |
3176 <param name="mz_tol" value="0.3"/> | |
3177 <param name="charge_merging" value="With_charge_zero"/> | |
3178 <param name="adduct_merging" value="Any"/> | |
3179 </section> | |
3180 <section name="distance_RT"> | |
3181 <param name="exponent" value="1.0"/> | |
3182 <param name="weight" value="1.0"/> | |
3183 </section> | |
3184 <section name="distance_MZ"> | |
3185 <param name="exponent" value="2.0"/> | |
3186 <param name="weight" value="1.0"/> | |
3187 </section> | |
3188 <section name="distance_intensity"> | |
3189 <param name="exponent" value="1.0"/> | |
3190 <param name="weight" value="1.0"/> | |
3191 <param name="log_transform" value="enabled"/> | |
3192 </section> | |
3193 <section name="LOWESS"> | |
3194 <param name="span" value="0.666666666666667"/> | |
3195 <param name="num_iterations" value="3"/> | |
3196 <param name="delta" value="-1.0"/> | |
3197 <param name="interpolation_type" value="cspline"/> | |
3198 <param name="extrapolation_type" value="four-point-linear"/> | |
3199 </section> | |
3200 </section> | |
3201 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3202 <output name="ctd_out" ftype="xml"> | |
3203 <assert_contents> | |
3204 <is_valid_xml/> | |
3205 </assert_contents> | |
3206 </output> | |
3207 </test> | |
3208 <test expect_num_outputs="2"> | |
3209 <conditional name="adv_opts_cond"> | |
3210 <param name="adv_opts_selector" value="advanced"/> | |
3211 <param name="force" value="false"/> | |
3212 <param name="test" value="true"/> | |
3213 </conditional> | |
3214 <param name="in" value="FeatureLinkerUnlabeledKD_1_output.consensusXML,FeatureLinkerUnlabeledKD_1_output_2.consensusXML"/> | |
3215 <output name="out" file="FeatureLinkerUnlabeledKD_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3216 <param name="keep_subelements" value="true"/> | |
3217 <section name="algorithm"> | |
3218 <param name="mz_unit" value="Da"/> | |
3219 <param name="nr_partitions" value="99999"/> | |
3220 <section name="warp"> | |
3221 <param name="enabled" value="false"/> | |
3222 <param name="rt_tol" value="100.0"/> | |
3223 <param name="mz_tol" value="0.3"/> | |
3224 <param name="max_pairwise_log_fc" value="0.5"/> | |
3225 <param name="min_rel_cc_size" value="0.5"/> | |
3226 <param name="max_nr_conflicts" value="0"/> | |
3227 </section> | |
3228 <section name="link"> | |
3229 <param name="rt_tol" value="100.0"/> | |
3230 <param name="mz_tol" value="0.3"/> | |
3231 <param name="charge_merging" value="With_charge_zero"/> | |
3232 <param name="adduct_merging" value="Any"/> | |
3233 </section> | |
3234 <section name="distance_RT"> | |
3235 <param name="exponent" value="1.0"/> | |
3236 <param name="weight" value="1.0"/> | |
3237 </section> | |
3238 <section name="distance_MZ"> | |
3239 <param name="exponent" value="2.0"/> | |
3240 <param name="weight" value="1.0"/> | |
3241 </section> | |
3242 <section name="distance_intensity"> | |
3243 <param name="exponent" value="1.0"/> | |
3244 <param name="weight" value="1.0"/> | |
3245 <param name="log_transform" value="enabled"/> | |
3246 </section> | |
3247 <section name="LOWESS"> | |
3248 <param name="span" value="0.666666666666667"/> | |
3249 <param name="num_iterations" value="3"/> | |
3250 <param name="delta" value="-1.0"/> | |
3251 <param name="interpolation_type" value="cspline"/> | |
3252 <param name="extrapolation_type" value="four-point-linear"/> | |
3253 </section> | |
3254 </section> | |
3255 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3256 <output name="ctd_out" ftype="xml"> | |
3257 <assert_contents> | |
3258 <is_valid_xml/> | |
3259 </assert_contents> | |
3260 </output> | |
3261 </test> | |
3262 <test expect_num_outputs="2"> | |
3263 <conditional name="adv_opts_cond"> | |
3264 <param name="adv_opts_selector" value="advanced"/> | |
3265 <param name="force" value="false"/> | |
3266 <param name="test" value="true"/> | |
3267 </conditional> | |
3268 <param name="in" value="FeatureLinkerUnlabeledQT_3_input1.featureXML,FeatureLinkerUnlabeledQT_3_input2.featureXML"/> | |
3269 <output name="out" file="FeatureLinkerUnlabeledKD_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3270 <param name="keep_subelements" value="false"/> | |
3271 <section name="algorithm"> | |
3272 <param name="mz_unit" value="Da"/> | |
3273 <param name="nr_partitions" value="100"/> | |
3274 <section name="warp"> | |
3275 <param name="enabled" value="false"/> | |
3276 <param name="rt_tol" value="100.0"/> | |
3277 <param name="mz_tol" value="0.3"/> | |
3278 <param name="max_pairwise_log_fc" value="0.5"/> | |
3279 <param name="min_rel_cc_size" value="0.5"/> | |
3280 <param name="max_nr_conflicts" value="0"/> | |
3281 </section> | |
3282 <section name="link"> | |
3283 <param name="rt_tol" value="100.0"/> | |
3284 <param name="mz_tol" value="0.3"/> | |
3285 <param name="charge_merging" value="With_charge_zero"/> | |
3286 <param name="adduct_merging" value="Any"/> | |
3287 </section> | |
3288 <section name="distance_RT"> | |
3289 <param name="exponent" value="1.0"/> | |
3290 <param name="weight" value="1.0"/> | |
3291 </section> | |
3292 <section name="distance_MZ"> | |
3293 <param name="exponent" value="2.0"/> | |
3294 <param name="weight" value="1.0"/> | |
3295 </section> | |
3296 <section name="distance_intensity"> | |
3297 <param name="exponent" value="1.0"/> | |
3298 <param name="weight" value="1.0"/> | |
3299 <param name="log_transform" value="enabled"/> | |
3300 </section> | |
3301 <section name="LOWESS"> | |
3302 <param name="span" value="0.666666666666667"/> | |
3303 <param name="num_iterations" value="3"/> | |
3304 <param name="delta" value="-1.0"/> | |
3305 <param name="interpolation_type" value="cspline"/> | |
3306 <param name="extrapolation_type" value="four-point-linear"/> | |
3307 </section> | |
3308 </section> | |
3309 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3310 <output name="ctd_out" ftype="xml"> | |
3311 <assert_contents> | |
3312 <is_valid_xml/> | |
3313 </assert_contents> | |
3314 </output> | |
3315 </test> | |
3316 <test expect_num_outputs="2"> | |
3317 <conditional name="adv_opts_cond"> | |
3318 <param name="adv_opts_selector" value="advanced"/> | |
3319 <param name="force" value="false"/> | |
3320 <param name="test" value="true"/> | |
3321 </conditional> | |
3322 <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"/> | |
3323 <output name="out" file="FeatureLinkerUnlabeledKD_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3324 <param name="keep_subelements" value="false"/> | |
3325 <section name="algorithm"> | |
3326 <param name="mz_unit" value="ppm"/> | |
3327 <param name="nr_partitions" value="100"/> | |
3328 <section name="warp"> | |
3329 <param name="enabled" value="true"/> | |
3330 <param name="rt_tol" value="100.0"/> | |
3331 <param name="mz_tol" value="5.0"/> | |
3332 <param name="max_pairwise_log_fc" value="0.5"/> | |
3333 <param name="min_rel_cc_size" value="0.5"/> | |
3334 <param name="max_nr_conflicts" value="0"/> | |
3335 </section> | |
3336 <section name="link"> | |
3337 <param name="rt_tol" value="30.0"/> | |
3338 <param name="mz_tol" value="10.0"/> | |
3339 <param name="charge_merging" value="Identical"/> | |
3340 <param name="adduct_merging" value="Any"/> | |
3341 </section> | |
3342 <section name="distance_RT"> | |
3343 <param name="exponent" value="1.0"/> | |
3344 <param name="weight" value="1.0"/> | |
3345 </section> | |
3346 <section name="distance_MZ"> | |
3347 <param name="exponent" value="2.0"/> | |
3348 <param name="weight" value="1.0"/> | |
3349 </section> | |
3350 <section name="distance_intensity"> | |
3351 <param name="exponent" value="1.0"/> | |
3352 <param name="weight" value="1.0"/> | |
3353 <param name="log_transform" value="enabled"/> | |
3354 </section> | |
3355 <section name="LOWESS"> | |
3356 <param name="span" value="0.666666666666667"/> | |
3357 <param name="num_iterations" value="3"/> | |
3358 <param name="delta" value="-1.0"/> | |
3359 <param name="interpolation_type" value="cspline"/> | |
3360 <param name="extrapolation_type" value="four-point-linear"/> | |
3361 </section> | |
3362 </section> | |
3363 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3364 <output name="ctd_out" ftype="xml"> | |
3365 <assert_contents> | |
3366 <is_valid_xml/> | |
3367 </assert_contents> | |
3368 </output> | |
3369 </test> | |
3370 <test expect_num_outputs="2"> | |
3371 <conditional name="adv_opts_cond"> | |
3372 <param name="adv_opts_selector" value="advanced"/> | |
3373 <param name="force" value="false"/> | |
3374 <param name="test" value="true"/> | |
3375 </conditional> | |
3376 <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"/> | |
3377 <output name="out" file="FeatureLinkerUnlabeledKD_5_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3378 <param name="keep_subelements" value="false"/> | |
3379 <section name="algorithm"> | |
3380 <param name="mz_unit" value="ppm"/> | |
3381 <param name="nr_partitions" value="100"/> | |
3382 <section name="warp"> | |
3383 <param name="enabled" value="true"/> | |
3384 <param name="rt_tol" value="100.0"/> | |
3385 <param name="mz_tol" value="5.0"/> | |
3386 <param name="max_pairwise_log_fc" value="0.5"/> | |
3387 <param name="min_rel_cc_size" value="0.5"/> | |
3388 <param name="max_nr_conflicts" value="0"/> | |
3389 </section> | |
3390 <section name="link"> | |
3391 <param name="rt_tol" value="30.0"/> | |
3392 <param name="mz_tol" value="10.0"/> | |
3393 <param name="charge_merging" value="With_charge_zero"/> | |
3394 <param name="adduct_merging" value="Any"/> | |
3395 </section> | |
3396 <section name="distance_RT"> | |
3397 <param name="exponent" value="1.0"/> | |
3398 <param name="weight" value="1.0"/> | |
3399 </section> | |
3400 <section name="distance_MZ"> | |
3401 <param name="exponent" value="2.0"/> | |
3402 <param name="weight" value="1.0"/> | |
3403 </section> | |
3404 <section name="distance_intensity"> | |
3405 <param name="exponent" value="1.0"/> | |
3406 <param name="weight" value="1.0"/> | |
3407 <param name="log_transform" value="enabled"/> | |
3408 </section> | |
3409 <section name="LOWESS"> | |
3410 <param name="span" value="0.666666666666667"/> | |
3411 <param name="num_iterations" value="3"/> | |
3412 <param name="delta" value="-1.0"/> | |
3413 <param name="interpolation_type" value="cspline"/> | |
3414 <param name="extrapolation_type" value="four-point-linear"/> | |
3415 </section> | |
3416 </section> | |
3417 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3418 <output name="ctd_out" ftype="xml"> | |
3419 <assert_contents> | |
3420 <is_valid_xml/> | |
3421 </assert_contents> | |
3422 </output> | |
3423 </test> | |
3424 <test expect_num_outputs="2"> | |
3425 <conditional name="adv_opts_cond"> | |
3426 <param name="adv_opts_selector" value="advanced"/> | |
3427 <param name="force" value="false"/> | |
3428 <param name="test" value="true"/> | |
3429 </conditional> | |
3430 <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"/> | |
3431 <output name="out" file="FeatureLinkerUnlabeledKD_6_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3432 <param name="keep_subelements" value="false"/> | |
3433 <section name="algorithm"> | |
3434 <param name="mz_unit" value="ppm"/> | |
3435 <param name="nr_partitions" value="100"/> | |
3436 <section name="warp"> | |
3437 <param name="enabled" value="true"/> | |
3438 <param name="rt_tol" value="100.0"/> | |
3439 <param name="mz_tol" value="5.0"/> | |
3440 <param name="max_pairwise_log_fc" value="0.5"/> | |
3441 <param name="min_rel_cc_size" value="0.5"/> | |
3442 <param name="max_nr_conflicts" value="0"/> | |
3443 </section> | |
3444 <section name="link"> | |
3445 <param name="rt_tol" value="30.0"/> | |
3446 <param name="mz_tol" value="10.0"/> | |
3447 <param name="charge_merging" value="Any"/> | |
3448 <param name="adduct_merging" value="With_unknown_adducts"/> | |
3449 </section> | |
3450 <section name="distance_RT"> | |
3451 <param name="exponent" value="1.0"/> | |
3452 <param name="weight" value="1.0"/> | |
3453 </section> | |
3454 <section name="distance_MZ"> | |
3455 <param name="exponent" value="2.0"/> | |
3456 <param name="weight" value="1.0"/> | |
3457 </section> | |
3458 <section name="distance_intensity"> | |
3459 <param name="exponent" value="1.0"/> | |
3460 <param name="weight" value="1.0"/> | |
3461 <param name="log_transform" value="enabled"/> | |
3462 </section> | |
3463 <section name="LOWESS"> | |
3464 <param name="span" value="0.666666666666667"/> | |
3465 <param name="num_iterations" value="3"/> | |
3466 <param name="delta" value="-1.0"/> | |
3467 <param name="interpolation_type" value="cspline"/> | |
3468 <param name="extrapolation_type" value="four-point-linear"/> | |
3469 </section> | |
3470 </section> | |
3471 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3472 <output name="ctd_out" ftype="xml"> | |
3473 <assert_contents> | |
3474 <is_valid_xml/> | |
3475 </assert_contents> | |
3476 </output> | |
3477 </test> | |
3478 <test expect_num_outputs="2"> | |
3479 <conditional name="adv_opts_cond"> | |
3480 <param name="adv_opts_selector" value="advanced"/> | |
3481 <param name="force" value="false"/> | |
3482 <param name="test" value="true"/> | |
3483 </conditional> | |
3484 <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"/> | |
3485 <output name="out" file="FeatureLinkerUnlabeledKD_7_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3486 <param name="keep_subelements" value="false"/> | |
3487 <section name="algorithm"> | |
3488 <param name="mz_unit" value="ppm"/> | |
3489 <param name="nr_partitions" value="100"/> | |
3490 <section name="warp"> | |
3491 <param name="enabled" value="true"/> | |
3492 <param name="rt_tol" value="100.0"/> | |
3493 <param name="mz_tol" value="5.0"/> | |
3494 <param name="max_pairwise_log_fc" value="0.5"/> | |
3495 <param name="min_rel_cc_size" value="0.5"/> | |
3496 <param name="max_nr_conflicts" value="0"/> | |
3497 </section> | |
3498 <section name="link"> | |
3499 <param name="rt_tol" value="30.0"/> | |
3500 <param name="mz_tol" value="10.0"/> | |
3501 <param name="charge_merging" value="Any"/> | |
3502 <param name="adduct_merging" value="Identical"/> | |
3503 </section> | |
3504 <section name="distance_RT"> | |
3505 <param name="exponent" value="1.0"/> | |
3506 <param name="weight" value="1.0"/> | |
3507 </section> | |
3508 <section name="distance_MZ"> | |
3509 <param name="exponent" value="2.0"/> | |
3510 <param name="weight" value="1.0"/> | |
3511 </section> | |
3512 <section name="distance_intensity"> | |
3513 <param name="exponent" value="1.0"/> | |
3514 <param name="weight" value="1.0"/> | |
3515 <param name="log_transform" value="enabled"/> | |
3516 </section> | |
3517 <section name="LOWESS"> | |
3518 <param name="span" value="0.666666666666667"/> | |
3519 <param name="num_iterations" value="3"/> | |
3520 <param name="delta" value="-1.0"/> | |
3521 <param name="interpolation_type" value="cspline"/> | |
3522 <param name="extrapolation_type" value="four-point-linear"/> | |
3523 </section> | |
3524 </section> | |
3525 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3526 <output name="ctd_out" ftype="xml"> | |
3527 <assert_contents> | |
3528 <is_valid_xml/> | |
3529 </assert_contents> | |
3530 </output> | |
3531 </test> | |
3532 </xml> | |
3533 <xml name="autotest_FeatureLinkerUnlabeledQT"> | |
3534 <test expect_num_outputs="2"> | |
3535 <conditional name="adv_opts_cond"> | |
3536 <param name="adv_opts_selector" value="advanced"/> | |
3537 <param name="force" value="false"/> | |
3538 <param name="test" value="true"/> | |
3539 </conditional> | |
3540 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
3541 <output name="out" file="FeatureLinkerUnlabeledQT_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3542 <param name="keep_subelements" value="false"/> | |
3543 <section name="algorithm"> | |
3544 <param name="use_identifications" value="false"/> | |
3545 <param name="nr_partitions" value="100"/> | |
3546 <param name="ignore_charge" value="false"/> | |
3547 <param name="ignore_adduct" value="true"/> | |
3548 <section name="distance_RT"> | |
3549 <param name="max_difference" value="100.0"/> | |
3550 <param name="exponent" value="1.0"/> | |
3551 <param name="weight" value="1.0"/> | |
3552 </section> | |
3553 <section name="distance_MZ"> | |
3554 <param name="max_difference" value="0.3"/> | |
3555 <param name="unit" value="Da"/> | |
3556 <param name="exponent" value="2.0"/> | |
3557 <param name="weight" value="1.0"/> | |
3558 </section> | |
3559 <section name="distance_intensity"> | |
3560 <param name="exponent" value="1.0"/> | |
3561 <param name="weight" value="0.0"/> | |
3562 <param name="log_transform" value="disabled"/> | |
3563 </section> | |
3564 </section> | |
3565 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3566 <output name="ctd_out" ftype="xml"> | |
3567 <assert_contents> | |
3568 <is_valid_xml/> | |
3569 </assert_contents> | |
3570 </output> | |
3571 </test> | |
3572 <test expect_num_outputs="2"> | |
3573 <conditional name="adv_opts_cond"> | |
3574 <param name="adv_opts_selector" value="advanced"/> | |
3575 <param name="force" value="false"/> | |
3576 <param name="test" value="true"/> | |
3577 </conditional> | |
3578 <param name="in" value="FeatureLinkerUnlabeledQT_1_output.consensusXML,FeatureLinkerUnlabeledQT_1_output_2.consensusXML"/> | |
3579 <output name="out" file="FeatureLinkerUnlabeledQT_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3580 <param name="keep_subelements" value="true"/> | |
3581 <section name="algorithm"> | |
3582 <param name="use_identifications" value="false"/> | |
3583 <param name="nr_partitions" value="100"/> | |
3584 <param name="ignore_charge" value="false"/> | |
3585 <param name="ignore_adduct" value="true"/> | |
3586 <section name="distance_RT"> | |
3587 <param name="max_difference" value="100.0"/> | |
3588 <param name="exponent" value="1.0"/> | |
3589 <param name="weight" value="1.0"/> | |
3590 </section> | |
3591 <section name="distance_MZ"> | |
3592 <param name="max_difference" value="0.3"/> | |
3593 <param name="unit" value="Da"/> | |
3594 <param name="exponent" value="2.0"/> | |
3595 <param name="weight" value="1.0"/> | |
3596 </section> | |
3597 <section name="distance_intensity"> | |
3598 <param name="exponent" value="1.0"/> | |
3599 <param name="weight" value="0.0"/> | |
3600 <param name="log_transform" value="disabled"/> | |
3601 </section> | |
3602 </section> | |
3603 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3604 <output name="ctd_out" ftype="xml"> | |
3605 <assert_contents> | |
3606 <is_valid_xml/> | |
3607 </assert_contents> | |
3608 </output> | |
3609 </test> | |
3610 <test expect_num_outputs="2"> | |
3611 <conditional name="adv_opts_cond"> | |
3612 <param name="adv_opts_selector" value="advanced"/> | |
3613 <param name="force" value="false"/> | |
3614 <param name="test" value="true"/> | |
3615 </conditional> | |
3616 <param name="in" value="FeatureLinkerUnlabeledQT_3_input1.featureXML,FeatureLinkerUnlabeledQT_3_input2.featureXML"/> | |
3617 <output name="out" file="FeatureLinkerUnlabeledQT_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3618 <param name="keep_subelements" value="false"/> | |
3619 <section name="algorithm"> | |
3620 <param name="use_identifications" value="false"/> | |
3621 <param name="nr_partitions" value="99999"/> | |
3622 <param name="ignore_charge" value="false"/> | |
3623 <param name="ignore_adduct" value="true"/> | |
3624 <section name="distance_RT"> | |
3625 <param name="max_difference" value="100.0"/> | |
3626 <param name="exponent" value="1.0"/> | |
3627 <param name="weight" value="1.0"/> | |
3628 </section> | |
3629 <section name="distance_MZ"> | |
3630 <param name="max_difference" value="0.3"/> | |
3631 <param name="unit" value="Da"/> | |
3632 <param name="exponent" value="2.0"/> | |
3633 <param name="weight" value="1.0"/> | |
3634 </section> | |
3635 <section name="distance_intensity"> | |
3636 <param name="exponent" value="1.0"/> | |
3637 <param name="weight" value="0.0"/> | |
3638 <param name="log_transform" value="disabled"/> | |
3639 </section> | |
3640 </section> | |
3641 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3642 <output name="ctd_out" ftype="xml"> | |
3643 <assert_contents> | |
3644 <is_valid_xml/> | |
3645 </assert_contents> | |
3646 </output> | |
3647 </test> | |
3648 <test expect_num_outputs="2"> | |
3649 <conditional name="adv_opts_cond"> | |
3650 <param name="adv_opts_selector" value="advanced"/> | |
3651 <param name="force" value="false"/> | |
3652 <param name="test" value="true"/> | |
3653 </conditional> | |
3654 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
3655 <output name="out" file="FeatureLinkerUnlabeledQT_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3656 <param name="keep_subelements" value="false"/> | |
3657 <section name="algorithm"> | |
3658 <param name="use_identifications" value="true"/> | |
3659 <param name="nr_partitions" value="100"/> | |
3660 <param name="ignore_charge" value="false"/> | |
3661 <param name="ignore_adduct" value="true"/> | |
3662 <section name="distance_RT"> | |
3663 <param name="max_difference" value="100.0"/> | |
3664 <param name="exponent" value="1.0"/> | |
3665 <param name="weight" value="1.0"/> | |
3666 </section> | |
3667 <section name="distance_MZ"> | |
3668 <param name="max_difference" value="0.3"/> | |
3669 <param name="unit" value="Da"/> | |
3670 <param name="exponent" value="2.0"/> | |
3671 <param name="weight" value="1.0"/> | |
3672 </section> | |
3673 <section name="distance_intensity"> | |
3674 <param name="exponent" value="1.0"/> | |
3675 <param name="weight" value="0.0"/> | |
3676 <param name="log_transform" value="disabled"/> | |
3677 </section> | |
3678 </section> | |
3679 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3680 <output name="ctd_out" ftype="xml"> | |
3681 <assert_contents> | |
3682 <is_valid_xml/> | |
3683 </assert_contents> | |
3684 </output> | |
3685 </test> | |
3686 <test expect_num_outputs="2"> | |
3687 <conditional name="adv_opts_cond"> | |
3688 <param name="adv_opts_selector" value="advanced"/> | |
3689 <param name="force" value="false"/> | |
3690 <param name="test" value="true"/> | |
3691 </conditional> | |
3692 <param name="in" value="FeatureLinkerUnlabeledQT_5_input1.featureXML,FeatureLinkerUnlabeledQT_5_input2.featureXML,FeatureLinkerUnlabeledQT_5_input3.featureXML"/> | |
3693 <output name="out" file="FeatureLinkerUnlabeledQT_5_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3694 <param name="keep_subelements" value="false"/> | |
3695 <section name="algorithm"> | |
3696 <param name="use_identifications" value="false"/> | |
3697 <param name="nr_partitions" value="100"/> | |
3698 <param name="ignore_charge" value="false"/> | |
3699 <param name="ignore_adduct" value="true"/> | |
3700 <section name="distance_RT"> | |
3701 <param name="max_difference" value="200.0"/> | |
3702 <param name="exponent" value="1.0"/> | |
3703 <param name="weight" value="1.0"/> | |
3704 </section> | |
3705 <section name="distance_MZ"> | |
3706 <param name="max_difference" value="0.3"/> | |
3707 <param name="unit" value="Da"/> | |
3708 <param name="exponent" value="2.0"/> | |
3709 <param name="weight" value="1.0"/> | |
3710 </section> | |
3711 <section name="distance_intensity"> | |
3712 <param name="exponent" value="1.0"/> | |
3713 <param name="weight" value="0.0"/> | |
3714 <param name="log_transform" value="disabled"/> | |
3715 </section> | |
3716 </section> | |
3717 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3718 <output name="ctd_out" ftype="xml"> | |
3719 <assert_contents> | |
3720 <is_valid_xml/> | |
3721 </assert_contents> | |
3722 </output> | |
3723 </test> | |
3724 <test expect_num_outputs="2"> | |
3725 <conditional name="adv_opts_cond"> | |
3726 <param name="adv_opts_selector" value="advanced"/> | |
3727 <param name="force" value="false"/> | |
3728 <param name="test" value="true"/> | |
3729 </conditional> | |
3730 <param name="in" value="FeatureLinkerUnlabeledQT_5_input1.featureXML,FeatureLinkerUnlabeledQT_5_input2.featureXML,FeatureLinkerUnlabeledQT_5_input3.featureXML"/> | |
3731 <output name="out" file="FeatureLinkerUnlabeledQT_6_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3732 <param name="keep_subelements" value="false"/> | |
3733 <section name="algorithm"> | |
3734 <param name="use_identifications" value="true"/> | |
3735 <param name="nr_partitions" value="100"/> | |
3736 <param name="ignore_charge" value="false"/> | |
3737 <param name="ignore_adduct" value="true"/> | |
3738 <section name="distance_RT"> | |
3739 <param name="max_difference" value="200.0"/> | |
3740 <param name="exponent" value="1.0"/> | |
3741 <param name="weight" value="1.0"/> | |
3742 </section> | |
3743 <section name="distance_MZ"> | |
3744 <param name="max_difference" value="0.3"/> | |
3745 <param name="unit" value="Da"/> | |
3746 <param name="exponent" value="2.0"/> | |
3747 <param name="weight" value="1.0"/> | |
3748 </section> | |
3749 <section name="distance_intensity"> | |
3750 <param name="exponent" value="1.0"/> | |
3751 <param name="weight" value="0.0"/> | |
3752 <param name="log_transform" value="disabled"/> | |
3753 </section> | |
3754 </section> | |
3755 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3756 <output name="ctd_out" ftype="xml"> | |
3757 <assert_contents> | |
3758 <is_valid_xml/> | |
3759 </assert_contents> | |
3760 </output> | |
3761 </test> | |
3762 </xml> | |
3763 <xml name="autotest_FeatureLinkerUnlabeled"> | |
3764 <test expect_num_outputs="2"> | |
3765 <conditional name="adv_opts_cond"> | |
3766 <param name="adv_opts_selector" value="advanced"/> | |
3767 <param name="force" value="false"/> | |
3768 <param name="test" value="true"/> | |
3769 </conditional> | |
3770 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
3771 <output name="out" file="FeatureLinkerUnlabeled_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3772 <param name="keep_subelements" value="false"/> | |
3773 <section name="algorithm"> | |
3774 <param name="second_nearest_gap" value="2.0"/> | |
3775 <param name="use_identifications" value="false"/> | |
3776 <param name="ignore_charge" value="true"/> | |
3777 <param name="ignore_adduct" value="true"/> | |
3778 <section name="distance_RT"> | |
3779 <param name="max_difference" value="200.0"/> | |
3780 <param name="exponent" value="1.0"/> | |
3781 <param name="weight" value="1.0"/> | |
3782 </section> | |
3783 <section name="distance_MZ"> | |
3784 <param name="max_difference" value="0.5"/> | |
3785 <param name="unit" value="Da"/> | |
3786 <param name="exponent" value="1.0"/> | |
3787 <param name="weight" value="1.0"/> | |
3788 </section> | |
3789 <section name="distance_intensity"> | |
3790 <param name="exponent" value="1.0"/> | |
3791 <param name="weight" value="0.0"/> | |
3792 <param name="log_transform" value="disabled"/> | |
3793 </section> | |
3794 </section> | |
3795 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3796 <output name="ctd_out" ftype="xml"> | |
3797 <assert_contents> | |
3798 <is_valid_xml/> | |
3799 </assert_contents> | |
3800 </output> | |
3801 </test> | |
3802 <test expect_num_outputs="2"> | |
3803 <conditional name="adv_opts_cond"> | |
3804 <param name="adv_opts_selector" value="advanced"/> | |
3805 <param name="force" value="false"/> | |
3806 <param name="test" value="true"/> | |
3807 </conditional> | |
3808 <param name="in" value="FeatureLinkerUnlabeled_2_input1.featureXML,FeatureLinkerUnlabeled_2_input2.featureXML,FeatureLinkerUnlabeled_2_input3.featureXML"/> | |
3809 <output name="out" file="FeatureLinkerUnlabeled_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3810 <param name="keep_subelements" value="false"/> | |
3811 <section name="algorithm"> | |
3812 <param name="second_nearest_gap" value="2.0"/> | |
3813 <param name="use_identifications" value="false"/> | |
3814 <param name="ignore_charge" value="false"/> | |
3815 <param name="ignore_adduct" value="true"/> | |
3816 <section name="distance_RT"> | |
3817 <param name="max_difference" value="100.0"/> | |
3818 <param name="exponent" value="1.0"/> | |
3819 <param name="weight" value="1.0"/> | |
3820 </section> | |
3821 <section name="distance_MZ"> | |
3822 <param name="max_difference" value="0.3"/> | |
3823 <param name="unit" value="Da"/> | |
3824 <param name="exponent" value="2.0"/> | |
3825 <param name="weight" value="1.0"/> | |
3826 </section> | |
3827 <section name="distance_intensity"> | |
3828 <param name="exponent" value="1.0"/> | |
3829 <param name="weight" value="0.5"/> | |
3830 <param name="log_transform" value="disabled"/> | |
3831 </section> | |
3832 </section> | |
3833 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3834 <output name="ctd_out" ftype="xml"> | |
3835 <assert_contents> | |
3836 <is_valid_xml/> | |
3837 </assert_contents> | |
3838 </output> | |
3839 </test> | |
3840 <test expect_num_outputs="2"> | |
3841 <conditional name="adv_opts_cond"> | |
3842 <param name="adv_opts_selector" value="advanced"/> | |
3843 <param name="force" value="false"/> | |
3844 <param name="test" value="true"/> | |
3845 </conditional> | |
3846 <param name="in" value="FeatureLinkerUnlabeled_3_input1.featureXML,FeatureLinkerUnlabeled_3_input2.featureXML"/> | |
3847 <output name="out" file="FeatureLinkerUnlabeled_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3848 <param name="keep_subelements" value="false"/> | |
3849 <section name="algorithm"> | |
3850 <param name="second_nearest_gap" value="1.5"/> | |
3851 <param name="use_identifications" value="false"/> | |
3852 <param name="ignore_charge" value="true"/> | |
3853 <param name="ignore_adduct" value="true"/> | |
3854 <section name="distance_RT"> | |
3855 <param name="max_difference" value="30.0"/> | |
3856 <param name="exponent" value="1.0"/> | |
3857 <param name="weight" value="1.0"/> | |
3858 </section> | |
3859 <section name="distance_MZ"> | |
3860 <param name="max_difference" value="0.3"/> | |
3861 <param name="unit" value="Da"/> | |
3862 <param name="exponent" value="2.0"/> | |
3863 <param name="weight" value="1.0"/> | |
3864 </section> | |
3865 <section name="distance_intensity"> | |
3866 <param name="exponent" value="1.0"/> | |
3867 <param name="weight" value="0.0"/> | |
3868 <param name="log_transform" value="disabled"/> | |
3869 </section> | |
3870 </section> | |
3871 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3872 <output name="ctd_out" ftype="xml"> | |
3873 <assert_contents> | |
3874 <is_valid_xml/> | |
3875 </assert_contents> | |
3876 </output> | |
3877 </test> | |
3878 <test expect_num_outputs="2"> | |
3879 <conditional name="adv_opts_cond"> | |
3880 <param name="adv_opts_selector" value="advanced"/> | |
3881 <param name="force" value="false"/> | |
3882 <param name="test" value="true"/> | |
3883 </conditional> | |
3884 <param name="in" value="FeatureLinkerUnlabeled_1_input1.featureXML,FeatureLinkerUnlabeled_1_input2.featureXML,FeatureLinkerUnlabeled_1_input3.featureXML"/> | |
3885 <output name="out" file="FeatureLinkerUnlabeled_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
3886 <param name="keep_subelements" value="false"/> | |
3887 <section name="algorithm"> | |
3888 <param name="second_nearest_gap" value="2.0"/> | |
3889 <param name="use_identifications" value="true"/> | |
3890 <param name="ignore_charge" value="true"/> | |
3891 <param name="ignore_adduct" value="true"/> | |
3892 <section name="distance_RT"> | |
3893 <param name="max_difference" value="200.0"/> | |
3894 <param name="exponent" value="2.0"/> | |
3895 <param name="weight" value="1.0"/> | |
3896 </section> | |
3897 <section name="distance_MZ"> | |
3898 <param name="max_difference" value="0.5"/> | |
3899 <param name="unit" value="Da"/> | |
3900 <param name="exponent" value="2.0"/> | |
3901 <param name="weight" value="1.0"/> | |
3902 </section> | |
3903 <section name="distance_intensity"> | |
3904 <param name="exponent" value="1.0"/> | |
3905 <param name="weight" value="0.0"/> | |
3906 <param name="log_transform" value="disabled"/> | |
3907 </section> | |
3908 </section> | |
3909 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3910 <output name="ctd_out" ftype="xml"> | |
3911 <assert_contents> | |
3912 <is_valid_xml/> | |
3913 </assert_contents> | |
3914 </output> | |
3915 </test> | |
3916 </xml> | |
3917 <xml name="autotest_FFEval"> | |
3918 </xml> | |
3919 <xml name="autotest_FidoAdapter"> | |
3920 <test expect_num_outputs="2"> | |
3921 <conditional name="adv_opts_cond"> | |
3922 <param name="adv_opts_selector" value="advanced"/> | |
3923 <param name="keep_zero_group" value="false"/> | |
3924 <param name="accuracy" value=""/> | |
3925 <param name="log2_states_precalc" value="0"/> | |
3926 <param name="force" value="false"/> | |
3927 <param name="test" value="true"/> | |
3928 </conditional> | |
3929 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
3930 <output name="out" file="FidoAdapter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
3931 <param name="separate_runs" value="false"/> | |
3932 <param name="greedy_group_resolution" value="false"/> | |
3933 <param name="no_cleanup" value="false"/> | |
3934 <param name="all_PSMs" value="false"/> | |
3935 <param name="group_level" value="false"/> | |
3936 <param name="log2_states" value="0"/> | |
3937 <section name="prob"> | |
3938 <param name="protein" value="0.0"/> | |
3939 <param name="peptide" value="0.0"/> | |
3940 <param name="spurious" value="0.0"/> | |
3941 </section> | |
3942 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3943 <output name="ctd_out" ftype="xml"> | |
3944 <assert_contents> | |
3945 <is_valid_xml/> | |
3946 </assert_contents> | |
3947 </output> | |
3948 </test> | |
3949 <test expect_num_outputs="2"> | |
3950 <conditional name="adv_opts_cond"> | |
3951 <param name="adv_opts_selector" value="advanced"/> | |
3952 <param name="keep_zero_group" value="false"/> | |
3953 <param name="accuracy" value=""/> | |
3954 <param name="log2_states_precalc" value="0"/> | |
3955 <param name="force" value="false"/> | |
3956 <param name="test" value="true"/> | |
3957 </conditional> | |
3958 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
3959 <output name="out" file="FidoAdapter_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
3960 <param name="separate_runs" value="true"/> | |
3961 <param name="greedy_group_resolution" value="false"/> | |
3962 <param name="no_cleanup" value="false"/> | |
3963 <param name="all_PSMs" value="false"/> | |
3964 <param name="group_level" value="false"/> | |
3965 <param name="log2_states" value="0"/> | |
3966 <section name="prob"> | |
3967 <param name="protein" value="0.0"/> | |
3968 <param name="peptide" value="0.0"/> | |
3969 <param name="spurious" value="0.0"/> | |
3970 </section> | |
3971 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
3972 <output name="ctd_out" ftype="xml"> | |
3973 <assert_contents> | |
3974 <is_valid_xml/> | |
3975 </assert_contents> | |
3976 </output> | |
3977 </test> | |
3978 <test expect_num_outputs="2"> | |
3979 <conditional name="adv_opts_cond"> | |
3980 <param name="adv_opts_selector" value="advanced"/> | |
3981 <param name="keep_zero_group" value="false"/> | |
3982 <param name="accuracy" value=""/> | |
3983 <param name="log2_states_precalc" value="0"/> | |
3984 <param name="force" value="false"/> | |
3985 <param name="test" value="true"/> | |
3986 </conditional> | |
3987 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
3988 <output name="out" file="FidoAdapter_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
3989 <param name="separate_runs" value="false"/> | |
3990 <param name="greedy_group_resolution" value="false"/> | |
3991 <param name="no_cleanup" value="false"/> | |
3992 <param name="all_PSMs" value="true"/> | |
3993 <param name="group_level" value="true"/> | |
3994 <param name="log2_states" value="0"/> | |
3995 <section name="prob"> | |
3996 <param name="protein" value="0.0"/> | |
3997 <param name="peptide" value="0.0"/> | |
3998 <param name="spurious" value="0.0"/> | |
3999 </section> | |
4000 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4001 <output name="ctd_out" ftype="xml"> | |
4002 <assert_contents> | |
4003 <is_valid_xml/> | |
4004 </assert_contents> | |
4005 </output> | |
4006 </test> | |
4007 <test expect_num_outputs="2"> | |
4008 <conditional name="adv_opts_cond"> | |
4009 <param name="adv_opts_selector" value="advanced"/> | |
4010 <param name="keep_zero_group" value="false"/> | |
4011 <param name="accuracy" value=""/> | |
4012 <param name="log2_states_precalc" value="0"/> | |
4013 <param name="force" value="false"/> | |
4014 <param name="test" value="true"/> | |
4015 </conditional> | |
4016 <param name="in" value="FidoAdapter_4_input.idXML"/> | |
4017 <output name="out" file="FidoAdapter_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
4018 <param name="separate_runs" value="false"/> | |
4019 <param name="greedy_group_resolution" value="false"/> | |
4020 <param name="no_cleanup" value="false"/> | |
4021 <param name="all_PSMs" value="false"/> | |
4022 <param name="group_level" value="false"/> | |
4023 <param name="log2_states" value="0"/> | |
4024 <section name="prob"> | |
4025 <param name="protein" value="0.0"/> | |
4026 <param name="peptide" value="0.0"/> | |
4027 <param name="spurious" value="0.0"/> | |
4028 </section> | |
4029 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4030 <output name="ctd_out" ftype="xml"> | |
4031 <assert_contents> | |
4032 <is_valid_xml/> | |
4033 </assert_contents> | |
4034 </output> | |
4035 </test> | |
4036 <test expect_num_outputs="2"> | |
4037 <conditional name="adv_opts_cond"> | |
4038 <param name="adv_opts_selector" value="advanced"/> | |
4039 <param name="keep_zero_group" value="false"/> | |
4040 <param name="accuracy" value=""/> | |
4041 <param name="log2_states_precalc" value="0"/> | |
4042 <param name="force" value="false"/> | |
4043 <param name="test" value="true"/> | |
4044 </conditional> | |
4045 <param name="in" value="FidoAdapter_5_input.idXML"/> | |
4046 <output name="out" file="FidoAdapter_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
4047 <param name="separate_runs" value="false"/> | |
4048 <param name="greedy_group_resolution" value="true"/> | |
4049 <param name="no_cleanup" value="false"/> | |
4050 <param name="all_PSMs" value="false"/> | |
4051 <param name="group_level" value="false"/> | |
4052 <param name="log2_states" value="0"/> | |
4053 <section name="prob"> | |
4054 <param name="protein" value="0.0"/> | |
4055 <param name="peptide" value="0.0"/> | |
4056 <param name="spurious" value="0.0"/> | |
4057 </section> | |
4058 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4059 <output name="ctd_out" ftype="xml"> | |
4060 <assert_contents> | |
4061 <is_valid_xml/> | |
4062 </assert_contents> | |
4063 </output> | |
4064 </test> | |
4065 <test expect_num_outputs="2"> | |
4066 <conditional name="adv_opts_cond"> | |
4067 <param name="adv_opts_selector" value="advanced"/> | |
4068 <param name="keep_zero_group" value="false"/> | |
4069 <param name="accuracy" value=""/> | |
4070 <param name="log2_states_precalc" value="0"/> | |
4071 <param name="force" value="false"/> | |
4072 <param name="test" value="true"/> | |
4073 </conditional> | |
4074 <param name="in" value="FidoAdapter_1_input.idXML"/> | |
4075 <output name="out" file="FidoAdapter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
4076 <param name="separate_runs" value="false"/> | |
4077 <param name="greedy_group_resolution" value="false"/> | |
4078 <param name="no_cleanup" value="false"/> | |
4079 <param name="all_PSMs" value="false"/> | |
4080 <param name="group_level" value="false"/> | |
4081 <param name="log2_states" value="0"/> | |
4082 <section name="prob"> | |
4083 <param name="protein" value="0.9"/> | |
4084 <param name="peptide" value="0.01"/> | |
4085 <param name="spurious" value="0.0"/> | |
4086 </section> | |
4087 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4088 <output name="ctd_out" ftype="xml"> | |
4089 <assert_contents> | |
4090 <is_valid_xml/> | |
4091 </assert_contents> | |
4092 </output> | |
4093 </test> | |
4094 </xml> | |
4095 <xml name="autotest_FileConverter"> | |
4096 <test expect_num_outputs="2"> | |
4097 <conditional name="adv_opts_cond"> | |
4098 <param name="adv_opts_selector" value="advanced"/> | |
4099 <param name="UID_postprocessing" value="ensure"/> | |
4100 <param name="TIC_DTA2D" value="false"/> | |
4101 <param name="MGF_compact" value="false"/> | |
4102 <param name="force_MaxQuant_compatibility" value="false"/> | |
4103 <param name="convert_to_chromatograms" value="false"/> | |
4104 <param name="force_TPP_compatibility" value="false"/> | |
4105 <param name="change_im_format" value="none"/> | |
4106 <param name="write_scan_index" value="true"/> | |
4107 <param name="lossy_compression" value="false"/> | |
4108 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4109 <param name="process_lowmemory" value="false"/> | |
4110 <param name="no_peak_picking" value="false"/> | |
4111 <param name="force" value="false"/> | |
4112 <param name="test" value="true"/> | |
4113 </conditional> | |
4114 <param name="in" value="FileConverter_1_input.mzData"/> | |
4115 <output name="out" file="FileConverter_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4116 <param name="out_type" value="mzML"/> | |
4117 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4118 <output name="ctd_out" ftype="xml"> | |
4119 <assert_contents> | |
4120 <is_valid_xml/> | |
4121 </assert_contents> | |
4122 </output> | |
4123 </test> | |
4124 <test expect_num_outputs="2"> | |
4125 <conditional name="adv_opts_cond"> | |
4126 <param name="adv_opts_selector" value="advanced"/> | |
4127 <param name="UID_postprocessing" value="ensure"/> | |
4128 <param name="TIC_DTA2D" value="false"/> | |
4129 <param name="MGF_compact" value="false"/> | |
4130 <param name="force_MaxQuant_compatibility" value="false"/> | |
4131 <param name="convert_to_chromatograms" value="false"/> | |
4132 <param name="force_TPP_compatibility" value="false"/> | |
4133 <param name="change_im_format" value="none"/> | |
4134 <param name="write_scan_index" value="true"/> | |
4135 <param name="lossy_compression" value="false"/> | |
4136 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4137 <param name="process_lowmemory" value="false"/> | |
4138 <param name="no_peak_picking" value="false"/> | |
4139 <param name="force" value="false"/> | |
4140 <param name="test" value="true"/> | |
4141 </conditional> | |
4142 <param name="in" value="FileConverter_2_input.someInputDTA2D"/> | |
4143 <output name="out" file="FileConverter_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4144 <param name="out_type" value="mzML"/> | |
4145 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4146 <output name="ctd_out" ftype="xml"> | |
4147 <assert_contents> | |
4148 <is_valid_xml/> | |
4149 </assert_contents> | |
4150 </output> | |
4151 </test> | |
4152 <test expect_num_outputs="2"> | |
4153 <conditional name="adv_opts_cond"> | |
4154 <param name="adv_opts_selector" value="advanced"/> | |
4155 <param name="UID_postprocessing" value="ensure"/> | |
4156 <param name="TIC_DTA2D" value="false"/> | |
4157 <param name="MGF_compact" value="false"/> | |
4158 <param name="force_MaxQuant_compatibility" value="false"/> | |
4159 <param name="convert_to_chromatograms" value="false"/> | |
4160 <param name="force_TPP_compatibility" value="false"/> | |
4161 <param name="change_im_format" value="none"/> | |
4162 <param name="write_scan_index" value="true"/> | |
4163 <param name="lossy_compression" value="false"/> | |
4164 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4165 <param name="process_lowmemory" value="false"/> | |
4166 <param name="no_peak_picking" value="false"/> | |
4167 <param name="force" value="false"/> | |
4168 <param name="test" value="true"/> | |
4169 </conditional> | |
4170 <param name="in" value="FileConverter_3_input.featureXML"/> | |
4171 <output name="out" file="FileConverter_3_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4172 <param name="out_type" value="mzML"/> | |
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 <test expect_num_outputs="2"> | |
4181 <conditional name="adv_opts_cond"> | |
4182 <param name="adv_opts_selector" value="advanced"/> | |
4183 <param name="UID_postprocessing" value="ensure"/> | |
4184 <param name="TIC_DTA2D" value="false"/> | |
4185 <param name="MGF_compact" value="false"/> | |
4186 <param name="force_MaxQuant_compatibility" value="false"/> | |
4187 <param name="convert_to_chromatograms" value="false"/> | |
4188 <param name="force_TPP_compatibility" value="false"/> | |
4189 <param name="change_im_format" value="none"/> | |
4190 <param name="write_scan_index" value="true"/> | |
4191 <param name="lossy_compression" value="false"/> | |
4192 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4193 <param name="process_lowmemory" value="false"/> | |
4194 <param name="no_peak_picking" value="false"/> | |
4195 <param name="force" value="false"/> | |
4196 <param name="test" value="true"/> | |
4197 </conditional> | |
4198 <param name="in" value="FileConverter_4_input.mzXML"/> | |
4199 <output name="out" file="FileConverter_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4200 <param name="out_type" value="mzML"/> | |
4201 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4202 <output name="ctd_out" ftype="xml"> | |
4203 <assert_contents> | |
4204 <is_valid_xml/> | |
4205 </assert_contents> | |
4206 </output> | |
4207 </test> | |
4208 <test expect_num_outputs="2"> | |
4209 <conditional name="adv_opts_cond"> | |
4210 <param name="adv_opts_selector" value="advanced"/> | |
4211 <param name="UID_postprocessing" value="ensure"/> | |
4212 <param name="TIC_DTA2D" value="false"/> | |
4213 <param name="MGF_compact" value="false"/> | |
4214 <param name="force_MaxQuant_compatibility" value="false"/> | |
4215 <param name="convert_to_chromatograms" value="false"/> | |
4216 <param name="force_TPP_compatibility" value="false"/> | |
4217 <param name="change_im_format" value="none"/> | |
4218 <param name="write_scan_index" value="true"/> | |
4219 <param name="lossy_compression" value="false"/> | |
4220 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4221 <param name="process_lowmemory" value="false"/> | |
4222 <param name="no_peak_picking" value="false"/> | |
4223 <param name="force" value="false"/> | |
4224 <param name="test" value="true"/> | |
4225 </conditional> | |
4226 <param name="in" value="FileConverter_5_input.mzML"/> | |
4227 <output name="out" file="FileConverter_5_output.mzXML" compare="sim_size" delta="5700" ftype="mzxml"/> | |
4228 <param name="out_type" value="mzXML"/> | |
4229 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4230 <output name="ctd_out" ftype="xml"> | |
4231 <assert_contents> | |
4232 <is_valid_xml/> | |
4233 </assert_contents> | |
4234 </output> | |
4235 </test> | |
4236 <test expect_num_outputs="2"> | |
4237 <conditional name="adv_opts_cond"> | |
4238 <param name="adv_opts_selector" value="advanced"/> | |
4239 <param name="UID_postprocessing" value="ensure"/> | |
4240 <param name="TIC_DTA2D" value="false"/> | |
4241 <param name="MGF_compact" value="false"/> | |
4242 <param name="force_MaxQuant_compatibility" value="false"/> | |
4243 <param name="convert_to_chromatograms" value="false"/> | |
4244 <param name="force_TPP_compatibility" value="false"/> | |
4245 <param name="change_im_format" value="none"/> | |
4246 <param name="write_scan_index" value="true"/> | |
4247 <param name="lossy_compression" value="false"/> | |
4248 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4249 <param name="process_lowmemory" value="false"/> | |
4250 <param name="no_peak_picking" value="false"/> | |
4251 <param name="force" value="false"/> | |
4252 <param name="test" value="true"/> | |
4253 </conditional> | |
4254 <param name="in" value="FileConverter_6_input.mzML"/> | |
4255 <output name="out" file="FileConverter_6_output.mzXML" compare="sim_size" delta="5700" ftype="mzxml"/> | |
4256 <param name="out_type" value="mzXML"/> | |
4257 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4258 <output name="ctd_out" ftype="xml"> | |
4259 <assert_contents> | |
4260 <is_valid_xml/> | |
4261 </assert_contents> | |
4262 </output> | |
4263 </test> | |
4264 <test expect_num_outputs="2"> | |
4265 <conditional name="adv_opts_cond"> | |
4266 <param name="adv_opts_selector" value="advanced"/> | |
4267 <param name="UID_postprocessing" value="ensure"/> | |
4268 <param name="TIC_DTA2D" value="false"/> | |
4269 <param name="MGF_compact" value="false"/> | |
4270 <param name="force_MaxQuant_compatibility" value="false"/> | |
4271 <param name="convert_to_chromatograms" value="false"/> | |
4272 <param name="force_TPP_compatibility" value="false"/> | |
4273 <param name="change_im_format" value="none"/> | |
4274 <param name="write_scan_index" value="true"/> | |
4275 <param name="lossy_compression" value="false"/> | |
4276 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4277 <param name="process_lowmemory" value="false"/> | |
4278 <param name="no_peak_picking" value="false"/> | |
4279 <param name="force" value="false"/> | |
4280 <param name="test" value="true"/> | |
4281 </conditional> | |
4282 <param name="in" value="FileConverter_7_input.consensusXML"/> | |
4283 <output name="out" file="FileConverter_7_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4284 <param name="out_type" value="featureXML"/> | |
4285 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4286 <output name="ctd_out" ftype="xml"> | |
4287 <assert_contents> | |
4288 <is_valid_xml/> | |
4289 </assert_contents> | |
4290 </output> | |
4291 </test> | |
4292 <test expect_num_outputs="2"> | |
4293 <conditional name="adv_opts_cond"> | |
4294 <param name="adv_opts_selector" value="advanced"/> | |
4295 <param name="UID_postprocessing" value="ensure"/> | |
4296 <param name="TIC_DTA2D" value="false"/> | |
4297 <param name="MGF_compact" value="false"/> | |
4298 <param name="force_MaxQuant_compatibility" value="false"/> | |
4299 <param name="convert_to_chromatograms" value="false"/> | |
4300 <param name="force_TPP_compatibility" value="false"/> | |
4301 <param name="change_im_format" value="none"/> | |
4302 <param name="write_scan_index" value="true"/> | |
4303 <param name="lossy_compression" value="false"/> | |
4304 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4305 <param name="process_lowmemory" value="false"/> | |
4306 <param name="no_peak_picking" value="false"/> | |
4307 <param name="force" value="false"/> | |
4308 <param name="test" value="true"/> | |
4309 </conditional> | |
4310 <param name="in" value="FileConverter_8_input.mzML"/> | |
4311 <output name="out" file="FileConverter_8_output.mzData" compare="sim_size" delta="5700" ftype="mzdata"/> | |
4312 <param name="out_type" value="mzData"/> | |
4313 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4314 <output name="ctd_out" ftype="xml"> | |
4315 <assert_contents> | |
4316 <is_valid_xml/> | |
4317 </assert_contents> | |
4318 </output> | |
4319 </test> | |
4320 <test expect_num_outputs="2"> | |
4321 <conditional name="adv_opts_cond"> | |
4322 <param name="adv_opts_selector" value="advanced"/> | |
4323 <param name="UID_postprocessing" value="ensure"/> | |
4324 <param name="TIC_DTA2D" value="false"/> | |
4325 <param name="MGF_compact" value="false"/> | |
4326 <param name="force_MaxQuant_compatibility" value="false"/> | |
4327 <param name="convert_to_chromatograms" value="false"/> | |
4328 <param name="force_TPP_compatibility" value="false"/> | |
4329 <param name="change_im_format" value="none"/> | |
4330 <param name="write_scan_index" value="true"/> | |
4331 <param name="lossy_compression" value="false"/> | |
4332 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4333 <param name="process_lowmemory" value="false"/> | |
4334 <param name="no_peak_picking" value="false"/> | |
4335 <param name="force" value="false"/> | |
4336 <param name="test" value="true"/> | |
4337 </conditional> | |
4338 <param name="in" value="FileConverter_9_input.consensusXML"/> | |
4339 <output name="out" file="FileConverter_9_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4340 <param name="out_type" value="featureXML"/> | |
4341 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4342 <output name="ctd_out" ftype="xml"> | |
4343 <assert_contents> | |
4344 <is_valid_xml/> | |
4345 </assert_contents> | |
4346 </output> | |
4347 </test> | |
4348 <test expect_num_outputs="2"> | |
4349 <conditional name="adv_opts_cond"> | |
4350 <param name="adv_opts_selector" value="advanced"/> | |
4351 <param name="UID_postprocessing" value="ensure"/> | |
4352 <param name="TIC_DTA2D" value="false"/> | |
4353 <param name="MGF_compact" value="false"/> | |
4354 <param name="force_MaxQuant_compatibility" value="false"/> | |
4355 <param name="convert_to_chromatograms" value="false"/> | |
4356 <param name="force_TPP_compatibility" value="false"/> | |
4357 <param name="change_im_format" value="none"/> | |
4358 <param name="write_scan_index" value="true"/> | |
4359 <param name="lossy_compression" value="false"/> | |
4360 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4361 <param name="process_lowmemory" value="false"/> | |
4362 <param name="no_peak_picking" value="false"/> | |
4363 <param name="force" value="false"/> | |
4364 <param name="test" value="true"/> | |
4365 </conditional> | |
4366 <param name="in" value="FileConverter_10_input.edta" ftype="edta"/> | |
4367 <output name="out" file="FileConverter_10_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4368 <param name="out_type" value="featureXML"/> | |
4369 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4370 <output name="ctd_out" ftype="xml"> | |
4371 <assert_contents> | |
4372 <is_valid_xml/> | |
4373 </assert_contents> | |
4374 </output> | |
4375 </test> | |
4376 <test expect_num_outputs="2"> | |
4377 <conditional name="adv_opts_cond"> | |
4378 <param name="adv_opts_selector" value="advanced"/> | |
4379 <param name="UID_postprocessing" value="ensure"/> | |
4380 <param name="TIC_DTA2D" value="false"/> | |
4381 <param name="MGF_compact" value="false"/> | |
4382 <param name="force_MaxQuant_compatibility" value="false"/> | |
4383 <param name="convert_to_chromatograms" value="false"/> | |
4384 <param name="force_TPP_compatibility" value="false"/> | |
4385 <param name="change_im_format" value="none"/> | |
4386 <param name="write_scan_index" value="true"/> | |
4387 <param name="lossy_compression" value="false"/> | |
4388 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4389 <param name="process_lowmemory" value="false"/> | |
4390 <param name="no_peak_picking" value="false"/> | |
4391 <param name="force" value="false"/> | |
4392 <param name="test" value="true"/> | |
4393 </conditional> | |
4394 <param name="in" value="FileConverter_11_input.peplist"/> | |
4395 <output name="out" file="FileConverter_11_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4396 <param name="out_type" value="featureXML"/> | |
4397 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4398 <output name="ctd_out" ftype="xml"> | |
4399 <assert_contents> | |
4400 <is_valid_xml/> | |
4401 </assert_contents> | |
4402 </output> | |
4403 </test> | |
4404 <test expect_num_outputs="2"> | |
4405 <conditional name="adv_opts_cond"> | |
4406 <param name="adv_opts_selector" value="advanced"/> | |
4407 <param name="UID_postprocessing" value="ensure"/> | |
4408 <param name="TIC_DTA2D" value="false"/> | |
4409 <param name="MGF_compact" value="false"/> | |
4410 <param name="force_MaxQuant_compatibility" value="false"/> | |
4411 <param name="convert_to_chromatograms" value="false"/> | |
4412 <param name="force_TPP_compatibility" value="false"/> | |
4413 <param name="change_im_format" value="none"/> | |
4414 <param name="write_scan_index" value="true"/> | |
4415 <param name="lossy_compression" value="false"/> | |
4416 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4417 <param name="process_lowmemory" value="false"/> | |
4418 <param name="no_peak_picking" value="false"/> | |
4419 <param name="force" value="false"/> | |
4420 <param name="test" value="true"/> | |
4421 </conditional> | |
4422 <param name="in" value="FileConverter_12_input.peptides.tsv" ftype="tabular"/> | |
4423 <output name="out" file="FileConverter_12_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4424 <param name="out_type" value="featureXML"/> | |
4425 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4426 <output name="ctd_out" ftype="xml"> | |
4427 <assert_contents> | |
4428 <is_valid_xml/> | |
4429 </assert_contents> | |
4430 </output> | |
4431 </test> | |
4432 <test expect_num_outputs="2"> | |
4433 <conditional name="adv_opts_cond"> | |
4434 <param name="adv_opts_selector" value="advanced"/> | |
4435 <param name="UID_postprocessing" value="ensure"/> | |
4436 <param name="TIC_DTA2D" value="false"/> | |
4437 <param name="MGF_compact" value="false"/> | |
4438 <param name="force_MaxQuant_compatibility" value="false"/> | |
4439 <param name="convert_to_chromatograms" value="false"/> | |
4440 <param name="force_TPP_compatibility" value="false"/> | |
4441 <param name="change_im_format" value="none"/> | |
4442 <param name="write_scan_index" value="true"/> | |
4443 <param name="lossy_compression" value="false"/> | |
4444 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4445 <param name="process_lowmemory" value="false"/> | |
4446 <param name="no_peak_picking" value="false"/> | |
4447 <param name="force" value="false"/> | |
4448 <param name="test" value="true"/> | |
4449 </conditional> | |
4450 <param name="in" value="FileConverter_13_input.peptides.kroenik"/> | |
4451 <output name="out" file="FileConverter_13_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4452 <param name="out_type" value="featureXML"/> | |
4453 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4454 <output name="ctd_out" ftype="xml"> | |
4455 <assert_contents> | |
4456 <is_valid_xml/> | |
4457 </assert_contents> | |
4458 </output> | |
4459 </test> | |
4460 <test expect_num_outputs="2"> | |
4461 <conditional name="adv_opts_cond"> | |
4462 <param name="adv_opts_selector" value="advanced"/> | |
4463 <param name="UID_postprocessing" value="ensure"/> | |
4464 <param name="TIC_DTA2D" value="false"/> | |
4465 <param name="MGF_compact" value="false"/> | |
4466 <param name="force_MaxQuant_compatibility" value="false"/> | |
4467 <param name="convert_to_chromatograms" value="false"/> | |
4468 <param name="force_TPP_compatibility" value="false"/> | |
4469 <param name="change_im_format" value="none"/> | |
4470 <param name="write_scan_index" value="true"/> | |
4471 <param name="lossy_compression" value="false"/> | |
4472 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4473 <param name="process_lowmemory" value="false"/> | |
4474 <param name="no_peak_picking" value="false"/> | |
4475 <param name="force" value="false"/> | |
4476 <param name="test" value="true"/> | |
4477 </conditional> | |
4478 <param name="in" value="FileConverter_9_output.featureXML"/> | |
4479 <output name="out" file="FileConverter_14_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4480 <param name="out_type" value="consensusXML"/> | |
4481 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4482 <output name="ctd_out" ftype="xml"> | |
4483 <assert_contents> | |
4484 <is_valid_xml/> | |
4485 </assert_contents> | |
4486 </output> | |
4487 </test> | |
4488 <test expect_num_outputs="2"> | |
4489 <conditional name="adv_opts_cond"> | |
4490 <param name="adv_opts_selector" value="advanced"/> | |
4491 <param name="UID_postprocessing" value="ensure"/> | |
4492 <param name="TIC_DTA2D" value="false"/> | |
4493 <param name="MGF_compact" value="false"/> | |
4494 <param name="force_MaxQuant_compatibility" value="false"/> | |
4495 <param name="convert_to_chromatograms" value="false"/> | |
4496 <param name="force_TPP_compatibility" value="false"/> | |
4497 <param name="change_im_format" value="none"/> | |
4498 <param name="write_scan_index" value="true"/> | |
4499 <param name="lossy_compression" value="false"/> | |
4500 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4501 <param name="process_lowmemory" value="false"/> | |
4502 <param name="no_peak_picking" value="false"/> | |
4503 <param name="force" value="false"/> | |
4504 <param name="test" value="true"/> | |
4505 </conditional> | |
4506 <param name="in" value="FileConverter_10_input.edta" ftype="edta"/> | |
4507 <output name="out" file="FileConverter_15_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4508 <param name="out_type" value="consensusXML"/> | |
4509 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4510 <output name="ctd_out" ftype="xml"> | |
4511 <assert_contents> | |
4512 <is_valid_xml/> | |
4513 </assert_contents> | |
4514 </output> | |
4515 </test> | |
4516 <test expect_num_outputs="2"> | |
4517 <conditional name="adv_opts_cond"> | |
4518 <param name="adv_opts_selector" value="advanced"/> | |
4519 <param name="UID_postprocessing" value="ensure"/> | |
4520 <param name="TIC_DTA2D" value="false"/> | |
4521 <param name="MGF_compact" value="false"/> | |
4522 <param name="force_MaxQuant_compatibility" value="false"/> | |
4523 <param name="convert_to_chromatograms" value="false"/> | |
4524 <param name="force_TPP_compatibility" value="false"/> | |
4525 <param name="change_im_format" value="none"/> | |
4526 <param name="write_scan_index" value="true"/> | |
4527 <param name="lossy_compression" value="false"/> | |
4528 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4529 <param name="process_lowmemory" value="false"/> | |
4530 <param name="no_peak_picking" value="false"/> | |
4531 <param name="force" value="false"/> | |
4532 <param name="test" value="true"/> | |
4533 </conditional> | |
4534 <param name="in" value="FileConverter_16_input.edta" ftype="edta"/> | |
4535 <output name="out" file="FileConverter_16_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
4536 <param name="out_type" value="consensusXML"/> | |
4537 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4538 <output name="ctd_out" ftype="xml"> | |
4539 <assert_contents> | |
4540 <is_valid_xml/> | |
4541 </assert_contents> | |
4542 </output> | |
4543 </test> | |
4544 <test expect_num_outputs="2"> | |
4545 <conditional name="adv_opts_cond"> | |
4546 <param name="adv_opts_selector" value="advanced"/> | |
4547 <param name="UID_postprocessing" value="ensure"/> | |
4548 <param name="TIC_DTA2D" value="false"/> | |
4549 <param name="MGF_compact" value="false"/> | |
4550 <param name="force_MaxQuant_compatibility" value="false"/> | |
4551 <param name="convert_to_chromatograms" value="false"/> | |
4552 <param name="force_TPP_compatibility" value="false"/> | |
4553 <param name="change_im_format" value="none"/> | |
4554 <param name="write_scan_index" value="true"/> | |
4555 <param name="lossy_compression" value="false"/> | |
4556 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4557 <param name="process_lowmemory" value="false"/> | |
4558 <param name="no_peak_picking" value="false"/> | |
4559 <param name="force" value="false"/> | |
4560 <param name="test" value="true"/> | |
4561 </conditional> | |
4562 <param name="in" value="FileConverter_17_input.consensusXML"/> | |
4563 <output name="out" file="FileConverter_17.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
4564 <param name="out_type" value="csv"/> | |
4565 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4566 <output name="ctd_out" ftype="xml"> | |
4567 <assert_contents> | |
4568 <is_valid_xml/> | |
4569 </assert_contents> | |
4570 </output> | |
4571 </test> | |
4572 <test expect_num_outputs="2"> | |
4573 <conditional name="adv_opts_cond"> | |
4574 <param name="adv_opts_selector" value="advanced"/> | |
4575 <param name="UID_postprocessing" value="ensure"/> | |
4576 <param name="TIC_DTA2D" value="false"/> | |
4577 <param name="MGF_compact" value="false"/> | |
4578 <param name="force_MaxQuant_compatibility" value="false"/> | |
4579 <param name="convert_to_chromatograms" value="false"/> | |
4580 <param name="force_TPP_compatibility" value="false"/> | |
4581 <param name="change_im_format" value="none"/> | |
4582 <param name="write_scan_index" value="true"/> | |
4583 <param name="lossy_compression" value="false"/> | |
4584 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4585 <param name="process_lowmemory" value="false"/> | |
4586 <param name="no_peak_picking" value="false"/> | |
4587 <param name="force" value="false"/> | |
4588 <param name="test" value="true"/> | |
4589 </conditional> | |
4590 <param name="in" value="FileConverter_17_input.consensusXML"/> | |
4591 <output name="out" file="FileConverter_17_output.ibspectra.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
4592 <param name="out_type" value="csv"/> | |
4593 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4594 <output name="ctd_out" ftype="xml"> | |
4595 <assert_contents> | |
4596 <is_valid_xml/> | |
4597 </assert_contents> | |
4598 </output> | |
4599 </test> | |
4600 <test expect_num_outputs="2"> | |
4601 <conditional name="adv_opts_cond"> | |
4602 <param name="adv_opts_selector" value="advanced"/> | |
4603 <param name="UID_postprocessing" value="ensure"/> | |
4604 <param name="TIC_DTA2D" value="false"/> | |
4605 <param name="MGF_compact" value="false"/> | |
4606 <param name="force_MaxQuant_compatibility" value="false"/> | |
4607 <param name="convert_to_chromatograms" value="false"/> | |
4608 <param name="force_TPP_compatibility" value="false"/> | |
4609 <param name="change_im_format" value="none"/> | |
4610 <param name="write_scan_index" value="true"/> | |
4611 <param name="lossy_compression" value="false"/> | |
4612 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4613 <param name="process_lowmemory" value="true"/> | |
4614 <param name="no_peak_picking" value="false"/> | |
4615 <param name="force" value="false"/> | |
4616 <param name="test" value="true"/> | |
4617 </conditional> | |
4618 <param name="in" value="FileFilter_1_input.mzML"/> | |
4619 <output name="out" file="FileConverter_19_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4620 <param name="out_type" value="mzML"/> | |
4621 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4622 <output name="ctd_out" ftype="xml"> | |
4623 <assert_contents> | |
4624 <is_valid_xml/> | |
4625 </assert_contents> | |
4626 </output> | |
4627 </test> | |
4628 <test expect_num_outputs="2"> | |
4629 <conditional name="adv_opts_cond"> | |
4630 <param name="adv_opts_selector" value="advanced"/> | |
4631 <param name="UID_postprocessing" value="ensure"/> | |
4632 <param name="TIC_DTA2D" value="false"/> | |
4633 <param name="MGF_compact" value="false"/> | |
4634 <param name="force_MaxQuant_compatibility" value="false"/> | |
4635 <param name="convert_to_chromatograms" value="false"/> | |
4636 <param name="force_TPP_compatibility" value="false"/> | |
4637 <param name="change_im_format" value="none"/> | |
4638 <param name="write_scan_index" value="true"/> | |
4639 <param name="lossy_compression" value="false"/> | |
4640 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4641 <param name="process_lowmemory" value="false"/> | |
4642 <param name="no_peak_picking" value="false"/> | |
4643 <param name="force" value="false"/> | |
4644 <param name="test" value="true"/> | |
4645 </conditional> | |
4646 <param name="in" value="FileConverter_20_input.featureXML"/> | |
4647 <output name="out" file="FileConverter_20_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
4648 <param name="out_type" value="featureXML"/> | |
4649 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4650 <output name="ctd_out" ftype="xml"> | |
4651 <assert_contents> | |
4652 <is_valid_xml/> | |
4653 </assert_contents> | |
4654 </output> | |
4655 </test> | |
4656 <test expect_num_outputs="2"> | |
4657 <conditional name="adv_opts_cond"> | |
4658 <param name="adv_opts_selector" value="advanced"/> | |
4659 <param name="UID_postprocessing" value="ensure"/> | |
4660 <param name="TIC_DTA2D" value="false"/> | |
4661 <param name="MGF_compact" value="false"/> | |
4662 <param name="force_MaxQuant_compatibility" value="false"/> | |
4663 <param name="convert_to_chromatograms" value="false"/> | |
4664 <param name="force_TPP_compatibility" value="false"/> | |
4665 <param name="change_im_format" value="none"/> | |
4666 <param name="write_scan_index" value="true"/> | |
4667 <param name="lossy_compression" value="false"/> | |
4668 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4669 <param name="process_lowmemory" value="true"/> | |
4670 <param name="no_peak_picking" value="false"/> | |
4671 <param name="force" value="false"/> | |
4672 <param name="test" value="true"/> | |
4673 </conditional> | |
4674 <param name="in" value="FileConverter_4_input.mzXML"/> | |
4675 <output name="out" file="FileConverter_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4676 <param name="out_type" value="mzML"/> | |
4677 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4678 <output name="ctd_out" ftype="xml"> | |
4679 <assert_contents> | |
4680 <is_valid_xml/> | |
4681 </assert_contents> | |
4682 </output> | |
4683 </test> | |
4684 <test expect_num_outputs="2"> | |
4685 <conditional name="adv_opts_cond"> | |
4686 <param name="adv_opts_selector" value="advanced"/> | |
4687 <param name="UID_postprocessing" value="ensure"/> | |
4688 <param name="TIC_DTA2D" value="false"/> | |
4689 <param name="MGF_compact" value="false"/> | |
4690 <param name="force_MaxQuant_compatibility" value="false"/> | |
4691 <param name="convert_to_chromatograms" value="false"/> | |
4692 <param name="force_TPP_compatibility" value="false"/> | |
4693 <param name="change_im_format" value="none"/> | |
4694 <param name="write_scan_index" value="true"/> | |
4695 <param name="lossy_compression" value="false"/> | |
4696 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4697 <param name="process_lowmemory" value="false"/> | |
4698 <param name="no_peak_picking" value="false"/> | |
4699 <param name="force" value="false"/> | |
4700 <param name="test" value="true"/> | |
4701 </conditional> | |
4702 <param name="in" value="FileConverter_23_input.mzML"/> | |
4703 <output name="out" file="FileConverter_23_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4704 <param name="out_type" value="mzML"/> | |
4705 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4706 <output name="ctd_out" ftype="xml"> | |
4707 <assert_contents> | |
4708 <is_valid_xml/> | |
4709 </assert_contents> | |
4710 </output> | |
4711 </test> | |
4712 <test expect_num_outputs="2"> | |
4713 <conditional name="adv_opts_cond"> | |
4714 <param name="adv_opts_selector" value="advanced"/> | |
4715 <param name="UID_postprocessing" value="ensure"/> | |
4716 <param name="TIC_DTA2D" value="false"/> | |
4717 <param name="MGF_compact" value="false"/> | |
4718 <param name="force_MaxQuant_compatibility" value="false"/> | |
4719 <param name="convert_to_chromatograms" value="false"/> | |
4720 <param name="force_TPP_compatibility" value="false"/> | |
4721 <param name="change_im_format" value="none"/> | |
4722 <param name="write_scan_index" value="true"/> | |
4723 <param name="lossy_compression" value="true"/> | |
4724 <param name="lossy_mass_accuracy" value="0.0001"/> | |
4725 <param name="process_lowmemory" value="true"/> | |
4726 <param name="no_peak_picking" value="false"/> | |
4727 <param name="force" value="false"/> | |
4728 <param name="test" value="true"/> | |
4729 </conditional> | |
4730 <param name="in" value="FileFilter_1_input.mzML"/> | |
4731 <output name="out" file="FileConverter_24_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4732 <param name="out_type" value="mzML"/> | |
4733 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4734 <output name="ctd_out" ftype="xml"> | |
4735 <assert_contents> | |
4736 <is_valid_xml/> | |
4737 </assert_contents> | |
4738 </output> | |
4739 </test> | |
4740 <test expect_num_outputs="2"> | |
4741 <conditional name="adv_opts_cond"> | |
4742 <param name="adv_opts_selector" value="advanced"/> | |
4743 <param name="UID_postprocessing" value="ensure"/> | |
4744 <param name="TIC_DTA2D" value="false"/> | |
4745 <param name="MGF_compact" value="false"/> | |
4746 <param name="force_MaxQuant_compatibility" value="false"/> | |
4747 <param name="convert_to_chromatograms" value="false"/> | |
4748 <param name="force_TPP_compatibility" value="false"/> | |
4749 <param name="change_im_format" value="none"/> | |
4750 <param name="write_scan_index" value="true"/> | |
4751 <param name="lossy_compression" value="true"/> | |
4752 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4753 <param name="process_lowmemory" value="true"/> | |
4754 <param name="no_peak_picking" value="false"/> | |
4755 <param name="force" value="false"/> | |
4756 <param name="test" value="true"/> | |
4757 </conditional> | |
4758 <param name="in" value="FileFilter_1_input.mzML"/> | |
4759 <output name="out" file="FileConverter_25_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4760 <param name="out_type" value="mzML"/> | |
4761 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4762 <output name="ctd_out" ftype="xml"> | |
4763 <assert_contents> | |
4764 <is_valid_xml/> | |
4765 </assert_contents> | |
4766 </output> | |
4767 </test> | |
4768 <test expect_num_outputs="2"> | |
4769 <conditional name="adv_opts_cond"> | |
4770 <param name="adv_opts_selector" value="advanced"/> | |
4771 <param name="UID_postprocessing" value="ensure"/> | |
4772 <param name="TIC_DTA2D" value="false"/> | |
4773 <param name="MGF_compact" value="false"/> | |
4774 <param name="force_MaxQuant_compatibility" value="true"/> | |
4775 <param name="convert_to_chromatograms" value="false"/> | |
4776 <param name="force_TPP_compatibility" value="false"/> | |
4777 <param name="change_im_format" value="none"/> | |
4778 <param name="write_scan_index" value="true"/> | |
4779 <param name="lossy_compression" value="false"/> | |
4780 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4781 <param name="process_lowmemory" value="false"/> | |
4782 <param name="no_peak_picking" value="false"/> | |
4783 <param name="force" value="false"/> | |
4784 <param name="test" value="true"/> | |
4785 </conditional> | |
4786 <param name="in" value="FileFilter_1_input.mzML"/> | |
4787 <output name="out" file="FileConverter_26_output.mzXML" compare="sim_size" delta="5700" ftype="mzxml"/> | |
4788 <param name="out_type" value="mzXML"/> | |
4789 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4790 <output name="ctd_out" ftype="xml"> | |
4791 <assert_contents> | |
4792 <is_valid_xml/> | |
4793 </assert_contents> | |
4794 </output> | |
4795 </test> | |
4796 <test expect_num_outputs="2"> | |
4797 <conditional name="adv_opts_cond"> | |
4798 <param name="adv_opts_selector" value="advanced"/> | |
4799 <param name="UID_postprocessing" value="ensure"/> | |
4800 <param name="TIC_DTA2D" value="false"/> | |
4801 <param name="MGF_compact" value="false"/> | |
4802 <param name="force_MaxQuant_compatibility" value="true"/> | |
4803 <param name="convert_to_chromatograms" value="false"/> | |
4804 <param name="force_TPP_compatibility" value="false"/> | |
4805 <param name="change_im_format" value="none"/> | |
4806 <param name="write_scan_index" value="true"/> | |
4807 <param name="lossy_compression" value="false"/> | |
4808 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4809 <param name="process_lowmemory" value="false"/> | |
4810 <param name="no_peak_picking" value="false"/> | |
4811 <param name="force" value="false"/> | |
4812 <param name="test" value="true"/> | |
4813 </conditional> | |
4814 <param name="in" value="FileConverter_26_output.mzXML"/> | |
4815 <output name="out" file="FileConverter_26-2_output.mzXML" compare="sim_size" delta="5700" ftype="mzxml"/> | |
4816 <param name="out_type" value="mzXML"/> | |
4817 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4818 <output name="ctd_out" ftype="xml"> | |
4819 <assert_contents> | |
4820 <is_valid_xml/> | |
4821 </assert_contents> | |
4822 </output> | |
4823 </test> | |
4824 <test expect_num_outputs="2"> | |
4825 <conditional name="adv_opts_cond"> | |
4826 <param name="adv_opts_selector" value="advanced"/> | |
4827 <param name="UID_postprocessing" value="ensure"/> | |
4828 <param name="TIC_DTA2D" value="false"/> | |
4829 <param name="MGF_compact" value="false"/> | |
4830 <param name="force_MaxQuant_compatibility" value="false"/> | |
4831 <param name="convert_to_chromatograms" value="true"/> | |
4832 <param name="force_TPP_compatibility" value="false"/> | |
4833 <param name="change_im_format" value="none"/> | |
4834 <param name="write_scan_index" value="true"/> | |
4835 <param name="lossy_compression" value="false"/> | |
4836 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4837 <param name="process_lowmemory" value="false"/> | |
4838 <param name="no_peak_picking" value="false"/> | |
4839 <param name="force" value="false"/> | |
4840 <param name="test" value="true"/> | |
4841 </conditional> | |
4842 <param name="in" value="FileConverter_27_input.mzML"/> | |
4843 <output name="out" file="FileConverter_27_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4844 <param name="out_type" value="mzML"/> | |
4845 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4846 <output name="ctd_out" ftype="xml"> | |
4847 <assert_contents> | |
4848 <is_valid_xml/> | |
4849 </assert_contents> | |
4850 </output> | |
4851 </test> | |
4852 <test expect_num_outputs="2"> | |
4853 <conditional name="adv_opts_cond"> | |
4854 <param name="adv_opts_selector" value="advanced"/> | |
4855 <param name="UID_postprocessing" value="ensure"/> | |
4856 <param name="TIC_DTA2D" value="false"/> | |
4857 <param name="MGF_compact" value="false"/> | |
4858 <param name="force_MaxQuant_compatibility" value="false"/> | |
4859 <param name="convert_to_chromatograms" value="true"/> | |
4860 <param name="force_TPP_compatibility" value="false"/> | |
4861 <param name="change_im_format" value="none"/> | |
4862 <param name="write_scan_index" value="true"/> | |
4863 <param name="lossy_compression" value="false"/> | |
4864 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4865 <param name="process_lowmemory" value="false"/> | |
4866 <param name="no_peak_picking" value="false"/> | |
4867 <param name="force" value="false"/> | |
4868 <param name="test" value="true"/> | |
4869 </conditional> | |
4870 <param name="in" value="FileConverter_28_input.mzML"/> | |
4871 <output name="out" file="FileConverter_28_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4872 <param name="out_type" value="mzML"/> | |
4873 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4874 <output name="ctd_out" ftype="xml"> | |
4875 <assert_contents> | |
4876 <is_valid_xml/> | |
4877 </assert_contents> | |
4878 </output> | |
4879 </test> | |
4880 <test expect_num_outputs="2"> | |
4881 <conditional name="adv_opts_cond"> | |
4882 <param name="adv_opts_selector" value="advanced"/> | |
4883 <param name="UID_postprocessing" value="ensure"/> | |
4884 <param name="TIC_DTA2D" value="false"/> | |
4885 <param name="MGF_compact" value="false"/> | |
4886 <param name="force_MaxQuant_compatibility" value="false"/> | |
4887 <param name="convert_to_chromatograms" value="false"/> | |
4888 <param name="force_TPP_compatibility" value="false"/> | |
4889 <param name="change_im_format" value="none"/> | |
4890 <param name="write_scan_index" value="true"/> | |
4891 <param name="lossy_compression" value="true"/> | |
4892 <param name="lossy_mass_accuracy" value="1e-05"/> | |
4893 <param name="process_lowmemory" value="true"/> | |
4894 <param name="no_peak_picking" value="false"/> | |
4895 <param name="force" value="false"/> | |
4896 <param name="test" value="true"/> | |
4897 </conditional> | |
4898 <param name="in" value="OpenSwathWorkflow_17_input.mzML"/> | |
4899 <output name="out" file="FileConverter_29_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4900 <param name="out_type" value="mzML"/> | |
4901 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4902 <output name="ctd_out" ftype="xml"> | |
4903 <assert_contents> | |
4904 <is_valid_xml/> | |
4905 </assert_contents> | |
4906 </output> | |
4907 </test> | |
4908 <test expect_num_outputs="2"> | |
4909 <conditional name="adv_opts_cond"> | |
4910 <param name="adv_opts_selector" value="advanced"/> | |
4911 <param name="UID_postprocessing" value="ensure"/> | |
4912 <param name="TIC_DTA2D" value="false"/> | |
4913 <param name="MGF_compact" value="false"/> | |
4914 <param name="force_MaxQuant_compatibility" value="false"/> | |
4915 <param name="convert_to_chromatograms" value="false"/> | |
4916 <param name="force_TPP_compatibility" value="false"/> | |
4917 <param name="change_im_format" value="none"/> | |
4918 <param name="write_scan_index" value="true"/> | |
4919 <param name="lossy_compression" value="false"/> | |
4920 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4921 <param name="process_lowmemory" value="false"/> | |
4922 <param name="no_peak_picking" value="false"/> | |
4923 <param name="force" value="false"/> | |
4924 <param name="test" value="true"/> | |
4925 </conditional> | |
4926 <param name="in" value="FileConverter_29_output.mzML"/> | |
4927 <output name="out" file="FileConverter_29.back.tmp" compare="sim_size" delta="5700"/> | |
4928 <param name="out_type" value="mzML"/> | |
4929 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4930 <output name="ctd_out" ftype="xml"> | |
4931 <assert_contents> | |
4932 <is_valid_xml/> | |
4933 </assert_contents> | |
4934 </output> | |
4935 </test> | |
4936 <test expect_num_outputs="2"> | |
4937 <conditional name="adv_opts_cond"> | |
4938 <param name="adv_opts_selector" value="advanced"/> | |
4939 <param name="UID_postprocessing" value="ensure"/> | |
4940 <param name="TIC_DTA2D" value="false"/> | |
4941 <param name="MGF_compact" value="false"/> | |
4942 <param name="force_MaxQuant_compatibility" value="false"/> | |
4943 <param name="convert_to_chromatograms" value="false"/> | |
4944 <param name="force_TPP_compatibility" value="false"/> | |
4945 <param name="change_im_format" value="multiple"/> | |
4946 <param name="write_scan_index" value="true"/> | |
4947 <param name="lossy_compression" value="false"/> | |
4948 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4949 <param name="process_lowmemory" value="false"/> | |
4950 <param name="no_peak_picking" value="false"/> | |
4951 <param name="force" value="false"/> | |
4952 <param name="test" value="true"/> | |
4953 </conditional> | |
4954 <param name="in" value="FileConverter_30_input.mzML"/> | |
4955 <output name="out" file="FileConverter_30_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4956 <param name="out_type" value="mzML"/> | |
4957 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4958 <output name="ctd_out" ftype="xml"> | |
4959 <assert_contents> | |
4960 <is_valid_xml/> | |
4961 </assert_contents> | |
4962 </output> | |
4963 </test> | |
4964 <test expect_num_outputs="2"> | |
4965 <conditional name="adv_opts_cond"> | |
4966 <param name="adv_opts_selector" value="advanced"/> | |
4967 <param name="UID_postprocessing" value="ensure"/> | |
4968 <param name="TIC_DTA2D" value="false"/> | |
4969 <param name="MGF_compact" value="false"/> | |
4970 <param name="force_MaxQuant_compatibility" value="false"/> | |
4971 <param name="convert_to_chromatograms" value="false"/> | |
4972 <param name="force_TPP_compatibility" value="false"/> | |
4973 <param name="change_im_format" value="single"/> | |
4974 <param name="write_scan_index" value="true"/> | |
4975 <param name="lossy_compression" value="false"/> | |
4976 <param name="lossy_mass_accuracy" value="-1.0"/> | |
4977 <param name="process_lowmemory" value="false"/> | |
4978 <param name="no_peak_picking" value="false"/> | |
4979 <param name="force" value="false"/> | |
4980 <param name="test" value="true"/> | |
4981 </conditional> | |
4982 <param name="in" value="FileConverter_30_output.mzML"/> | |
4983 <output name="out" file="FileConverter_31_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
4984 <param name="out_type" value="mzML"/> | |
4985 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
4986 <output name="ctd_out" ftype="xml"> | |
4987 <assert_contents> | |
4988 <is_valid_xml/> | |
4989 </assert_contents> | |
4990 </output> | |
4991 </test> | |
4992 <test expect_num_outputs="2"> | |
4993 <conditional name="adv_opts_cond"> | |
4994 <param name="adv_opts_selector" value="advanced"/> | |
4995 <param name="UID_postprocessing" value="ensure"/> | |
4996 <param name="TIC_DTA2D" value="false"/> | |
4997 <param name="MGF_compact" value="false"/> | |
4998 <param name="force_MaxQuant_compatibility" value="false"/> | |
4999 <param name="convert_to_chromatograms" value="false"/> | |
5000 <param name="force_TPP_compatibility" value="false"/> | |
5001 <param name="change_im_format" value="none"/> | |
5002 <param name="write_scan_index" value="true"/> | |
5003 <param name="lossy_compression" value="false"/> | |
5004 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5005 <param name="process_lowmemory" value="false"/> | |
5006 <param name="no_peak_picking" value="false"/> | |
5007 <param name="force" value="false"/> | |
5008 <param name="test" value="true"/> | |
5009 </conditional> | |
5010 <param name="in" value="ginkgotoxin-ms-switching.raw"/> | |
5011 <output name="out" file="ginkgotoxin-ms-switching_out_tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5012 <param name="out_type" value="mzml"/> | |
5013 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5014 <output name="ctd_out" ftype="xml"> | |
5015 <assert_contents> | |
5016 <is_valid_xml/> | |
5017 </assert_contents> | |
5018 </output> | |
5019 </test> | |
5020 </xml> | |
5021 <xml name="autotest_FileFilter"> | |
5022 <test expect_num_outputs="2"> | |
5023 <conditional name="adv_opts_cond"> | |
5024 <param name="adv_opts_selector" value="advanced"/> | |
5025 <param name="force" value="false"/> | |
5026 <param name="test" value="true"/> | |
5027 </conditional> | |
5028 <param name="in" value="FileFilter_1_input.mzML"/> | |
5029 <output name="out" file="FileFilter_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5030 <param name="out_type" value="mzML"/> | |
5031 <param name="rt" value=":30"/> | |
5032 <param name="mz" value=":1000"/> | |
5033 <param name="int" value=":20000"/> | |
5034 <param name="sort" value="false"/> | |
5035 <section name="peak_options"> | |
5036 <param name="sn" value="0.0"/> | |
5037 <param name="rm_pc_charge" value=""/> | |
5038 <param name="pc_mz_range" value=":"/> | |
5039 <param name="pc_mz_list" value=""/> | |
5040 <param name="level" value="1 2 3"/> | |
5041 <param name="sort_peaks" value="false"/> | |
5042 <param name="no_chromatograms" value="false"/> | |
5043 <param name="remove_chromatograms" value="false"/> | |
5044 <param name="remove_empty" value="false"/> | |
5045 <param name="mz_precision" value="64"/> | |
5046 <param name="int_precision" value="32"/> | |
5047 <param name="indexed_file" value="true"/> | |
5048 <param name="zlib_compression" value="false"/> | |
5049 <section name="numpress"> | |
5050 <param name="masstime" value="none"/> | |
5051 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5052 <param name="intensity" value="none"/> | |
5053 <param name="float_da" value="none"/> | |
5054 </section> | |
5055 </section> | |
5056 <section name="spectra"> | |
5057 <param name="remove_zoom" value="false"/> | |
5058 <param name="remove_mode" value=""/> | |
5059 <param name="remove_activation" value=""/> | |
5060 <param name="remove_collision_energy" value=":"/> | |
5061 <param name="remove_isolation_window_width" value=":"/> | |
5062 <param name="select_zoom" value="false"/> | |
5063 <param name="select_mode" value=""/> | |
5064 <param name="select_activation" value=""/> | |
5065 <param name="select_collision_energy" value=":"/> | |
5066 <param name="select_isolation_window_width" value=":"/> | |
5067 <param name="select_polarity" value=""/> | |
5068 <section name="blackorwhitelist"> | |
5069 <param name="similarity_threshold" value="-1.0"/> | |
5070 <param name="rt" value="0.01"/> | |
5071 <param name="mz" value="0.01"/> | |
5072 <param name="use_ppm_tolerance" value="false"/> | |
5073 <param name="blacklist" value="true"/> | |
5074 </section> | |
5075 </section> | |
5076 <section name="feature"> | |
5077 <param name="q" value=":"/> | |
5078 </section> | |
5079 <section name="consensus"> | |
5080 <param name="map" value=""/> | |
5081 <param name="map_and" value="false"/> | |
5082 <section name="blackorwhitelist"> | |
5083 <param name="blacklist" value="true"/> | |
5084 <param name="maps" value=""/> | |
5085 <param name="rt" value="60.0"/> | |
5086 <param name="mz" value="0.01"/> | |
5087 <param name="use_ppm_tolerance" value="false"/> | |
5088 </section> | |
5089 </section> | |
5090 <section name="f_and_c"> | |
5091 <param name="charge" value=":"/> | |
5092 <param name="size" value=":"/> | |
5093 <param name="remove_meta" value=""/> | |
5094 </section> | |
5095 <section name="id"> | |
5096 <param name="remove_clashes" value="false"/> | |
5097 <param name="keep_best_score_id" value="false"/> | |
5098 <param name="sequences_whitelist" value=""/> | |
5099 <param name="sequence_comparison_method" value="substring"/> | |
5100 <param name="accessions_whitelist" value=""/> | |
5101 <param name="remove_annotated_features" value="false"/> | |
5102 <param name="remove_unannotated_features" value="false"/> | |
5103 <param name="remove_unassigned_ids" value="false"/> | |
5104 <param name="rt" value="0.1"/> | |
5105 <param name="mz" value="0.001"/> | |
5106 <param name="blacklist_imperfect" value="false"/> | |
5107 </section> | |
5108 <section name="algorithm"> | |
5109 <section name="SignalToNoise"> | |
5110 <param name="max_intensity" value="-1"/> | |
5111 <param name="auto_max_stdev_factor" value="3.0"/> | |
5112 <param name="auto_max_percentile" value="95"/> | |
5113 <param name="auto_mode" value="0"/> | |
5114 <param name="win_len" value="200.0"/> | |
5115 <param name="bin_count" value="30"/> | |
5116 <param name="min_required_elements" value="10"/> | |
5117 <param name="noise_for_empty_window" value="1e+20"/> | |
5118 <param name="write_log_messages" value="true"/> | |
5119 </section> | |
5120 </section> | |
5121 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5122 <output name="ctd_out" ftype="xml"> | |
5123 <assert_contents> | |
5124 <is_valid_xml/> | |
5125 </assert_contents> | |
5126 </output> | |
5127 </test> | |
5128 <test expect_num_outputs="2"> | |
5129 <conditional name="adv_opts_cond"> | |
5130 <param name="adv_opts_selector" value="advanced"/> | |
5131 <param name="force" value="false"/> | |
5132 <param name="test" value="true"/> | |
5133 </conditional> | |
5134 <param name="in" value="FileFilter_1_input.mzML"/> | |
5135 <output name="out" file="FileFilter_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5136 <param name="out_type" value="mzML"/> | |
5137 <param name="rt" value="30:"/> | |
5138 <param name="mz" value="1000:"/> | |
5139 <param name="int" value="100:"/> | |
5140 <param name="sort" value="false"/> | |
5141 <section name="peak_options"> | |
5142 <param name="sn" value="0.0"/> | |
5143 <param name="rm_pc_charge" value=""/> | |
5144 <param name="pc_mz_range" value=":"/> | |
5145 <param name="pc_mz_list" value=""/> | |
5146 <param name="level" value="1 2 3"/> | |
5147 <param name="sort_peaks" value="false"/> | |
5148 <param name="no_chromatograms" value="false"/> | |
5149 <param name="remove_chromatograms" value="false"/> | |
5150 <param name="remove_empty" value="false"/> | |
5151 <param name="mz_precision" value="64"/> | |
5152 <param name="int_precision" value="32"/> | |
5153 <param name="indexed_file" value="true"/> | |
5154 <param name="zlib_compression" value="false"/> | |
5155 <section name="numpress"> | |
5156 <param name="masstime" value="none"/> | |
5157 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5158 <param name="intensity" value="none"/> | |
5159 <param name="float_da" value="none"/> | |
5160 </section> | |
5161 </section> | |
5162 <section name="spectra"> | |
5163 <param name="remove_zoom" value="false"/> | |
5164 <param name="remove_mode" value=""/> | |
5165 <param name="remove_activation" value=""/> | |
5166 <param name="remove_collision_energy" value=":"/> | |
5167 <param name="remove_isolation_window_width" value=":"/> | |
5168 <param name="select_zoom" value="false"/> | |
5169 <param name="select_mode" value=""/> | |
5170 <param name="select_activation" value=""/> | |
5171 <param name="select_collision_energy" value=":"/> | |
5172 <param name="select_isolation_window_width" value=":"/> | |
5173 <param name="select_polarity" value=""/> | |
5174 <section name="blackorwhitelist"> | |
5175 <param name="similarity_threshold" value="-1.0"/> | |
5176 <param name="rt" value="0.01"/> | |
5177 <param name="mz" value="0.01"/> | |
5178 <param name="use_ppm_tolerance" value="false"/> | |
5179 <param name="blacklist" value="true"/> | |
5180 </section> | |
5181 </section> | |
5182 <section name="feature"> | |
5183 <param name="q" value=":"/> | |
5184 </section> | |
5185 <section name="consensus"> | |
5186 <param name="map" value=""/> | |
5187 <param name="map_and" value="false"/> | |
5188 <section name="blackorwhitelist"> | |
5189 <param name="blacklist" value="true"/> | |
5190 <param name="maps" value=""/> | |
5191 <param name="rt" value="60.0"/> | |
5192 <param name="mz" value="0.01"/> | |
5193 <param name="use_ppm_tolerance" value="false"/> | |
5194 </section> | |
5195 </section> | |
5196 <section name="f_and_c"> | |
5197 <param name="charge" value=":"/> | |
5198 <param name="size" value=":"/> | |
5199 <param name="remove_meta" value=""/> | |
5200 </section> | |
5201 <section name="id"> | |
5202 <param name="remove_clashes" value="false"/> | |
5203 <param name="keep_best_score_id" value="false"/> | |
5204 <param name="sequences_whitelist" value=""/> | |
5205 <param name="sequence_comparison_method" value="substring"/> | |
5206 <param name="accessions_whitelist" value=""/> | |
5207 <param name="remove_annotated_features" value="false"/> | |
5208 <param name="remove_unannotated_features" value="false"/> | |
5209 <param name="remove_unassigned_ids" value="false"/> | |
5210 <param name="rt" value="0.1"/> | |
5211 <param name="mz" value="0.001"/> | |
5212 <param name="blacklist_imperfect" value="false"/> | |
5213 </section> | |
5214 <section name="algorithm"> | |
5215 <section name="SignalToNoise"> | |
5216 <param name="max_intensity" value="-1"/> | |
5217 <param name="auto_max_stdev_factor" value="3.0"/> | |
5218 <param name="auto_max_percentile" value="95"/> | |
5219 <param name="auto_mode" value="0"/> | |
5220 <param name="win_len" value="200.0"/> | |
5221 <param name="bin_count" value="30"/> | |
5222 <param name="min_required_elements" value="10"/> | |
5223 <param name="noise_for_empty_window" value="1e+20"/> | |
5224 <param name="write_log_messages" value="true"/> | |
5225 </section> | |
5226 </section> | |
5227 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5228 <output name="ctd_out" ftype="xml"> | |
5229 <assert_contents> | |
5230 <is_valid_xml/> | |
5231 </assert_contents> | |
5232 </output> | |
5233 </test> | |
5234 <test expect_num_outputs="2"> | |
5235 <conditional name="adv_opts_cond"> | |
5236 <param name="adv_opts_selector" value="advanced"/> | |
5237 <param name="force" value="false"/> | |
5238 <param name="test" value="true"/> | |
5239 </conditional> | |
5240 <param name="in" value="FileFilter_1_input.mzML"/> | |
5241 <output name="out" file="FileFilter_3_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5242 <param name="out_type" value="mzML"/> | |
5243 <param name="rt" value=":"/> | |
5244 <param name="mz" value=":"/> | |
5245 <param name="int" value=":"/> | |
5246 <param name="sort" value="false"/> | |
5247 <section name="peak_options"> | |
5248 <param name="sn" value="0.0"/> | |
5249 <param name="rm_pc_charge" value=""/> | |
5250 <param name="pc_mz_range" value=":"/> | |
5251 <param name="pc_mz_list" value=""/> | |
5252 <param name="level" value="2"/> | |
5253 <param name="sort_peaks" value="false"/> | |
5254 <param name="no_chromatograms" value="false"/> | |
5255 <param name="remove_chromatograms" value="false"/> | |
5256 <param name="remove_empty" value="false"/> | |
5257 <param name="mz_precision" value="64"/> | |
5258 <param name="int_precision" value="32"/> | |
5259 <param name="indexed_file" value="true"/> | |
5260 <param name="zlib_compression" value="false"/> | |
5261 <section name="numpress"> | |
5262 <param name="masstime" value="none"/> | |
5263 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5264 <param name="intensity" value="none"/> | |
5265 <param name="float_da" value="none"/> | |
5266 </section> | |
5267 </section> | |
5268 <section name="spectra"> | |
5269 <param name="remove_zoom" value="false"/> | |
5270 <param name="remove_mode" value=""/> | |
5271 <param name="remove_activation" value=""/> | |
5272 <param name="remove_collision_energy" value=":"/> | |
5273 <param name="remove_isolation_window_width" value=":"/> | |
5274 <param name="select_zoom" value="false"/> | |
5275 <param name="select_mode" value=""/> | |
5276 <param name="select_activation" value=""/> | |
5277 <param name="select_collision_energy" value=":"/> | |
5278 <param name="select_isolation_window_width" value=":"/> | |
5279 <param name="select_polarity" value=""/> | |
5280 <section name="blackorwhitelist"> | |
5281 <param name="similarity_threshold" value="-1.0"/> | |
5282 <param name="rt" value="0.01"/> | |
5283 <param name="mz" value="0.01"/> | |
5284 <param name="use_ppm_tolerance" value="false"/> | |
5285 <param name="blacklist" value="true"/> | |
5286 </section> | |
5287 </section> | |
5288 <section name="feature"> | |
5289 <param name="q" value=":"/> | |
5290 </section> | |
5291 <section name="consensus"> | |
5292 <param name="map" value=""/> | |
5293 <param name="map_and" value="false"/> | |
5294 <section name="blackorwhitelist"> | |
5295 <param name="blacklist" value="true"/> | |
5296 <param name="maps" value=""/> | |
5297 <param name="rt" value="60.0"/> | |
5298 <param name="mz" value="0.01"/> | |
5299 <param name="use_ppm_tolerance" value="false"/> | |
5300 </section> | |
5301 </section> | |
5302 <section name="f_and_c"> | |
5303 <param name="charge" value=":"/> | |
5304 <param name="size" value=":"/> | |
5305 <param name="remove_meta" value=""/> | |
5306 </section> | |
5307 <section name="id"> | |
5308 <param name="remove_clashes" value="false"/> | |
5309 <param name="keep_best_score_id" value="false"/> | |
5310 <param name="sequences_whitelist" value=""/> | |
5311 <param name="sequence_comparison_method" value="substring"/> | |
5312 <param name="accessions_whitelist" value=""/> | |
5313 <param name="remove_annotated_features" value="false"/> | |
5314 <param name="remove_unannotated_features" value="false"/> | |
5315 <param name="remove_unassigned_ids" value="false"/> | |
5316 <param name="rt" value="0.1"/> | |
5317 <param name="mz" value="0.001"/> | |
5318 <param name="blacklist_imperfect" value="false"/> | |
5319 </section> | |
5320 <section name="algorithm"> | |
5321 <section name="SignalToNoise"> | |
5322 <param name="max_intensity" value="-1"/> | |
5323 <param name="auto_max_stdev_factor" value="3.0"/> | |
5324 <param name="auto_max_percentile" value="95"/> | |
5325 <param name="auto_mode" value="0"/> | |
5326 <param name="win_len" value="200.0"/> | |
5327 <param name="bin_count" value="30"/> | |
5328 <param name="min_required_elements" value="10"/> | |
5329 <param name="noise_for_empty_window" value="1e+20"/> | |
5330 <param name="write_log_messages" value="true"/> | |
5331 </section> | |
5332 </section> | |
5333 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5334 <output name="ctd_out" ftype="xml"> | |
5335 <assert_contents> | |
5336 <is_valid_xml/> | |
5337 </assert_contents> | |
5338 </output> | |
5339 </test> | |
5340 <test expect_num_outputs="2"> | |
5341 <conditional name="adv_opts_cond"> | |
5342 <param name="adv_opts_selector" value="advanced"/> | |
5343 <param name="force" value="false"/> | |
5344 <param name="test" value="true"/> | |
5345 </conditional> | |
5346 <param name="in" value="FileFilter_4_input.mzML"/> | |
5347 <output name="out" file="FileFilter_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5348 <param name="out_type" value="mzML"/> | |
5349 <param name="rt" value=":"/> | |
5350 <param name="mz" value=":"/> | |
5351 <param name="int" value=":"/> | |
5352 <param name="sort" value="false"/> | |
5353 <section name="peak_options"> | |
5354 <param name="sn" value="0.0"/> | |
5355 <param name="rm_pc_charge" value=""/> | |
5356 <param name="pc_mz_range" value=":"/> | |
5357 <param name="pc_mz_list" value=""/> | |
5358 <param name="level" value="1 2 3"/> | |
5359 <param name="sort_peaks" value="false"/> | |
5360 <param name="no_chromatograms" value="false"/> | |
5361 <param name="remove_chromatograms" value="false"/> | |
5362 <param name="remove_empty" value="false"/> | |
5363 <param name="mz_precision" value="64"/> | |
5364 <param name="int_precision" value="32"/> | |
5365 <param name="indexed_file" value="true"/> | |
5366 <param name="zlib_compression" value="false"/> | |
5367 <section name="numpress"> | |
5368 <param name="masstime" value="none"/> | |
5369 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5370 <param name="intensity" value="none"/> | |
5371 <param name="float_da" value="none"/> | |
5372 </section> | |
5373 </section> | |
5374 <section name="spectra"> | |
5375 <param name="remove_zoom" value="true"/> | |
5376 <param name="remove_mode" value=""/> | |
5377 <param name="remove_activation" value=""/> | |
5378 <param name="remove_collision_energy" value=":"/> | |
5379 <param name="remove_isolation_window_width" value=":"/> | |
5380 <param name="select_zoom" value="false"/> | |
5381 <param name="select_mode" value=""/> | |
5382 <param name="select_activation" value=""/> | |
5383 <param name="select_collision_energy" value=":"/> | |
5384 <param name="select_isolation_window_width" value=":"/> | |
5385 <param name="select_polarity" value=""/> | |
5386 <section name="blackorwhitelist"> | |
5387 <param name="similarity_threshold" value="-1.0"/> | |
5388 <param name="rt" value="0.01"/> | |
5389 <param name="mz" value="0.01"/> | |
5390 <param name="use_ppm_tolerance" value="false"/> | |
5391 <param name="blacklist" value="true"/> | |
5392 </section> | |
5393 </section> | |
5394 <section name="feature"> | |
5395 <param name="q" value=":"/> | |
5396 </section> | |
5397 <section name="consensus"> | |
5398 <param name="map" value=""/> | |
5399 <param name="map_and" value="false"/> | |
5400 <section name="blackorwhitelist"> | |
5401 <param name="blacklist" value="true"/> | |
5402 <param name="maps" value=""/> | |
5403 <param name="rt" value="60.0"/> | |
5404 <param name="mz" value="0.01"/> | |
5405 <param name="use_ppm_tolerance" value="false"/> | |
5406 </section> | |
5407 </section> | |
5408 <section name="f_and_c"> | |
5409 <param name="charge" value=":"/> | |
5410 <param name="size" value=":"/> | |
5411 <param name="remove_meta" value=""/> | |
5412 </section> | |
5413 <section name="id"> | |
5414 <param name="remove_clashes" value="false"/> | |
5415 <param name="keep_best_score_id" value="false"/> | |
5416 <param name="sequences_whitelist" value=""/> | |
5417 <param name="sequence_comparison_method" value="substring"/> | |
5418 <param name="accessions_whitelist" value=""/> | |
5419 <param name="remove_annotated_features" value="false"/> | |
5420 <param name="remove_unannotated_features" value="false"/> | |
5421 <param name="remove_unassigned_ids" value="false"/> | |
5422 <param name="rt" value="0.1"/> | |
5423 <param name="mz" value="0.001"/> | |
5424 <param name="blacklist_imperfect" value="false"/> | |
5425 </section> | |
5426 <section name="algorithm"> | |
5427 <section name="SignalToNoise"> | |
5428 <param name="max_intensity" value="-1"/> | |
5429 <param name="auto_max_stdev_factor" value="3.0"/> | |
5430 <param name="auto_max_percentile" value="95"/> | |
5431 <param name="auto_mode" value="0"/> | |
5432 <param name="win_len" value="200.0"/> | |
5433 <param name="bin_count" value="30"/> | |
5434 <param name="min_required_elements" value="10"/> | |
5435 <param name="noise_for_empty_window" value="1e+20"/> | |
5436 <param name="write_log_messages" value="true"/> | |
5437 </section> | |
5438 </section> | |
5439 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5440 <output name="ctd_out" ftype="xml"> | |
5441 <assert_contents> | |
5442 <is_valid_xml/> | |
5443 </assert_contents> | |
5444 </output> | |
5445 </test> | |
5446 <test expect_num_outputs="2"> | |
5447 <conditional name="adv_opts_cond"> | |
5448 <param name="adv_opts_selector" value="advanced"/> | |
5449 <param name="force" value="false"/> | |
5450 <param name="test" value="true"/> | |
5451 </conditional> | |
5452 <param name="in" value="FileFilter_5_input.featureXML"/> | |
5453 <output name="out" file="FileFilter_5_out.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
5454 <param name="out_type" value="featureXML"/> | |
5455 <param name="rt" value=":1000"/> | |
5456 <param name="mz" value=":480"/> | |
5457 <param name="int" value=":79000"/> | |
5458 <param name="sort" value="false"/> | |
5459 <section name="peak_options"> | |
5460 <param name="sn" value="0.0"/> | |
5461 <param name="rm_pc_charge" value=""/> | |
5462 <param name="pc_mz_range" value=":"/> | |
5463 <param name="pc_mz_list" value=""/> | |
5464 <param name="level" value="1 2 3"/> | |
5465 <param name="sort_peaks" value="false"/> | |
5466 <param name="no_chromatograms" value="false"/> | |
5467 <param name="remove_chromatograms" value="false"/> | |
5468 <param name="remove_empty" value="false"/> | |
5469 <param name="mz_precision" value="64"/> | |
5470 <param name="int_precision" value="32"/> | |
5471 <param name="indexed_file" value="true"/> | |
5472 <param name="zlib_compression" value="false"/> | |
5473 <section name="numpress"> | |
5474 <param name="masstime" value="none"/> | |
5475 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5476 <param name="intensity" value="none"/> | |
5477 <param name="float_da" value="none"/> | |
5478 </section> | |
5479 </section> | |
5480 <section name="spectra"> | |
5481 <param name="remove_zoom" value="false"/> | |
5482 <param name="remove_mode" value=""/> | |
5483 <param name="remove_activation" value=""/> | |
5484 <param name="remove_collision_energy" value=":"/> | |
5485 <param name="remove_isolation_window_width" value=":"/> | |
5486 <param name="select_zoom" value="false"/> | |
5487 <param name="select_mode" value=""/> | |
5488 <param name="select_activation" value=""/> | |
5489 <param name="select_collision_energy" value=":"/> | |
5490 <param name="select_isolation_window_width" value=":"/> | |
5491 <param name="select_polarity" value=""/> | |
5492 <section name="blackorwhitelist"> | |
5493 <param name="similarity_threshold" value="-1.0"/> | |
5494 <param name="rt" value="0.01"/> | |
5495 <param name="mz" value="0.01"/> | |
5496 <param name="use_ppm_tolerance" value="false"/> | |
5497 <param name="blacklist" value="true"/> | |
5498 </section> | |
5499 </section> | |
5500 <section name="feature"> | |
5501 <param name="q" value=":0.6"/> | |
5502 </section> | |
5503 <section name="consensus"> | |
5504 <param name="map" value=""/> | |
5505 <param name="map_and" value="false"/> | |
5506 <section name="blackorwhitelist"> | |
5507 <param name="blacklist" value="true"/> | |
5508 <param name="maps" value=""/> | |
5509 <param name="rt" value="60.0"/> | |
5510 <param name="mz" value="0.01"/> | |
5511 <param name="use_ppm_tolerance" value="false"/> | |
5512 </section> | |
5513 </section> | |
5514 <section name="f_and_c"> | |
5515 <param name="charge" value=":3"/> | |
5516 <param name="size" value=":"/> | |
5517 <param name="remove_meta" value=""/> | |
5518 </section> | |
5519 <section name="id"> | |
5520 <param name="remove_clashes" value="false"/> | |
5521 <param name="keep_best_score_id" value="false"/> | |
5522 <param name="sequences_whitelist" value=""/> | |
5523 <param name="sequence_comparison_method" value="substring"/> | |
5524 <param name="accessions_whitelist" value=""/> | |
5525 <param name="remove_annotated_features" value="false"/> | |
5526 <param name="remove_unannotated_features" value="false"/> | |
5527 <param name="remove_unassigned_ids" value="false"/> | |
5528 <param name="rt" value="0.1"/> | |
5529 <param name="mz" value="0.001"/> | |
5530 <param name="blacklist_imperfect" value="false"/> | |
5531 </section> | |
5532 <section name="algorithm"> | |
5533 <section name="SignalToNoise"> | |
5534 <param name="max_intensity" value="-1"/> | |
5535 <param name="auto_max_stdev_factor" value="3.0"/> | |
5536 <param name="auto_max_percentile" value="95"/> | |
5537 <param name="auto_mode" value="0"/> | |
5538 <param name="win_len" value="200.0"/> | |
5539 <param name="bin_count" value="30"/> | |
5540 <param name="min_required_elements" value="10"/> | |
5541 <param name="noise_for_empty_window" value="1e+20"/> | |
5542 <param name="write_log_messages" value="true"/> | |
5543 </section> | |
5544 </section> | |
5545 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5546 <output name="ctd_out" ftype="xml"> | |
5547 <assert_contents> | |
5548 <is_valid_xml/> | |
5549 </assert_contents> | |
5550 </output> | |
5551 </test> | |
5552 <test expect_num_outputs="2"> | |
5553 <conditional name="adv_opts_cond"> | |
5554 <param name="adv_opts_selector" value="advanced"/> | |
5555 <param name="force" value="false"/> | |
5556 <param name="test" value="true"/> | |
5557 </conditional> | |
5558 <param name="in" value="FileFilter_5_input.featureXML"/> | |
5559 <output name="out" file="FileFilter_6_out.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
5560 <param name="out_type" value="featureXML"/> | |
5561 <param name="rt" value="1000:"/> | |
5562 <param name="mz" value="440:"/> | |
5563 <param name="int" value="70000:"/> | |
5564 <param name="sort" value="false"/> | |
5565 <section name="peak_options"> | |
5566 <param name="sn" value="0.0"/> | |
5567 <param name="rm_pc_charge" value=""/> | |
5568 <param name="pc_mz_range" value=":"/> | |
5569 <param name="pc_mz_list" value=""/> | |
5570 <param name="level" value="1 2 3"/> | |
5571 <param name="sort_peaks" value="false"/> | |
5572 <param name="no_chromatograms" value="false"/> | |
5573 <param name="remove_chromatograms" value="false"/> | |
5574 <param name="remove_empty" value="false"/> | |
5575 <param name="mz_precision" value="64"/> | |
5576 <param name="int_precision" value="32"/> | |
5577 <param name="indexed_file" value="true"/> | |
5578 <param name="zlib_compression" value="false"/> | |
5579 <section name="numpress"> | |
5580 <param name="masstime" value="none"/> | |
5581 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5582 <param name="intensity" value="none"/> | |
5583 <param name="float_da" value="none"/> | |
5584 </section> | |
5585 </section> | |
5586 <section name="spectra"> | |
5587 <param name="remove_zoom" value="false"/> | |
5588 <param name="remove_mode" value=""/> | |
5589 <param name="remove_activation" value=""/> | |
5590 <param name="remove_collision_energy" value=":"/> | |
5591 <param name="remove_isolation_window_width" value=":"/> | |
5592 <param name="select_zoom" value="false"/> | |
5593 <param name="select_mode" value=""/> | |
5594 <param name="select_activation" value=""/> | |
5595 <param name="select_collision_energy" value=":"/> | |
5596 <param name="select_isolation_window_width" value=":"/> | |
5597 <param name="select_polarity" value=""/> | |
5598 <section name="blackorwhitelist"> | |
5599 <param name="similarity_threshold" value="-1.0"/> | |
5600 <param name="rt" value="0.01"/> | |
5601 <param name="mz" value="0.01"/> | |
5602 <param name="use_ppm_tolerance" value="false"/> | |
5603 <param name="blacklist" value="true"/> | |
5604 </section> | |
5605 </section> | |
5606 <section name="feature"> | |
5607 <param name="q" value="0.51:"/> | |
5608 </section> | |
5609 <section name="consensus"> | |
5610 <param name="map" value=""/> | |
5611 <param name="map_and" value="false"/> | |
5612 <section name="blackorwhitelist"> | |
5613 <param name="blacklist" value="true"/> | |
5614 <param name="maps" value=""/> | |
5615 <param name="rt" value="60.0"/> | |
5616 <param name="mz" value="0.01"/> | |
5617 <param name="use_ppm_tolerance" value="false"/> | |
5618 </section> | |
5619 </section> | |
5620 <section name="f_and_c"> | |
5621 <param name="charge" value="3:"/> | |
5622 <param name="size" value=":"/> | |
5623 <param name="remove_meta" value=""/> | |
5624 </section> | |
5625 <section name="id"> | |
5626 <param name="remove_clashes" value="false"/> | |
5627 <param name="keep_best_score_id" value="false"/> | |
5628 <param name="sequences_whitelist" value=""/> | |
5629 <param name="sequence_comparison_method" value="substring"/> | |
5630 <param name="accessions_whitelist" value=""/> | |
5631 <param name="remove_annotated_features" value="false"/> | |
5632 <param name="remove_unannotated_features" value="false"/> | |
5633 <param name="remove_unassigned_ids" value="false"/> | |
5634 <param name="rt" value="0.1"/> | |
5635 <param name="mz" value="0.001"/> | |
5636 <param name="blacklist_imperfect" value="false"/> | |
5637 </section> | |
5638 <section name="algorithm"> | |
5639 <section name="SignalToNoise"> | |
5640 <param name="max_intensity" value="-1"/> | |
5641 <param name="auto_max_stdev_factor" value="3.0"/> | |
5642 <param name="auto_max_percentile" value="95"/> | |
5643 <param name="auto_mode" value="0"/> | |
5644 <param name="win_len" value="200.0"/> | |
5645 <param name="bin_count" value="30"/> | |
5646 <param name="min_required_elements" value="10"/> | |
5647 <param name="noise_for_empty_window" value="1e+20"/> | |
5648 <param name="write_log_messages" value="true"/> | |
5649 </section> | |
5650 </section> | |
5651 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5652 <output name="ctd_out" ftype="xml"> | |
5653 <assert_contents> | |
5654 <is_valid_xml/> | |
5655 </assert_contents> | |
5656 </output> | |
5657 </test> | |
5658 <test expect_num_outputs="2"> | |
5659 <conditional name="adv_opts_cond"> | |
5660 <param name="adv_opts_selector" value="advanced"/> | |
5661 <param name="force" value="false"/> | |
5662 <param name="test" value="true"/> | |
5663 </conditional> | |
5664 <param name="in" value="FileFilter_7_input.mzML"/> | |
5665 <output name="out" file="FileFilter_7_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5666 <param name="out_type" value="mzML"/> | |
5667 <param name="rt" value=":"/> | |
5668 <param name="mz" value=":"/> | |
5669 <param name="int" value="7000:"/> | |
5670 <param name="sort" value="false"/> | |
5671 <section name="peak_options"> | |
5672 <param name="sn" value="0.0"/> | |
5673 <param name="rm_pc_charge" value=""/> | |
5674 <param name="pc_mz_range" value=":"/> | |
5675 <param name="pc_mz_list" value=""/> | |
5676 <param name="level" value="1 2 3"/> | |
5677 <param name="sort_peaks" value="false"/> | |
5678 <param name="no_chromatograms" value="false"/> | |
5679 <param name="remove_chromatograms" value="false"/> | |
5680 <param name="remove_empty" value="false"/> | |
5681 <param name="mz_precision" value="64"/> | |
5682 <param name="int_precision" value="32"/> | |
5683 <param name="indexed_file" value="true"/> | |
5684 <param name="zlib_compression" value="false"/> | |
5685 <section name="numpress"> | |
5686 <param name="masstime" value="none"/> | |
5687 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5688 <param name="intensity" value="none"/> | |
5689 <param name="float_da" value="none"/> | |
5690 </section> | |
5691 </section> | |
5692 <section name="spectra"> | |
5693 <param name="remove_zoom" value="false"/> | |
5694 <param name="remove_mode" value=""/> | |
5695 <param name="remove_activation" value=""/> | |
5696 <param name="remove_collision_energy" value=":"/> | |
5697 <param name="remove_isolation_window_width" value=":"/> | |
5698 <param name="select_zoom" value="false"/> | |
5699 <param name="select_mode" value=""/> | |
5700 <param name="select_activation" value=""/> | |
5701 <param name="select_collision_energy" value=":"/> | |
5702 <param name="select_isolation_window_width" value=":"/> | |
5703 <param name="select_polarity" value=""/> | |
5704 <section name="blackorwhitelist"> | |
5705 <param name="similarity_threshold" value="-1.0"/> | |
5706 <param name="rt" value="0.01"/> | |
5707 <param name="mz" value="0.01"/> | |
5708 <param name="use_ppm_tolerance" value="false"/> | |
5709 <param name="blacklist" value="true"/> | |
5710 </section> | |
5711 </section> | |
5712 <section name="feature"> | |
5713 <param name="q" value=":"/> | |
5714 </section> | |
5715 <section name="consensus"> | |
5716 <param name="map" value=""/> | |
5717 <param name="map_and" value="false"/> | |
5718 <section name="blackorwhitelist"> | |
5719 <param name="blacklist" value="true"/> | |
5720 <param name="maps" value=""/> | |
5721 <param name="rt" value="60.0"/> | |
5722 <param name="mz" value="0.01"/> | |
5723 <param name="use_ppm_tolerance" value="false"/> | |
5724 </section> | |
5725 </section> | |
5726 <section name="f_and_c"> | |
5727 <param name="charge" value=":"/> | |
5728 <param name="size" value=":"/> | |
5729 <param name="remove_meta" value=""/> | |
5730 </section> | |
5731 <section name="id"> | |
5732 <param name="remove_clashes" value="false"/> | |
5733 <param name="keep_best_score_id" value="false"/> | |
5734 <param name="sequences_whitelist" value=""/> | |
5735 <param name="sequence_comparison_method" value="substring"/> | |
5736 <param name="accessions_whitelist" value=""/> | |
5737 <param name="remove_annotated_features" value="false"/> | |
5738 <param name="remove_unannotated_features" value="false"/> | |
5739 <param name="remove_unassigned_ids" value="false"/> | |
5740 <param name="rt" value="0.1"/> | |
5741 <param name="mz" value="0.001"/> | |
5742 <param name="blacklist_imperfect" value="false"/> | |
5743 </section> | |
5744 <section name="algorithm"> | |
5745 <section name="SignalToNoise"> | |
5746 <param name="max_intensity" value="-1"/> | |
5747 <param name="auto_max_stdev_factor" value="3.0"/> | |
5748 <param name="auto_max_percentile" value="95"/> | |
5749 <param name="auto_mode" value="0"/> | |
5750 <param name="win_len" value="200.0"/> | |
5751 <param name="bin_count" value="30"/> | |
5752 <param name="min_required_elements" value="10"/> | |
5753 <param name="noise_for_empty_window" value="1e+20"/> | |
5754 <param name="write_log_messages" value="true"/> | |
5755 </section> | |
5756 </section> | |
5757 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5758 <output name="ctd_out" ftype="xml"> | |
5759 <assert_contents> | |
5760 <is_valid_xml/> | |
5761 </assert_contents> | |
5762 </output> | |
5763 </test> | |
5764 <test expect_num_outputs="2"> | |
5765 <conditional name="adv_opts_cond"> | |
5766 <param name="adv_opts_selector" value="advanced"/> | |
5767 <param name="force" value="false"/> | |
5768 <param name="test" value="true"/> | |
5769 </conditional> | |
5770 <param name="in" value="FileFilter_8_input.consensusXML"/> | |
5771 <output name="out" file="FileFilter_8_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
5772 <param name="out_type" value="consensusXML"/> | |
5773 <param name="rt" value="600:1400"/> | |
5774 <param name="mz" value="700:2300"/> | |
5775 <param name="int" value="1100:6000"/> | |
5776 <param name="sort" value="false"/> | |
5777 <section name="peak_options"> | |
5778 <param name="sn" value="0.0"/> | |
5779 <param name="rm_pc_charge" value=""/> | |
5780 <param name="pc_mz_range" value=":"/> | |
5781 <param name="pc_mz_list" value=""/> | |
5782 <param name="level" value="1 2 3"/> | |
5783 <param name="sort_peaks" value="false"/> | |
5784 <param name="no_chromatograms" value="false"/> | |
5785 <param name="remove_chromatograms" value="false"/> | |
5786 <param name="remove_empty" value="false"/> | |
5787 <param name="mz_precision" value="64"/> | |
5788 <param name="int_precision" value="32"/> | |
5789 <param name="indexed_file" value="true"/> | |
5790 <param name="zlib_compression" value="false"/> | |
5791 <section name="numpress"> | |
5792 <param name="masstime" value="none"/> | |
5793 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5794 <param name="intensity" value="none"/> | |
5795 <param name="float_da" value="none"/> | |
5796 </section> | |
5797 </section> | |
5798 <section name="spectra"> | |
5799 <param name="remove_zoom" value="false"/> | |
5800 <param name="remove_mode" value=""/> | |
5801 <param name="remove_activation" value=""/> | |
5802 <param name="remove_collision_energy" value=":"/> | |
5803 <param name="remove_isolation_window_width" value=":"/> | |
5804 <param name="select_zoom" value="false"/> | |
5805 <param name="select_mode" value=""/> | |
5806 <param name="select_activation" value=""/> | |
5807 <param name="select_collision_energy" value=":"/> | |
5808 <param name="select_isolation_window_width" value=":"/> | |
5809 <param name="select_polarity" value=""/> | |
5810 <section name="blackorwhitelist"> | |
5811 <param name="similarity_threshold" value="-1.0"/> | |
5812 <param name="rt" value="0.01"/> | |
5813 <param name="mz" value="0.01"/> | |
5814 <param name="use_ppm_tolerance" value="false"/> | |
5815 <param name="blacklist" value="true"/> | |
5816 </section> | |
5817 </section> | |
5818 <section name="feature"> | |
5819 <param name="q" value=":"/> | |
5820 </section> | |
5821 <section name="consensus"> | |
5822 <param name="map" value=""/> | |
5823 <param name="map_and" value="false"/> | |
5824 <section name="blackorwhitelist"> | |
5825 <param name="blacklist" value="true"/> | |
5826 <param name="maps" value=""/> | |
5827 <param name="rt" value="60.0"/> | |
5828 <param name="mz" value="0.01"/> | |
5829 <param name="use_ppm_tolerance" value="false"/> | |
5830 </section> | |
5831 </section> | |
5832 <section name="f_and_c"> | |
5833 <param name="charge" value=":"/> | |
5834 <param name="size" value=":"/> | |
5835 <param name="remove_meta" value=""/> | |
5836 </section> | |
5837 <section name="id"> | |
5838 <param name="remove_clashes" value="false"/> | |
5839 <param name="keep_best_score_id" value="false"/> | |
5840 <param name="sequences_whitelist" value=""/> | |
5841 <param name="sequence_comparison_method" value="substring"/> | |
5842 <param name="accessions_whitelist" value=""/> | |
5843 <param name="remove_annotated_features" value="false"/> | |
5844 <param name="remove_unannotated_features" value="false"/> | |
5845 <param name="remove_unassigned_ids" value="false"/> | |
5846 <param name="rt" value="0.1"/> | |
5847 <param name="mz" value="0.001"/> | |
5848 <param name="blacklist_imperfect" value="false"/> | |
5849 </section> | |
5850 <section name="algorithm"> | |
5851 <section name="SignalToNoise"> | |
5852 <param name="max_intensity" value="-1"/> | |
5853 <param name="auto_max_stdev_factor" value="3.0"/> | |
5854 <param name="auto_max_percentile" value="95"/> | |
5855 <param name="auto_mode" value="0"/> | |
5856 <param name="win_len" value="200.0"/> | |
5857 <param name="bin_count" value="30"/> | |
5858 <param name="min_required_elements" value="10"/> | |
5859 <param name="noise_for_empty_window" value="1e+20"/> | |
5860 <param name="write_log_messages" value="true"/> | |
5861 </section> | |
5862 </section> | |
5863 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5864 <output name="ctd_out" ftype="xml"> | |
5865 <assert_contents> | |
5866 <is_valid_xml/> | |
5867 </assert_contents> | |
5868 </output> | |
5869 </test> | |
5870 <test expect_num_outputs="2"> | |
5871 <conditional name="adv_opts_cond"> | |
5872 <param name="adv_opts_selector" value="advanced"/> | |
5873 <param name="force" value="false"/> | |
5874 <param name="test" value="true"/> | |
5875 </conditional> | |
5876 <param name="in" value="FileFilter_9_input.mzML"/> | |
5877 <output name="out" file="FileFilter_9_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5878 <param name="out_type" value="mzML"/> | |
5879 <param name="rt" value=":"/> | |
5880 <param name="mz" value=":"/> | |
5881 <param name="int" value=":"/> | |
5882 <param name="sort" value="false"/> | |
5883 <section name="peak_options"> | |
5884 <param name="sn" value="0.0"/> | |
5885 <param name="rm_pc_charge" value=""/> | |
5886 <param name="pc_mz_range" value=":"/> | |
5887 <param name="pc_mz_list" value=""/> | |
5888 <param name="level" value="1 2 3"/> | |
5889 <param name="sort_peaks" value="false"/> | |
5890 <param name="no_chromatograms" value="false"/> | |
5891 <param name="remove_chromatograms" value="false"/> | |
5892 <param name="remove_empty" value="false"/> | |
5893 <param name="mz_precision" value="64"/> | |
5894 <param name="int_precision" value="32"/> | |
5895 <param name="indexed_file" value="true"/> | |
5896 <param name="zlib_compression" value="false"/> | |
5897 <section name="numpress"> | |
5898 <param name="masstime" value="none"/> | |
5899 <param name="lossy_mass_accuracy" value="-1.0"/> | |
5900 <param name="intensity" value="none"/> | |
5901 <param name="float_da" value="none"/> | |
5902 </section> | |
5903 </section> | |
5904 <section name="spectra"> | |
5905 <param name="remove_zoom" value="false"/> | |
5906 <param name="remove_mode" value="SelectedIonMonitoring"/> | |
5907 <param name="remove_activation" value=""/> | |
5908 <param name="remove_collision_energy" value=":"/> | |
5909 <param name="remove_isolation_window_width" value=":"/> | |
5910 <param name="select_zoom" value="false"/> | |
5911 <param name="select_mode" value=""/> | |
5912 <param name="select_activation" value=""/> | |
5913 <param name="select_collision_energy" value=":"/> | |
5914 <param name="select_isolation_window_width" value=":"/> | |
5915 <param name="select_polarity" value=""/> | |
5916 <section name="blackorwhitelist"> | |
5917 <param name="similarity_threshold" value="-1.0"/> | |
5918 <param name="rt" value="0.01"/> | |
5919 <param name="mz" value="0.01"/> | |
5920 <param name="use_ppm_tolerance" value="false"/> | |
5921 <param name="blacklist" value="true"/> | |
5922 </section> | |
5923 </section> | |
5924 <section name="feature"> | |
5925 <param name="q" value=":"/> | |
5926 </section> | |
5927 <section name="consensus"> | |
5928 <param name="map" value=""/> | |
5929 <param name="map_and" value="false"/> | |
5930 <section name="blackorwhitelist"> | |
5931 <param name="blacklist" value="true"/> | |
5932 <param name="maps" value=""/> | |
5933 <param name="rt" value="60.0"/> | |
5934 <param name="mz" value="0.01"/> | |
5935 <param name="use_ppm_tolerance" value="false"/> | |
5936 </section> | |
5937 </section> | |
5938 <section name="f_and_c"> | |
5939 <param name="charge" value=":"/> | |
5940 <param name="size" value=":"/> | |
5941 <param name="remove_meta" value=""/> | |
5942 </section> | |
5943 <section name="id"> | |
5944 <param name="remove_clashes" value="false"/> | |
5945 <param name="keep_best_score_id" value="false"/> | |
5946 <param name="sequences_whitelist" value=""/> | |
5947 <param name="sequence_comparison_method" value="substring"/> | |
5948 <param name="accessions_whitelist" value=""/> | |
5949 <param name="remove_annotated_features" value="false"/> | |
5950 <param name="remove_unannotated_features" value="false"/> | |
5951 <param name="remove_unassigned_ids" value="false"/> | |
5952 <param name="rt" value="0.1"/> | |
5953 <param name="mz" value="0.001"/> | |
5954 <param name="blacklist_imperfect" value="false"/> | |
5955 </section> | |
5956 <section name="algorithm"> | |
5957 <section name="SignalToNoise"> | |
5958 <param name="max_intensity" value="-1"/> | |
5959 <param name="auto_max_stdev_factor" value="3.0"/> | |
5960 <param name="auto_max_percentile" value="95"/> | |
5961 <param name="auto_mode" value="0"/> | |
5962 <param name="win_len" value="200.0"/> | |
5963 <param name="bin_count" value="30"/> | |
5964 <param name="min_required_elements" value="10"/> | |
5965 <param name="noise_for_empty_window" value="1e+20"/> | |
5966 <param name="write_log_messages" value="true"/> | |
5967 </section> | |
5968 </section> | |
5969 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
5970 <output name="ctd_out" ftype="xml"> | |
5971 <assert_contents> | |
5972 <is_valid_xml/> | |
5973 </assert_contents> | |
5974 </output> | |
5975 </test> | |
5976 <test expect_num_outputs="2"> | |
5977 <conditional name="adv_opts_cond"> | |
5978 <param name="adv_opts_selector" value="advanced"/> | |
5979 <param name="force" value="false"/> | |
5980 <param name="test" value="true"/> | |
5981 </conditional> | |
5982 <param name="in" value="FileFilter_10_input.mzML"/> | |
5983 <output name="out" file="FileFilter_10_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
5984 <param name="out_type" value="mzML"/> | |
5985 <param name="rt" value=":"/> | |
5986 <param name="mz" value=":"/> | |
5987 <param name="int" value=":"/> | |
5988 <param name="sort" value="false"/> | |
5989 <section name="peak_options"> | |
5990 <param name="sn" value="0.0"/> | |
5991 <param name="rm_pc_charge" value=""/> | |
5992 <param name="pc_mz_range" value=":"/> | |
5993 <param name="pc_mz_list" value=""/> | |
5994 <param name="level" value="1 2 3"/> | |
5995 <param name="sort_peaks" value="false"/> | |
5996 <param name="no_chromatograms" value="false"/> | |
5997 <param name="remove_chromatograms" value="false"/> | |
5998 <param name="remove_empty" value="false"/> | |
5999 <param name="mz_precision" value="64"/> | |
6000 <param name="int_precision" value="32"/> | |
6001 <param name="indexed_file" value="true"/> | |
6002 <param name="zlib_compression" value="false"/> | |
6003 <section name="numpress"> | |
6004 <param name="masstime" value="none"/> | |
6005 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6006 <param name="intensity" value="none"/> | |
6007 <param name="float_da" value="none"/> | |
6008 </section> | |
6009 </section> | |
6010 <section name="spectra"> | |
6011 <param name="remove_zoom" value="false"/> | |
6012 <param name="remove_mode" value=""/> | |
6013 <param name="remove_activation" value="Collision-induced dissociation"/> | |
6014 <param name="remove_collision_energy" value=":"/> | |
6015 <param name="remove_isolation_window_width" value=":"/> | |
6016 <param name="select_zoom" value="false"/> | |
6017 <param name="select_mode" value=""/> | |
6018 <param name="select_activation" value=""/> | |
6019 <param name="select_collision_energy" value=":"/> | |
6020 <param name="select_isolation_window_width" value=":"/> | |
6021 <param name="select_polarity" value=""/> | |
6022 <section name="blackorwhitelist"> | |
6023 <param name="similarity_threshold" value="-1.0"/> | |
6024 <param name="rt" value="0.01"/> | |
6025 <param name="mz" value="0.01"/> | |
6026 <param name="use_ppm_tolerance" value="false"/> | |
6027 <param name="blacklist" value="true"/> | |
6028 </section> | |
6029 </section> | |
6030 <section name="feature"> | |
6031 <param name="q" value=":"/> | |
6032 </section> | |
6033 <section name="consensus"> | |
6034 <param name="map" value=""/> | |
6035 <param name="map_and" value="false"/> | |
6036 <section name="blackorwhitelist"> | |
6037 <param name="blacklist" value="true"/> | |
6038 <param name="maps" value=""/> | |
6039 <param name="rt" value="60.0"/> | |
6040 <param name="mz" value="0.01"/> | |
6041 <param name="use_ppm_tolerance" value="false"/> | |
6042 </section> | |
6043 </section> | |
6044 <section name="f_and_c"> | |
6045 <param name="charge" value=":"/> | |
6046 <param name="size" value=":"/> | |
6047 <param name="remove_meta" value=""/> | |
6048 </section> | |
6049 <section name="id"> | |
6050 <param name="remove_clashes" value="false"/> | |
6051 <param name="keep_best_score_id" value="false"/> | |
6052 <param name="sequences_whitelist" value=""/> | |
6053 <param name="sequence_comparison_method" value="substring"/> | |
6054 <param name="accessions_whitelist" value=""/> | |
6055 <param name="remove_annotated_features" value="false"/> | |
6056 <param name="remove_unannotated_features" value="false"/> | |
6057 <param name="remove_unassigned_ids" value="false"/> | |
6058 <param name="rt" value="0.1"/> | |
6059 <param name="mz" value="0.001"/> | |
6060 <param name="blacklist_imperfect" value="false"/> | |
6061 </section> | |
6062 <section name="algorithm"> | |
6063 <section name="SignalToNoise"> | |
6064 <param name="max_intensity" value="-1"/> | |
6065 <param name="auto_max_stdev_factor" value="3.0"/> | |
6066 <param name="auto_max_percentile" value="95"/> | |
6067 <param name="auto_mode" value="0"/> | |
6068 <param name="win_len" value="200.0"/> | |
6069 <param name="bin_count" value="30"/> | |
6070 <param name="min_required_elements" value="10"/> | |
6071 <param name="noise_for_empty_window" value="1e+20"/> | |
6072 <param name="write_log_messages" value="true"/> | |
6073 </section> | |
6074 </section> | |
6075 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6076 <output name="ctd_out" ftype="xml"> | |
6077 <assert_contents> | |
6078 <is_valid_xml/> | |
6079 </assert_contents> | |
6080 </output> | |
6081 </test> | |
6082 <test expect_num_outputs="2"> | |
6083 <conditional name="adv_opts_cond"> | |
6084 <param name="adv_opts_selector" value="advanced"/> | |
6085 <param name="force" value="false"/> | |
6086 <param name="test" value="true"/> | |
6087 </conditional> | |
6088 <param name="in" value="FileFilter_11_input.mzML"/> | |
6089 <output name="out" file="FileFilter_11_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
6090 <param name="out_type" value="mzML"/> | |
6091 <param name="rt" value=":"/> | |
6092 <param name="mz" value=":"/> | |
6093 <param name="int" value=":"/> | |
6094 <param name="sort" value="false"/> | |
6095 <section name="peak_options"> | |
6096 <param name="sn" value="0.0"/> | |
6097 <param name="rm_pc_charge" value=""/> | |
6098 <param name="pc_mz_range" value=":"/> | |
6099 <param name="pc_mz_list" value=""/> | |
6100 <param name="level" value="1 2 3"/> | |
6101 <param name="sort_peaks" value="false"/> | |
6102 <param name="no_chromatograms" value="false"/> | |
6103 <param name="remove_chromatograms" value="false"/> | |
6104 <param name="remove_empty" value="false"/> | |
6105 <param name="mz_precision" value="64"/> | |
6106 <param name="int_precision" value="32"/> | |
6107 <param name="indexed_file" value="true"/> | |
6108 <param name="zlib_compression" value="false"/> | |
6109 <section name="numpress"> | |
6110 <param name="masstime" value="none"/> | |
6111 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6112 <param name="intensity" value="none"/> | |
6113 <param name="float_da" value="none"/> | |
6114 </section> | |
6115 </section> | |
6116 <section name="spectra"> | |
6117 <param name="remove_zoom" value="false"/> | |
6118 <param name="remove_mode" value=""/> | |
6119 <param name="remove_activation" value="Plasma desorption"/> | |
6120 <param name="remove_collision_energy" value=":"/> | |
6121 <param name="remove_isolation_window_width" value=":"/> | |
6122 <param name="select_zoom" value="false"/> | |
6123 <param name="select_mode" value=""/> | |
6124 <param name="select_activation" value=""/> | |
6125 <param name="select_collision_energy" value=":"/> | |
6126 <param name="select_isolation_window_width" value=":"/> | |
6127 <param name="select_polarity" value=""/> | |
6128 <section name="blackorwhitelist"> | |
6129 <param name="similarity_threshold" value="-1.0"/> | |
6130 <param name="rt" value="0.01"/> | |
6131 <param name="mz" value="0.01"/> | |
6132 <param name="use_ppm_tolerance" value="false"/> | |
6133 <param name="blacklist" value="true"/> | |
6134 </section> | |
6135 </section> | |
6136 <section name="feature"> | |
6137 <param name="q" value=":"/> | |
6138 </section> | |
6139 <section name="consensus"> | |
6140 <param name="map" value=""/> | |
6141 <param name="map_and" value="false"/> | |
6142 <section name="blackorwhitelist"> | |
6143 <param name="blacklist" value="true"/> | |
6144 <param name="maps" value=""/> | |
6145 <param name="rt" value="60.0"/> | |
6146 <param name="mz" value="0.01"/> | |
6147 <param name="use_ppm_tolerance" value="false"/> | |
6148 </section> | |
6149 </section> | |
6150 <section name="f_and_c"> | |
6151 <param name="charge" value=":"/> | |
6152 <param name="size" value=":"/> | |
6153 <param name="remove_meta" value=""/> | |
6154 </section> | |
6155 <section name="id"> | |
6156 <param name="remove_clashes" value="false"/> | |
6157 <param name="keep_best_score_id" value="false"/> | |
6158 <param name="sequences_whitelist" value=""/> | |
6159 <param name="sequence_comparison_method" value="substring"/> | |
6160 <param name="accessions_whitelist" value=""/> | |
6161 <param name="remove_annotated_features" value="false"/> | |
6162 <param name="remove_unannotated_features" value="false"/> | |
6163 <param name="remove_unassigned_ids" value="false"/> | |
6164 <param name="rt" value="0.1"/> | |
6165 <param name="mz" value="0.001"/> | |
6166 <param name="blacklist_imperfect" value="false"/> | |
6167 </section> | |
6168 <section name="algorithm"> | |
6169 <section name="SignalToNoise"> | |
6170 <param name="max_intensity" value="-1"/> | |
6171 <param name="auto_max_stdev_factor" value="3.0"/> | |
6172 <param name="auto_max_percentile" value="95"/> | |
6173 <param name="auto_mode" value="0"/> | |
6174 <param name="win_len" value="200.0"/> | |
6175 <param name="bin_count" value="30"/> | |
6176 <param name="min_required_elements" value="10"/> | |
6177 <param name="noise_for_empty_window" value="1e+20"/> | |
6178 <param name="write_log_messages" value="true"/> | |
6179 </section> | |
6180 </section> | |
6181 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6182 <output name="ctd_out" ftype="xml"> | |
6183 <assert_contents> | |
6184 <is_valid_xml/> | |
6185 </assert_contents> | |
6186 </output> | |
6187 </test> | |
6188 <test expect_num_outputs="2"> | |
6189 <conditional name="adv_opts_cond"> | |
6190 <param name="adv_opts_selector" value="advanced"/> | |
6191 <param name="force" value="false"/> | |
6192 <param name="test" value="true"/> | |
6193 </conditional> | |
6194 <param name="in" value="FileFilter_12_input.mzML"/> | |
6195 <output name="out" file="FileFilter_12_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
6196 <param name="out_type" value="mzML"/> | |
6197 <param name="rt" value=":"/> | |
6198 <param name="mz" value=":"/> | |
6199 <param name="int" value=":"/> | |
6200 <param name="sort" value="false"/> | |
6201 <section name="peak_options"> | |
6202 <param name="sn" value="0.0"/> | |
6203 <param name="rm_pc_charge" value=""/> | |
6204 <param name="pc_mz_range" value=":"/> | |
6205 <param name="pc_mz_list" value=""/> | |
6206 <param name="level" value="1 2 3"/> | |
6207 <param name="sort_peaks" value="false"/> | |
6208 <param name="no_chromatograms" value="false"/> | |
6209 <param name="remove_chromatograms" value="true"/> | |
6210 <param name="remove_empty" value="false"/> | |
6211 <param name="mz_precision" value="64"/> | |
6212 <param name="int_precision" value="32"/> | |
6213 <param name="indexed_file" value="true"/> | |
6214 <param name="zlib_compression" value="false"/> | |
6215 <section name="numpress"> | |
6216 <param name="masstime" value="none"/> | |
6217 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6218 <param name="intensity" value="none"/> | |
6219 <param name="float_da" value="none"/> | |
6220 </section> | |
6221 </section> | |
6222 <section name="spectra"> | |
6223 <param name="remove_zoom" value="false"/> | |
6224 <param name="remove_mode" value=""/> | |
6225 <param name="remove_activation" value=""/> | |
6226 <param name="remove_collision_energy" value=":"/> | |
6227 <param name="remove_isolation_window_width" value=":"/> | |
6228 <param name="select_zoom" value="false"/> | |
6229 <param name="select_mode" value=""/> | |
6230 <param name="select_activation" value=""/> | |
6231 <param name="select_collision_energy" value=":"/> | |
6232 <param name="select_isolation_window_width" value=":"/> | |
6233 <param name="select_polarity" value=""/> | |
6234 <section name="blackorwhitelist"> | |
6235 <param name="similarity_threshold" value="-1.0"/> | |
6236 <param name="rt" value="0.01"/> | |
6237 <param name="mz" value="0.01"/> | |
6238 <param name="use_ppm_tolerance" value="false"/> | |
6239 <param name="blacklist" value="true"/> | |
6240 </section> | |
6241 </section> | |
6242 <section name="feature"> | |
6243 <param name="q" value=":"/> | |
6244 </section> | |
6245 <section name="consensus"> | |
6246 <param name="map" value=""/> | |
6247 <param name="map_and" value="false"/> | |
6248 <section name="blackorwhitelist"> | |
6249 <param name="blacklist" value="true"/> | |
6250 <param name="maps" value=""/> | |
6251 <param name="rt" value="60.0"/> | |
6252 <param name="mz" value="0.01"/> | |
6253 <param name="use_ppm_tolerance" value="false"/> | |
6254 </section> | |
6255 </section> | |
6256 <section name="f_and_c"> | |
6257 <param name="charge" value=":"/> | |
6258 <param name="size" value=":"/> | |
6259 <param name="remove_meta" value=""/> | |
6260 </section> | |
6261 <section name="id"> | |
6262 <param name="remove_clashes" value="false"/> | |
6263 <param name="keep_best_score_id" value="false"/> | |
6264 <param name="sequences_whitelist" value=""/> | |
6265 <param name="sequence_comparison_method" value="substring"/> | |
6266 <param name="accessions_whitelist" value=""/> | |
6267 <param name="remove_annotated_features" value="false"/> | |
6268 <param name="remove_unannotated_features" value="false"/> | |
6269 <param name="remove_unassigned_ids" value="false"/> | |
6270 <param name="rt" value="0.1"/> | |
6271 <param name="mz" value="0.001"/> | |
6272 <param name="blacklist_imperfect" value="false"/> | |
6273 </section> | |
6274 <section name="algorithm"> | |
6275 <section name="SignalToNoise"> | |
6276 <param name="max_intensity" value="-1"/> | |
6277 <param name="auto_max_stdev_factor" value="3.0"/> | |
6278 <param name="auto_max_percentile" value="95"/> | |
6279 <param name="auto_mode" value="0"/> | |
6280 <param name="win_len" value="200.0"/> | |
6281 <param name="bin_count" value="30"/> | |
6282 <param name="min_required_elements" value="10"/> | |
6283 <param name="noise_for_empty_window" value="1e+20"/> | |
6284 <param name="write_log_messages" value="true"/> | |
6285 </section> | |
6286 </section> | |
6287 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6288 <output name="ctd_out" ftype="xml"> | |
6289 <assert_contents> | |
6290 <is_valid_xml/> | |
6291 </assert_contents> | |
6292 </output> | |
6293 </test> | |
6294 <test expect_num_outputs="2"> | |
6295 <conditional name="adv_opts_cond"> | |
6296 <param name="adv_opts_selector" value="advanced"/> | |
6297 <param name="force" value="false"/> | |
6298 <param name="test" value="true"/> | |
6299 </conditional> | |
6300 <param name="in" value="FileFilter_13_input.consensusXML"/> | |
6301 <output name="out" file="FileFilter_13_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
6302 <param name="out_type" value="featureXML"/> | |
6303 <param name="rt" value=":"/> | |
6304 <param name="mz" value=":"/> | |
6305 <param name="int" value=":"/> | |
6306 <param name="sort" value="false"/> | |
6307 <section name="peak_options"> | |
6308 <param name="sn" value="0.0"/> | |
6309 <param name="rm_pc_charge" value=""/> | |
6310 <param name="pc_mz_range" value=":"/> | |
6311 <param name="pc_mz_list" value=""/> | |
6312 <param name="level" value="1 2 3"/> | |
6313 <param name="sort_peaks" value="false"/> | |
6314 <param name="no_chromatograms" value="false"/> | |
6315 <param name="remove_chromatograms" value="false"/> | |
6316 <param name="remove_empty" value="false"/> | |
6317 <param name="mz_precision" value="64"/> | |
6318 <param name="int_precision" value="32"/> | |
6319 <param name="indexed_file" value="true"/> | |
6320 <param name="zlib_compression" value="false"/> | |
6321 <section name="numpress"> | |
6322 <param name="masstime" value="none"/> | |
6323 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6324 <param name="intensity" value="none"/> | |
6325 <param name="float_da" value="none"/> | |
6326 </section> | |
6327 </section> | |
6328 <section name="spectra"> | |
6329 <param name="remove_zoom" value="false"/> | |
6330 <param name="remove_mode" value=""/> | |
6331 <param name="remove_activation" value=""/> | |
6332 <param name="remove_collision_energy" value=":"/> | |
6333 <param name="remove_isolation_window_width" value=":"/> | |
6334 <param name="select_zoom" value="false"/> | |
6335 <param name="select_mode" value=""/> | |
6336 <param name="select_activation" value=""/> | |
6337 <param name="select_collision_energy" value=":"/> | |
6338 <param name="select_isolation_window_width" value=":"/> | |
6339 <param name="select_polarity" value=""/> | |
6340 <section name="blackorwhitelist"> | |
6341 <param name="similarity_threshold" value="-1.0"/> | |
6342 <param name="rt" value="0.01"/> | |
6343 <param name="mz" value="0.01"/> | |
6344 <param name="use_ppm_tolerance" value="false"/> | |
6345 <param name="blacklist" value="true"/> | |
6346 </section> | |
6347 </section> | |
6348 <section name="feature"> | |
6349 <param name="q" value=":"/> | |
6350 </section> | |
6351 <section name="consensus"> | |
6352 <param name="map" value="2"/> | |
6353 <param name="map_and" value="false"/> | |
6354 <section name="blackorwhitelist"> | |
6355 <param name="blacklist" value="true"/> | |
6356 <param name="maps" value=""/> | |
6357 <param name="rt" value="60.0"/> | |
6358 <param name="mz" value="0.01"/> | |
6359 <param name="use_ppm_tolerance" value="false"/> | |
6360 </section> | |
6361 </section> | |
6362 <section name="f_and_c"> | |
6363 <param name="charge" value=":"/> | |
6364 <param name="size" value=":"/> | |
6365 <param name="remove_meta" value=""/> | |
6366 </section> | |
6367 <section name="id"> | |
6368 <param name="remove_clashes" value="false"/> | |
6369 <param name="keep_best_score_id" value="false"/> | |
6370 <param name="sequences_whitelist" value=""/> | |
6371 <param name="sequence_comparison_method" value="substring"/> | |
6372 <param name="accessions_whitelist" value=""/> | |
6373 <param name="remove_annotated_features" value="false"/> | |
6374 <param name="remove_unannotated_features" value="false"/> | |
6375 <param name="remove_unassigned_ids" value="false"/> | |
6376 <param name="rt" value="0.1"/> | |
6377 <param name="mz" value="0.001"/> | |
6378 <param name="blacklist_imperfect" value="false"/> | |
6379 </section> | |
6380 <section name="algorithm"> | |
6381 <section name="SignalToNoise"> | |
6382 <param name="max_intensity" value="-1"/> | |
6383 <param name="auto_max_stdev_factor" value="3.0"/> | |
6384 <param name="auto_max_percentile" value="95"/> | |
6385 <param name="auto_mode" value="0"/> | |
6386 <param name="win_len" value="200.0"/> | |
6387 <param name="bin_count" value="30"/> | |
6388 <param name="min_required_elements" value="10"/> | |
6389 <param name="noise_for_empty_window" value="1e+20"/> | |
6390 <param name="write_log_messages" value="true"/> | |
6391 </section> | |
6392 </section> | |
6393 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6394 <output name="ctd_out" ftype="xml"> | |
6395 <assert_contents> | |
6396 <is_valid_xml/> | |
6397 </assert_contents> | |
6398 </output> | |
6399 </test> | |
6400 <test expect_num_outputs="2"> | |
6401 <conditional name="adv_opts_cond"> | |
6402 <param name="adv_opts_selector" value="advanced"/> | |
6403 <param name="force" value="false"/> | |
6404 <param name="test" value="true"/> | |
6405 </conditional> | |
6406 <param name="in" value="FileFilter_14_input.consensusXML"/> | |
6407 <output name="out" file="FileFilter_14_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
6408 <param name="out_type" value="consensusXML"/> | |
6409 <param name="rt" value=":"/> | |
6410 <param name="mz" value=":"/> | |
6411 <param name="int" value=":"/> | |
6412 <param name="sort" value="false"/> | |
6413 <section name="peak_options"> | |
6414 <param name="sn" value="0.0"/> | |
6415 <param name="rm_pc_charge" value=""/> | |
6416 <param name="pc_mz_range" value=":"/> | |
6417 <param name="pc_mz_list" value=""/> | |
6418 <param name="level" value="1 2 3"/> | |
6419 <param name="sort_peaks" value="false"/> | |
6420 <param name="no_chromatograms" value="false"/> | |
6421 <param name="remove_chromatograms" value="false"/> | |
6422 <param name="remove_empty" value="false"/> | |
6423 <param name="mz_precision" value="64"/> | |
6424 <param name="int_precision" value="32"/> | |
6425 <param name="indexed_file" value="true"/> | |
6426 <param name="zlib_compression" value="false"/> | |
6427 <section name="numpress"> | |
6428 <param name="masstime" value="none"/> | |
6429 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6430 <param name="intensity" value="none"/> | |
6431 <param name="float_da" value="none"/> | |
6432 </section> | |
6433 </section> | |
6434 <section name="spectra"> | |
6435 <param name="remove_zoom" value="false"/> | |
6436 <param name="remove_mode" value=""/> | |
6437 <param name="remove_activation" value=""/> | |
6438 <param name="remove_collision_energy" value=":"/> | |
6439 <param name="remove_isolation_window_width" value=":"/> | |
6440 <param name="select_zoom" value="false"/> | |
6441 <param name="select_mode" value=""/> | |
6442 <param name="select_activation" value=""/> | |
6443 <param name="select_collision_energy" value=":"/> | |
6444 <param name="select_isolation_window_width" value=":"/> | |
6445 <param name="select_polarity" value=""/> | |
6446 <section name="blackorwhitelist"> | |
6447 <param name="similarity_threshold" value="-1.0"/> | |
6448 <param name="rt" value="0.01"/> | |
6449 <param name="mz" value="0.01"/> | |
6450 <param name="use_ppm_tolerance" value="false"/> | |
6451 <param name="blacklist" value="true"/> | |
6452 </section> | |
6453 </section> | |
6454 <section name="feature"> | |
6455 <param name="q" value=":"/> | |
6456 </section> | |
6457 <section name="consensus"> | |
6458 <param name="map" value="0 2"/> | |
6459 <param name="map_and" value="false"/> | |
6460 <section name="blackorwhitelist"> | |
6461 <param name="blacklist" value="true"/> | |
6462 <param name="maps" value=""/> | |
6463 <param name="rt" value="60.0"/> | |
6464 <param name="mz" value="0.01"/> | |
6465 <param name="use_ppm_tolerance" value="false"/> | |
6466 </section> | |
6467 </section> | |
6468 <section name="f_and_c"> | |
6469 <param name="charge" value=":"/> | |
6470 <param name="size" value=":"/> | |
6471 <param name="remove_meta" value=""/> | |
6472 </section> | |
6473 <section name="id"> | |
6474 <param name="remove_clashes" value="false"/> | |
6475 <param name="keep_best_score_id" value="false"/> | |
6476 <param name="sequences_whitelist" value=""/> | |
6477 <param name="sequence_comparison_method" value="substring"/> | |
6478 <param name="accessions_whitelist" value=""/> | |
6479 <param name="remove_annotated_features" value="false"/> | |
6480 <param name="remove_unannotated_features" value="false"/> | |
6481 <param name="remove_unassigned_ids" value="false"/> | |
6482 <param name="rt" value="0.1"/> | |
6483 <param name="mz" value="0.001"/> | |
6484 <param name="blacklist_imperfect" value="false"/> | |
6485 </section> | |
6486 <section name="algorithm"> | |
6487 <section name="SignalToNoise"> | |
6488 <param name="max_intensity" value="-1"/> | |
6489 <param name="auto_max_stdev_factor" value="3.0"/> | |
6490 <param name="auto_max_percentile" value="95"/> | |
6491 <param name="auto_mode" value="0"/> | |
6492 <param name="win_len" value="200.0"/> | |
6493 <param name="bin_count" value="30"/> | |
6494 <param name="min_required_elements" value="10"/> | |
6495 <param name="noise_for_empty_window" value="1e+20"/> | |
6496 <param name="write_log_messages" value="true"/> | |
6497 </section> | |
6498 </section> | |
6499 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6500 <output name="ctd_out" ftype="xml"> | |
6501 <assert_contents> | |
6502 <is_valid_xml/> | |
6503 </assert_contents> | |
6504 </output> | |
6505 </test> | |
6506 <test expect_num_outputs="2"> | |
6507 <conditional name="adv_opts_cond"> | |
6508 <param name="adv_opts_selector" value="advanced"/> | |
6509 <param name="force" value="false"/> | |
6510 <param name="test" value="true"/> | |
6511 </conditional> | |
6512 <param name="in" value="FileFilter_15_input.featureXML"/> | |
6513 <output name="out" file="FileFilter_15_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
6514 <param name="out_type" value="featurexml"/> | |
6515 <param name="rt" value=":"/> | |
6516 <param name="mz" value=":"/> | |
6517 <param name="int" value=":"/> | |
6518 <param name="sort" value="false"/> | |
6519 <section name="peak_options"> | |
6520 <param name="sn" value="0.0"/> | |
6521 <param name="rm_pc_charge" value=""/> | |
6522 <param name="pc_mz_range" value=":"/> | |
6523 <param name="pc_mz_list" value=""/> | |
6524 <param name="level" value="1 2 3"/> | |
6525 <param name="sort_peaks" value="false"/> | |
6526 <param name="no_chromatograms" value="false"/> | |
6527 <param name="remove_chromatograms" value="false"/> | |
6528 <param name="remove_empty" value="false"/> | |
6529 <param name="mz_precision" value="64"/> | |
6530 <param name="int_precision" value="32"/> | |
6531 <param name="indexed_file" value="true"/> | |
6532 <param name="zlib_compression" value="false"/> | |
6533 <section name="numpress"> | |
6534 <param name="masstime" value="none"/> | |
6535 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6536 <param name="intensity" value="none"/> | |
6537 <param name="float_da" value="none"/> | |
6538 </section> | |
6539 </section> | |
6540 <section name="spectra"> | |
6541 <param name="remove_zoom" value="false"/> | |
6542 <param name="remove_mode" value=""/> | |
6543 <param name="remove_activation" value=""/> | |
6544 <param name="remove_collision_energy" value=":"/> | |
6545 <param name="remove_isolation_window_width" value=":"/> | |
6546 <param name="select_zoom" value="false"/> | |
6547 <param name="select_mode" value=""/> | |
6548 <param name="select_activation" value=""/> | |
6549 <param name="select_collision_energy" value=":"/> | |
6550 <param name="select_isolation_window_width" value=":"/> | |
6551 <param name="select_polarity" value=""/> | |
6552 <section name="blackorwhitelist"> | |
6553 <param name="similarity_threshold" value="-1.0"/> | |
6554 <param name="rt" value="0.01"/> | |
6555 <param name="mz" value="0.01"/> | |
6556 <param name="use_ppm_tolerance" value="false"/> | |
6557 <param name="blacklist" value="true"/> | |
6558 </section> | |
6559 </section> | |
6560 <section name="feature"> | |
6561 <param name="q" value=":"/> | |
6562 </section> | |
6563 <section name="consensus"> | |
6564 <param name="map" value=""/> | |
6565 <param name="map_and" value="false"/> | |
6566 <section name="blackorwhitelist"> | |
6567 <param name="blacklist" value="true"/> | |
6568 <param name="maps" value=""/> | |
6569 <param name="rt" value="60.0"/> | |
6570 <param name="mz" value="0.01"/> | |
6571 <param name="use_ppm_tolerance" value="false"/> | |
6572 </section> | |
6573 </section> | |
6574 <section name="f_and_c"> | |
6575 <param name="charge" value=":"/> | |
6576 <param name="size" value=":"/> | |
6577 <param name="remove_meta" value=""/> | |
6578 </section> | |
6579 <section name="id"> | |
6580 <param name="remove_clashes" value="false"/> | |
6581 <param name="keep_best_score_id" value="false"/> | |
6582 <param name="sequences_whitelist" value=""Oxidation""/> | |
6583 <param name="sequence_comparison_method" value="substring"/> | |
6584 <param name="accessions_whitelist" value=""/> | |
6585 <param name="remove_annotated_features" value="false"/> | |
6586 <param name="remove_unannotated_features" value="false"/> | |
6587 <param name="remove_unassigned_ids" value="true"/> | |
6588 <param name="rt" value="0.1"/> | |
6589 <param name="mz" value="0.001"/> | |
6590 <param name="blacklist_imperfect" value="false"/> | |
6591 </section> | |
6592 <section name="algorithm"> | |
6593 <section name="SignalToNoise"> | |
6594 <param name="max_intensity" value="-1"/> | |
6595 <param name="auto_max_stdev_factor" value="3.0"/> | |
6596 <param name="auto_max_percentile" value="95"/> | |
6597 <param name="auto_mode" value="0"/> | |
6598 <param name="win_len" value="200.0"/> | |
6599 <param name="bin_count" value="30"/> | |
6600 <param name="min_required_elements" value="10"/> | |
6601 <param name="noise_for_empty_window" value="1e+20"/> | |
6602 <param name="write_log_messages" value="true"/> | |
6603 </section> | |
6604 </section> | |
6605 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6606 <output name="ctd_out" ftype="xml"> | |
6607 <assert_contents> | |
6608 <is_valid_xml/> | |
6609 </assert_contents> | |
6610 </output> | |
6611 </test> | |
6612 <test expect_num_outputs="2"> | |
6613 <conditional name="adv_opts_cond"> | |
6614 <param name="adv_opts_selector" value="advanced"/> | |
6615 <param name="force" value="false"/> | |
6616 <param name="test" value="true"/> | |
6617 </conditional> | |
6618 <param name="in" value="FileFilter_15_input.featureXML"/> | |
6619 <output name="out" file="FileFilter_16_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
6620 <param name="out_type" value="featurexml"/> | |
6621 <param name="rt" value="3000:4000"/> | |
6622 <param name="mz" value="400:600"/> | |
6623 <param name="int" value=":"/> | |
6624 <param name="sort" value="false"/> | |
6625 <section name="peak_options"> | |
6626 <param name="sn" value="0.0"/> | |
6627 <param name="rm_pc_charge" value=""/> | |
6628 <param name="pc_mz_range" value=":"/> | |
6629 <param name="pc_mz_list" value=""/> | |
6630 <param name="level" value="1 2 3"/> | |
6631 <param name="sort_peaks" value="false"/> | |
6632 <param name="no_chromatograms" value="false"/> | |
6633 <param name="remove_chromatograms" value="false"/> | |
6634 <param name="remove_empty" value="false"/> | |
6635 <param name="mz_precision" value="64"/> | |
6636 <param name="int_precision" value="32"/> | |
6637 <param name="indexed_file" value="true"/> | |
6638 <param name="zlib_compression" value="false"/> | |
6639 <section name="numpress"> | |
6640 <param name="masstime" value="none"/> | |
6641 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6642 <param name="intensity" value="none"/> | |
6643 <param name="float_da" value="none"/> | |
6644 </section> | |
6645 </section> | |
6646 <section name="spectra"> | |
6647 <param name="remove_zoom" value="false"/> | |
6648 <param name="remove_mode" value=""/> | |
6649 <param name="remove_activation" value=""/> | |
6650 <param name="remove_collision_energy" value=":"/> | |
6651 <param name="remove_isolation_window_width" value=":"/> | |
6652 <param name="select_zoom" value="false"/> | |
6653 <param name="select_mode" value=""/> | |
6654 <param name="select_activation" value=""/> | |
6655 <param name="select_collision_energy" value=":"/> | |
6656 <param name="select_isolation_window_width" value=":"/> | |
6657 <param name="select_polarity" value=""/> | |
6658 <section name="blackorwhitelist"> | |
6659 <param name="similarity_threshold" value="-1.0"/> | |
6660 <param name="rt" value="0.01"/> | |
6661 <param name="mz" value="0.01"/> | |
6662 <param name="use_ppm_tolerance" value="false"/> | |
6663 <param name="blacklist" value="true"/> | |
6664 </section> | |
6665 </section> | |
6666 <section name="feature"> | |
6667 <param name="q" value=":"/> | |
6668 </section> | |
6669 <section name="consensus"> | |
6670 <param name="map" value=""/> | |
6671 <param name="map_and" value="false"/> | |
6672 <section name="blackorwhitelist"> | |
6673 <param name="blacklist" value="true"/> | |
6674 <param name="maps" value=""/> | |
6675 <param name="rt" value="60.0"/> | |
6676 <param name="mz" value="0.01"/> | |
6677 <param name="use_ppm_tolerance" value="false"/> | |
6678 </section> | |
6679 </section> | |
6680 <section name="f_and_c"> | |
6681 <param name="charge" value=":"/> | |
6682 <param name="size" value=":"/> | |
6683 <param name="remove_meta" value=""/> | |
6684 </section> | |
6685 <section name="id"> | |
6686 <param name="remove_clashes" value="false"/> | |
6687 <param name="keep_best_score_id" value="false"/> | |
6688 <param name="sequences_whitelist" value=""Oxidation""/> | |
6689 <param name="sequence_comparison_method" value="substring"/> | |
6690 <param name="accessions_whitelist" value=""/> | |
6691 <param name="remove_annotated_features" value="false"/> | |
6692 <param name="remove_unannotated_features" value="false"/> | |
6693 <param name="remove_unassigned_ids" value="true"/> | |
6694 <param name="rt" value="0.1"/> | |
6695 <param name="mz" value="0.001"/> | |
6696 <param name="blacklist_imperfect" value="false"/> | |
6697 </section> | |
6698 <section name="algorithm"> | |
6699 <section name="SignalToNoise"> | |
6700 <param name="max_intensity" value="-1"/> | |
6701 <param name="auto_max_stdev_factor" value="3.0"/> | |
6702 <param name="auto_max_percentile" value="95"/> | |
6703 <param name="auto_mode" value="0"/> | |
6704 <param name="win_len" value="200.0"/> | |
6705 <param name="bin_count" value="30"/> | |
6706 <param name="min_required_elements" value="10"/> | |
6707 <param name="noise_for_empty_window" value="1e+20"/> | |
6708 <param name="write_log_messages" value="true"/> | |
6709 </section> | |
6710 </section> | |
6711 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6712 <output name="ctd_out" ftype="xml"> | |
6713 <assert_contents> | |
6714 <is_valid_xml/> | |
6715 </assert_contents> | |
6716 </output> | |
6717 </test> | |
6718 <test expect_num_outputs="2"> | |
6719 <conditional name="adv_opts_cond"> | |
6720 <param name="adv_opts_selector" value="advanced"/> | |
6721 <param name="force" value="false"/> | |
6722 <param name="test" value="true"/> | |
6723 </conditional> | |
6724 <param name="in" value="FileFilter_15_input.featureXML"/> | |
6725 <output name="out" file="FileFilter_17_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
6726 <param name="out_type" value="featurexml"/> | |
6727 <param name="rt" value="3000:4000"/> | |
6728 <param name="mz" value="400:600"/> | |
6729 <param name="int" value=":"/> | |
6730 <param name="sort" value="false"/> | |
6731 <section name="peak_options"> | |
6732 <param name="sn" value="0.0"/> | |
6733 <param name="rm_pc_charge" value=""/> | |
6734 <param name="pc_mz_range" value=":"/> | |
6735 <param name="pc_mz_list" value=""/> | |
6736 <param name="level" value="1 2 3"/> | |
6737 <param name="sort_peaks" value="false"/> | |
6738 <param name="no_chromatograms" value="false"/> | |
6739 <param name="remove_chromatograms" value="false"/> | |
6740 <param name="remove_empty" value="false"/> | |
6741 <param name="mz_precision" value="64"/> | |
6742 <param name="int_precision" value="32"/> | |
6743 <param name="indexed_file" value="true"/> | |
6744 <param name="zlib_compression" value="false"/> | |
6745 <section name="numpress"> | |
6746 <param name="masstime" value="none"/> | |
6747 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6748 <param name="intensity" value="none"/> | |
6749 <param name="float_da" value="none"/> | |
6750 </section> | |
6751 </section> | |
6752 <section name="spectra"> | |
6753 <param name="remove_zoom" value="false"/> | |
6754 <param name="remove_mode" value=""/> | |
6755 <param name="remove_activation" value=""/> | |
6756 <param name="remove_collision_energy" value=":"/> | |
6757 <param name="remove_isolation_window_width" value=":"/> | |
6758 <param name="select_zoom" value="false"/> | |
6759 <param name="select_mode" value=""/> | |
6760 <param name="select_activation" value=""/> | |
6761 <param name="select_collision_energy" value=":"/> | |
6762 <param name="select_isolation_window_width" value=":"/> | |
6763 <param name="select_polarity" value=""/> | |
6764 <section name="blackorwhitelist"> | |
6765 <param name="similarity_threshold" value="-1.0"/> | |
6766 <param name="rt" value="0.01"/> | |
6767 <param name="mz" value="0.01"/> | |
6768 <param name="use_ppm_tolerance" value="false"/> | |
6769 <param name="blacklist" value="true"/> | |
6770 </section> | |
6771 </section> | |
6772 <section name="feature"> | |
6773 <param name="q" value=":"/> | |
6774 </section> | |
6775 <section name="consensus"> | |
6776 <param name="map" value=""/> | |
6777 <param name="map_and" value="false"/> | |
6778 <section name="blackorwhitelist"> | |
6779 <param name="blacklist" value="true"/> | |
6780 <param name="maps" value=""/> | |
6781 <param name="rt" value="60.0"/> | |
6782 <param name="mz" value="0.01"/> | |
6783 <param name="use_ppm_tolerance" value="false"/> | |
6784 </section> | |
6785 </section> | |
6786 <section name="f_and_c"> | |
6787 <param name="charge" value=":"/> | |
6788 <param name="size" value=":"/> | |
6789 <param name="remove_meta" value=""/> | |
6790 </section> | |
6791 <section name="id"> | |
6792 <param name="remove_clashes" value="false"/> | |
6793 <param name="keep_best_score_id" value="false"/> | |
6794 <param name="sequences_whitelist" value=""/> | |
6795 <param name="sequence_comparison_method" value="substring"/> | |
6796 <param name="accessions_whitelist" value=""/> | |
6797 <param name="remove_annotated_features" value="true"/> | |
6798 <param name="remove_unannotated_features" value="false"/> | |
6799 <param name="remove_unassigned_ids" value="false"/> | |
6800 <param name="rt" value="0.1"/> | |
6801 <param name="mz" value="0.001"/> | |
6802 <param name="blacklist_imperfect" value="false"/> | |
6803 </section> | |
6804 <section name="algorithm"> | |
6805 <section name="SignalToNoise"> | |
6806 <param name="max_intensity" value="-1"/> | |
6807 <param name="auto_max_stdev_factor" value="3.0"/> | |
6808 <param name="auto_max_percentile" value="95"/> | |
6809 <param name="auto_mode" value="0"/> | |
6810 <param name="win_len" value="200.0"/> | |
6811 <param name="bin_count" value="30"/> | |
6812 <param name="min_required_elements" value="10"/> | |
6813 <param name="noise_for_empty_window" value="1e+20"/> | |
6814 <param name="write_log_messages" value="true"/> | |
6815 </section> | |
6816 </section> | |
6817 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6818 <output name="ctd_out" ftype="xml"> | |
6819 <assert_contents> | |
6820 <is_valid_xml/> | |
6821 </assert_contents> | |
6822 </output> | |
6823 </test> | |
6824 <test expect_num_outputs="2"> | |
6825 <conditional name="adv_opts_cond"> | |
6826 <param name="adv_opts_selector" value="advanced"/> | |
6827 <param name="force" value="false"/> | |
6828 <param name="test" value="true"/> | |
6829 </conditional> | |
6830 <param name="in" value="FileFilter_18_input.consensusXML"/> | |
6831 <output name="out" file="FileFilter_18_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
6832 <param name="out_type" value="consensusxml"/> | |
6833 <param name="rt" value=":"/> | |
6834 <param name="mz" value=":"/> | |
6835 <param name="int" value=":"/> | |
6836 <param name="sort" value="false"/> | |
6837 <section name="peak_options"> | |
6838 <param name="sn" value="0.0"/> | |
6839 <param name="rm_pc_charge" value=""/> | |
6840 <param name="pc_mz_range" value=":"/> | |
6841 <param name="pc_mz_list" value=""/> | |
6842 <param name="level" value="1 2 3"/> | |
6843 <param name="sort_peaks" value="false"/> | |
6844 <param name="no_chromatograms" value="false"/> | |
6845 <param name="remove_chromatograms" value="false"/> | |
6846 <param name="remove_empty" value="false"/> | |
6847 <param name="mz_precision" value="64"/> | |
6848 <param name="int_precision" value="32"/> | |
6849 <param name="indexed_file" value="true"/> | |
6850 <param name="zlib_compression" value="false"/> | |
6851 <section name="numpress"> | |
6852 <param name="masstime" value="none"/> | |
6853 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6854 <param name="intensity" value="none"/> | |
6855 <param name="float_da" value="none"/> | |
6856 </section> | |
6857 </section> | |
6858 <section name="spectra"> | |
6859 <param name="remove_zoom" value="false"/> | |
6860 <param name="remove_mode" value=""/> | |
6861 <param name="remove_activation" value=""/> | |
6862 <param name="remove_collision_energy" value=":"/> | |
6863 <param name="remove_isolation_window_width" value=":"/> | |
6864 <param name="select_zoom" value="false"/> | |
6865 <param name="select_mode" value=""/> | |
6866 <param name="select_activation" value=""/> | |
6867 <param name="select_collision_energy" value=":"/> | |
6868 <param name="select_isolation_window_width" value=":"/> | |
6869 <param name="select_polarity" value=""/> | |
6870 <section name="blackorwhitelist"> | |
6871 <param name="similarity_threshold" value="-1.0"/> | |
6872 <param name="rt" value="0.01"/> | |
6873 <param name="mz" value="0.01"/> | |
6874 <param name="use_ppm_tolerance" value="false"/> | |
6875 <param name="blacklist" value="true"/> | |
6876 </section> | |
6877 </section> | |
6878 <section name="feature"> | |
6879 <param name="q" value=":"/> | |
6880 </section> | |
6881 <section name="consensus"> | |
6882 <param name="map" value=""/> | |
6883 <param name="map_and" value="false"/> | |
6884 <section name="blackorwhitelist"> | |
6885 <param name="blacklist" value="true"/> | |
6886 <param name="maps" value=""/> | |
6887 <param name="rt" value="60.0"/> | |
6888 <param name="mz" value="0.01"/> | |
6889 <param name="use_ppm_tolerance" value="false"/> | |
6890 </section> | |
6891 </section> | |
6892 <section name="f_and_c"> | |
6893 <param name="charge" value=":"/> | |
6894 <param name="size" value=":"/> | |
6895 <param name="remove_meta" value=""/> | |
6896 </section> | |
6897 <section name="id"> | |
6898 <param name="remove_clashes" value="false"/> | |
6899 <param name="keep_best_score_id" value="false"/> | |
6900 <param name="sequences_whitelist" value=""Oxidation""/> | |
6901 <param name="sequence_comparison_method" value="substring"/> | |
6902 <param name="accessions_whitelist" value=""/> | |
6903 <param name="remove_annotated_features" value="false"/> | |
6904 <param name="remove_unannotated_features" value="false"/> | |
6905 <param name="remove_unassigned_ids" value="true"/> | |
6906 <param name="rt" value="0.1"/> | |
6907 <param name="mz" value="0.001"/> | |
6908 <param name="blacklist_imperfect" value="false"/> | |
6909 </section> | |
6910 <section name="algorithm"> | |
6911 <section name="SignalToNoise"> | |
6912 <param name="max_intensity" value="-1"/> | |
6913 <param name="auto_max_stdev_factor" value="3.0"/> | |
6914 <param name="auto_max_percentile" value="95"/> | |
6915 <param name="auto_mode" value="0"/> | |
6916 <param name="win_len" value="200.0"/> | |
6917 <param name="bin_count" value="30"/> | |
6918 <param name="min_required_elements" value="10"/> | |
6919 <param name="noise_for_empty_window" value="1e+20"/> | |
6920 <param name="write_log_messages" value="true"/> | |
6921 </section> | |
6922 </section> | |
6923 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
6924 <output name="ctd_out" ftype="xml"> | |
6925 <assert_contents> | |
6926 <is_valid_xml/> | |
6927 </assert_contents> | |
6928 </output> | |
6929 </test> | |
6930 <test expect_num_outputs="2"> | |
6931 <conditional name="adv_opts_cond"> | |
6932 <param name="adv_opts_selector" value="advanced"/> | |
6933 <param name="force" value="false"/> | |
6934 <param name="test" value="true"/> | |
6935 </conditional> | |
6936 <param name="in" value="FileFilter_18_input.consensusXML"/> | |
6937 <output name="out" file="FileFilter_19_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
6938 <param name="out_type" value="consensusxml"/> | |
6939 <param name="rt" value="3000:4000"/> | |
6940 <param name="mz" value="400:600"/> | |
6941 <param name="int" value=":"/> | |
6942 <param name="sort" value="false"/> | |
6943 <section name="peak_options"> | |
6944 <param name="sn" value="0.0"/> | |
6945 <param name="rm_pc_charge" value=""/> | |
6946 <param name="pc_mz_range" value=":"/> | |
6947 <param name="pc_mz_list" value=""/> | |
6948 <param name="level" value="1 2 3"/> | |
6949 <param name="sort_peaks" value="false"/> | |
6950 <param name="no_chromatograms" value="false"/> | |
6951 <param name="remove_chromatograms" value="false"/> | |
6952 <param name="remove_empty" value="false"/> | |
6953 <param name="mz_precision" value="64"/> | |
6954 <param name="int_precision" value="32"/> | |
6955 <param name="indexed_file" value="true"/> | |
6956 <param name="zlib_compression" value="false"/> | |
6957 <section name="numpress"> | |
6958 <param name="masstime" value="none"/> | |
6959 <param name="lossy_mass_accuracy" value="-1.0"/> | |
6960 <param name="intensity" value="none"/> | |
6961 <param name="float_da" value="none"/> | |
6962 </section> | |
6963 </section> | |
6964 <section name="spectra"> | |
6965 <param name="remove_zoom" value="false"/> | |
6966 <param name="remove_mode" value=""/> | |
6967 <param name="remove_activation" value=""/> | |
6968 <param name="remove_collision_energy" value=":"/> | |
6969 <param name="remove_isolation_window_width" value=":"/> | |
6970 <param name="select_zoom" value="false"/> | |
6971 <param name="select_mode" value=""/> | |
6972 <param name="select_activation" value=""/> | |
6973 <param name="select_collision_energy" value=":"/> | |
6974 <param name="select_isolation_window_width" value=":"/> | |
6975 <param name="select_polarity" value=""/> | |
6976 <section name="blackorwhitelist"> | |
6977 <param name="similarity_threshold" value="-1.0"/> | |
6978 <param name="rt" value="0.01"/> | |
6979 <param name="mz" value="0.01"/> | |
6980 <param name="use_ppm_tolerance" value="false"/> | |
6981 <param name="blacklist" value="true"/> | |
6982 </section> | |
6983 </section> | |
6984 <section name="feature"> | |
6985 <param name="q" value=":"/> | |
6986 </section> | |
6987 <section name="consensus"> | |
6988 <param name="map" value=""/> | |
6989 <param name="map_and" value="false"/> | |
6990 <section name="blackorwhitelist"> | |
6991 <param name="blacklist" value="true"/> | |
6992 <param name="maps" value=""/> | |
6993 <param name="rt" value="60.0"/> | |
6994 <param name="mz" value="0.01"/> | |
6995 <param name="use_ppm_tolerance" value="false"/> | |
6996 </section> | |
6997 </section> | |
6998 <section name="f_and_c"> | |
6999 <param name="charge" value=":"/> | |
7000 <param name="size" value=":"/> | |
7001 <param name="remove_meta" value=""/> | |
7002 </section> | |
7003 <section name="id"> | |
7004 <param name="remove_clashes" value="false"/> | |
7005 <param name="keep_best_score_id" value="false"/> | |
7006 <param name="sequences_whitelist" value=""/> | |
7007 <param name="sequence_comparison_method" value="substring"/> | |
7008 <param name="accessions_whitelist" value=""/> | |
7009 <param name="remove_annotated_features" value="false"/> | |
7010 <param name="remove_unannotated_features" value="true"/> | |
7011 <param name="remove_unassigned_ids" value="false"/> | |
7012 <param name="rt" value="0.1"/> | |
7013 <param name="mz" value="0.001"/> | |
7014 <param name="blacklist_imperfect" value="false"/> | |
7015 </section> | |
7016 <section name="algorithm"> | |
7017 <section name="SignalToNoise"> | |
7018 <param name="max_intensity" value="-1"/> | |
7019 <param name="auto_max_stdev_factor" value="3.0"/> | |
7020 <param name="auto_max_percentile" value="95"/> | |
7021 <param name="auto_mode" value="0"/> | |
7022 <param name="win_len" value="200.0"/> | |
7023 <param name="bin_count" value="30"/> | |
7024 <param name="min_required_elements" value="10"/> | |
7025 <param name="noise_for_empty_window" value="1e+20"/> | |
7026 <param name="write_log_messages" value="true"/> | |
7027 </section> | |
7028 </section> | |
7029 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7030 <output name="ctd_out" ftype="xml"> | |
7031 <assert_contents> | |
7032 <is_valid_xml/> | |
7033 </assert_contents> | |
7034 </output> | |
7035 </test> | |
7036 <test expect_num_outputs="2"> | |
7037 <conditional name="adv_opts_cond"> | |
7038 <param name="adv_opts_selector" value="advanced"/> | |
7039 <param name="force" value="false"/> | |
7040 <param name="test" value="true"/> | |
7041 </conditional> | |
7042 <param name="in" value="FileFilter_15_input.featureXML"/> | |
7043 <output name="out" file="FileFilter_20_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
7044 <param name="out_type" value="featurexml"/> | |
7045 <param name="rt" value=":"/> | |
7046 <param name="mz" value=":"/> | |
7047 <param name="int" value=":"/> | |
7048 <param name="sort" value="false"/> | |
7049 <section name="peak_options"> | |
7050 <param name="sn" value="0.0"/> | |
7051 <param name="rm_pc_charge" value=""/> | |
7052 <param name="pc_mz_range" value=":"/> | |
7053 <param name="pc_mz_list" value=""/> | |
7054 <param name="level" value="1 2 3"/> | |
7055 <param name="sort_peaks" value="false"/> | |
7056 <param name="no_chromatograms" value="false"/> | |
7057 <param name="remove_chromatograms" value="false"/> | |
7058 <param name="remove_empty" value="false"/> | |
7059 <param name="mz_precision" value="64"/> | |
7060 <param name="int_precision" value="32"/> | |
7061 <param name="indexed_file" value="true"/> | |
7062 <param name="zlib_compression" value="false"/> | |
7063 <section name="numpress"> | |
7064 <param name="masstime" value="none"/> | |
7065 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7066 <param name="intensity" value="none"/> | |
7067 <param name="float_da" value="none"/> | |
7068 </section> | |
7069 </section> | |
7070 <section name="spectra"> | |
7071 <param name="remove_zoom" value="false"/> | |
7072 <param name="remove_mode" value=""/> | |
7073 <param name="remove_activation" value=""/> | |
7074 <param name="remove_collision_energy" value=":"/> | |
7075 <param name="remove_isolation_window_width" value=":"/> | |
7076 <param name="select_zoom" value="false"/> | |
7077 <param name="select_mode" value=""/> | |
7078 <param name="select_activation" value=""/> | |
7079 <param name="select_collision_energy" value=":"/> | |
7080 <param name="select_isolation_window_width" value=":"/> | |
7081 <param name="select_polarity" value=""/> | |
7082 <section name="blackorwhitelist"> | |
7083 <param name="similarity_threshold" value="-1.0"/> | |
7084 <param name="rt" value="0.01"/> | |
7085 <param name="mz" value="0.01"/> | |
7086 <param name="use_ppm_tolerance" value="false"/> | |
7087 <param name="blacklist" value="true"/> | |
7088 </section> | |
7089 </section> | |
7090 <section name="feature"> | |
7091 <param name="q" value=":"/> | |
7092 </section> | |
7093 <section name="consensus"> | |
7094 <param name="map" value=""/> | |
7095 <param name="map_and" value="false"/> | |
7096 <section name="blackorwhitelist"> | |
7097 <param name="blacklist" value="true"/> | |
7098 <param name="maps" value=""/> | |
7099 <param name="rt" value="60.0"/> | |
7100 <param name="mz" value="0.01"/> | |
7101 <param name="use_ppm_tolerance" value="false"/> | |
7102 </section> | |
7103 </section> | |
7104 <section name="f_and_c"> | |
7105 <param name="charge" value=":"/> | |
7106 <param name="size" value=":"/> | |
7107 <param name="remove_meta" value=""/> | |
7108 </section> | |
7109 <section name="id"> | |
7110 <param name="remove_clashes" value="false"/> | |
7111 <param name="keep_best_score_id" value="false"/> | |
7112 <param name="sequences_whitelist" value=""/> | |
7113 <param name="sequence_comparison_method" value="substring"/> | |
7114 <param name="accessions_whitelist" value=""YDL217C""/> | |
7115 <param name="remove_annotated_features" value="false"/> | |
7116 <param name="remove_unannotated_features" value="false"/> | |
7117 <param name="remove_unassigned_ids" value="true"/> | |
7118 <param name="rt" value="0.1"/> | |
7119 <param name="mz" value="0.001"/> | |
7120 <param name="blacklist_imperfect" value="false"/> | |
7121 </section> | |
7122 <section name="algorithm"> | |
7123 <section name="SignalToNoise"> | |
7124 <param name="max_intensity" value="-1"/> | |
7125 <param name="auto_max_stdev_factor" value="3.0"/> | |
7126 <param name="auto_max_percentile" value="95"/> | |
7127 <param name="auto_mode" value="0"/> | |
7128 <param name="win_len" value="200.0"/> | |
7129 <param name="bin_count" value="30"/> | |
7130 <param name="min_required_elements" value="10"/> | |
7131 <param name="noise_for_empty_window" value="1e+20"/> | |
7132 <param name="write_log_messages" value="true"/> | |
7133 </section> | |
7134 </section> | |
7135 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7136 <output name="ctd_out" ftype="xml"> | |
7137 <assert_contents> | |
7138 <is_valid_xml/> | |
7139 </assert_contents> | |
7140 </output> | |
7141 </test> | |
7142 <test expect_num_outputs="2"> | |
7143 <conditional name="adv_opts_cond"> | |
7144 <param name="adv_opts_selector" value="advanced"/> | |
7145 <param name="force" value="false"/> | |
7146 <param name="test" value="true"/> | |
7147 </conditional> | |
7148 <param name="in" value="FileFilter_15_input.featureXML"/> | |
7149 <output name="out" file="FileFilter_21_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
7150 <param name="out_type" value="featurexml"/> | |
7151 <param name="rt" value=":"/> | |
7152 <param name="mz" value=":"/> | |
7153 <param name="int" value=":"/> | |
7154 <param name="sort" value="false"/> | |
7155 <section name="peak_options"> | |
7156 <param name="sn" value="0.0"/> | |
7157 <param name="rm_pc_charge" value=""/> | |
7158 <param name="pc_mz_range" value=":"/> | |
7159 <param name="pc_mz_list" value=""/> | |
7160 <param name="level" value="1 2 3"/> | |
7161 <param name="sort_peaks" value="false"/> | |
7162 <param name="no_chromatograms" value="false"/> | |
7163 <param name="remove_chromatograms" value="false"/> | |
7164 <param name="remove_empty" value="false"/> | |
7165 <param name="mz_precision" value="64"/> | |
7166 <param name="int_precision" value="32"/> | |
7167 <param name="indexed_file" value="true"/> | |
7168 <param name="zlib_compression" value="false"/> | |
7169 <section name="numpress"> | |
7170 <param name="masstime" value="none"/> | |
7171 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7172 <param name="intensity" value="none"/> | |
7173 <param name="float_da" value="none"/> | |
7174 </section> | |
7175 </section> | |
7176 <section name="spectra"> | |
7177 <param name="remove_zoom" value="false"/> | |
7178 <param name="remove_mode" value=""/> | |
7179 <param name="remove_activation" value=""/> | |
7180 <param name="remove_collision_energy" value=":"/> | |
7181 <param name="remove_isolation_window_width" value=":"/> | |
7182 <param name="select_zoom" value="false"/> | |
7183 <param name="select_mode" value=""/> | |
7184 <param name="select_activation" value=""/> | |
7185 <param name="select_collision_energy" value=":"/> | |
7186 <param name="select_isolation_window_width" value=":"/> | |
7187 <param name="select_polarity" value=""/> | |
7188 <section name="blackorwhitelist"> | |
7189 <param name="similarity_threshold" value="-1.0"/> | |
7190 <param name="rt" value="0.01"/> | |
7191 <param name="mz" value="0.01"/> | |
7192 <param name="use_ppm_tolerance" value="false"/> | |
7193 <param name="blacklist" value="true"/> | |
7194 </section> | |
7195 </section> | |
7196 <section name="feature"> | |
7197 <param name="q" value=":"/> | |
7198 </section> | |
7199 <section name="consensus"> | |
7200 <param name="map" value=""/> | |
7201 <param name="map_and" value="false"/> | |
7202 <section name="blackorwhitelist"> | |
7203 <param name="blacklist" value="true"/> | |
7204 <param name="maps" value=""/> | |
7205 <param name="rt" value="60.0"/> | |
7206 <param name="mz" value="0.01"/> | |
7207 <param name="use_ppm_tolerance" value="false"/> | |
7208 </section> | |
7209 </section> | |
7210 <section name="f_and_c"> | |
7211 <param name="charge" value=":"/> | |
7212 <param name="size" value=":"/> | |
7213 <param name="remove_meta" value=""/> | |
7214 </section> | |
7215 <section name="id"> | |
7216 <param name="remove_clashes" value="false"/> | |
7217 <param name="keep_best_score_id" value="true"/> | |
7218 <param name="sequences_whitelist" value=""/> | |
7219 <param name="sequence_comparison_method" value="substring"/> | |
7220 <param name="accessions_whitelist" value=""/> | |
7221 <param name="remove_annotated_features" value="false"/> | |
7222 <param name="remove_unannotated_features" value="true"/> | |
7223 <param name="remove_unassigned_ids" value="true"/> | |
7224 <param name="rt" value="0.1"/> | |
7225 <param name="mz" value="0.001"/> | |
7226 <param name="blacklist_imperfect" value="false"/> | |
7227 </section> | |
7228 <section name="algorithm"> | |
7229 <section name="SignalToNoise"> | |
7230 <param name="max_intensity" value="-1"/> | |
7231 <param name="auto_max_stdev_factor" value="3.0"/> | |
7232 <param name="auto_max_percentile" value="95"/> | |
7233 <param name="auto_mode" value="0"/> | |
7234 <param name="win_len" value="200.0"/> | |
7235 <param name="bin_count" value="30"/> | |
7236 <param name="min_required_elements" value="10"/> | |
7237 <param name="noise_for_empty_window" value="1e+20"/> | |
7238 <param name="write_log_messages" value="true"/> | |
7239 </section> | |
7240 </section> | |
7241 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7242 <output name="ctd_out" ftype="xml"> | |
7243 <assert_contents> | |
7244 <is_valid_xml/> | |
7245 </assert_contents> | |
7246 </output> | |
7247 </test> | |
7248 <test expect_num_outputs="2"> | |
7249 <conditional name="adv_opts_cond"> | |
7250 <param name="adv_opts_selector" value="advanced"/> | |
7251 <param name="force" value="false"/> | |
7252 <param name="test" value="true"/> | |
7253 </conditional> | |
7254 <param name="in" value="FileFilter_22_input.consensusXML"/> | |
7255 <output name="out" file="FileFilter_22_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
7256 <param name="out_type" value="consensusxml"/> | |
7257 <param name="rt" value=":"/> | |
7258 <param name="mz" value=":"/> | |
7259 <param name="int" value=":"/> | |
7260 <param name="sort" value="false"/> | |
7261 <section name="peak_options"> | |
7262 <param name="sn" value="0.0"/> | |
7263 <param name="rm_pc_charge" value=""/> | |
7264 <param name="pc_mz_range" value=":"/> | |
7265 <param name="pc_mz_list" value=""/> | |
7266 <param name="level" value="1 2 3"/> | |
7267 <param name="sort_peaks" value="false"/> | |
7268 <param name="no_chromatograms" value="false"/> | |
7269 <param name="remove_chromatograms" value="false"/> | |
7270 <param name="remove_empty" value="false"/> | |
7271 <param name="mz_precision" value="64"/> | |
7272 <param name="int_precision" value="32"/> | |
7273 <param name="indexed_file" value="true"/> | |
7274 <param name="zlib_compression" value="false"/> | |
7275 <section name="numpress"> | |
7276 <param name="masstime" value="none"/> | |
7277 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7278 <param name="intensity" value="none"/> | |
7279 <param name="float_da" value="none"/> | |
7280 </section> | |
7281 </section> | |
7282 <section name="spectra"> | |
7283 <param name="remove_zoom" value="false"/> | |
7284 <param name="remove_mode" value=""/> | |
7285 <param name="remove_activation" value=""/> | |
7286 <param name="remove_collision_energy" value=":"/> | |
7287 <param name="remove_isolation_window_width" value=":"/> | |
7288 <param name="select_zoom" value="false"/> | |
7289 <param name="select_mode" value=""/> | |
7290 <param name="select_activation" value=""/> | |
7291 <param name="select_collision_energy" value=":"/> | |
7292 <param name="select_isolation_window_width" value=":"/> | |
7293 <param name="select_polarity" value=""/> | |
7294 <section name="blackorwhitelist"> | |
7295 <param name="similarity_threshold" value="-1.0"/> | |
7296 <param name="rt" value="0.01"/> | |
7297 <param name="mz" value="0.01"/> | |
7298 <param name="use_ppm_tolerance" value="false"/> | |
7299 <param name="blacklist" value="true"/> | |
7300 </section> | |
7301 </section> | |
7302 <section name="feature"> | |
7303 <param name="q" value=":"/> | |
7304 </section> | |
7305 <section name="consensus"> | |
7306 <param name="map" value=""/> | |
7307 <param name="map_and" value="false"/> | |
7308 <section name="blackorwhitelist"> | |
7309 <param name="blacklist" value="true"/> | |
7310 <param name="maps" value=""/> | |
7311 <param name="rt" value="60.0"/> | |
7312 <param name="mz" value="0.01"/> | |
7313 <param name="use_ppm_tolerance" value="false"/> | |
7314 </section> | |
7315 </section> | |
7316 <section name="f_and_c"> | |
7317 <param name="charge" value=":"/> | |
7318 <param name="size" value=":"/> | |
7319 <param name="remove_meta" value=""distinct_charges" "gt" "1,2""/> | |
7320 </section> | |
7321 <section name="id"> | |
7322 <param name="remove_clashes" value="false"/> | |
7323 <param name="keep_best_score_id" value="false"/> | |
7324 <param name="sequences_whitelist" value=""/> | |
7325 <param name="sequence_comparison_method" value="substring"/> | |
7326 <param name="accessions_whitelist" value=""/> | |
7327 <param name="remove_annotated_features" value="false"/> | |
7328 <param name="remove_unannotated_features" value="false"/> | |
7329 <param name="remove_unassigned_ids" value="false"/> | |
7330 <param name="rt" value="0.1"/> | |
7331 <param name="mz" value="0.001"/> | |
7332 <param name="blacklist_imperfect" value="false"/> | |
7333 </section> | |
7334 <section name="algorithm"> | |
7335 <section name="SignalToNoise"> | |
7336 <param name="max_intensity" value="-1"/> | |
7337 <param name="auto_max_stdev_factor" value="3.0"/> | |
7338 <param name="auto_max_percentile" value="95"/> | |
7339 <param name="auto_mode" value="0"/> | |
7340 <param name="win_len" value="200.0"/> | |
7341 <param name="bin_count" value="30"/> | |
7342 <param name="min_required_elements" value="10"/> | |
7343 <param name="noise_for_empty_window" value="1e+20"/> | |
7344 <param name="write_log_messages" value="true"/> | |
7345 </section> | |
7346 </section> | |
7347 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7348 <output name="ctd_out" ftype="xml"> | |
7349 <assert_contents> | |
7350 <is_valid_xml/> | |
7351 </assert_contents> | |
7352 </output> | |
7353 </test> | |
7354 <test expect_num_outputs="2"> | |
7355 <conditional name="adv_opts_cond"> | |
7356 <param name="adv_opts_selector" value="advanced"/> | |
7357 <param name="force" value="false"/> | |
7358 <param name="test" value="true"/> | |
7359 </conditional> | |
7360 <param name="in" value="FileFilter_22_input.consensusXML"/> | |
7361 <output name="out" file="FileFilter_22_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
7362 <param name="out_type" value="consensusxml"/> | |
7363 <param name="rt" value=":"/> | |
7364 <param name="mz" value=":"/> | |
7365 <param name="int" value=":"/> | |
7366 <param name="sort" value="false"/> | |
7367 <section name="peak_options"> | |
7368 <param name="sn" value="0.0"/> | |
7369 <param name="rm_pc_charge" value=""/> | |
7370 <param name="pc_mz_range" value=":"/> | |
7371 <param name="pc_mz_list" value=""/> | |
7372 <param name="level" value="1 2 3"/> | |
7373 <param name="sort_peaks" value="false"/> | |
7374 <param name="no_chromatograms" value="false"/> | |
7375 <param name="remove_chromatograms" value="false"/> | |
7376 <param name="remove_empty" value="false"/> | |
7377 <param name="mz_precision" value="64"/> | |
7378 <param name="int_precision" value="32"/> | |
7379 <param name="indexed_file" value="true"/> | |
7380 <param name="zlib_compression" value="false"/> | |
7381 <section name="numpress"> | |
7382 <param name="masstime" value="none"/> | |
7383 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7384 <param name="intensity" value="none"/> | |
7385 <param name="float_da" value="none"/> | |
7386 </section> | |
7387 </section> | |
7388 <section name="spectra"> | |
7389 <param name="remove_zoom" value="false"/> | |
7390 <param name="remove_mode" value=""/> | |
7391 <param name="remove_activation" value=""/> | |
7392 <param name="remove_collision_energy" value=":"/> | |
7393 <param name="remove_isolation_window_width" value=":"/> | |
7394 <param name="select_zoom" value="false"/> | |
7395 <param name="select_mode" value=""/> | |
7396 <param name="select_activation" value=""/> | |
7397 <param name="select_collision_energy" value=":"/> | |
7398 <param name="select_isolation_window_width" value=":"/> | |
7399 <param name="select_polarity" value=""/> | |
7400 <section name="blackorwhitelist"> | |
7401 <param name="similarity_threshold" value="-1.0"/> | |
7402 <param name="rt" value="0.01"/> | |
7403 <param name="mz" value="0.01"/> | |
7404 <param name="use_ppm_tolerance" value="false"/> | |
7405 <param name="blacklist" value="true"/> | |
7406 </section> | |
7407 </section> | |
7408 <section name="feature"> | |
7409 <param name="q" value=":"/> | |
7410 </section> | |
7411 <section name="consensus"> | |
7412 <param name="map" value=""/> | |
7413 <param name="map_and" value="false"/> | |
7414 <section name="blackorwhitelist"> | |
7415 <param name="blacklist" value="true"/> | |
7416 <param name="maps" value=""/> | |
7417 <param name="rt" value="60.0"/> | |
7418 <param name="mz" value="0.01"/> | |
7419 <param name="use_ppm_tolerance" value="false"/> | |
7420 </section> | |
7421 </section> | |
7422 <section name="f_and_c"> | |
7423 <param name="charge" value=":"/> | |
7424 <param name="size" value=":"/> | |
7425 <param name="remove_meta" value=""distinct_charges_size" "gt" "2""/> | |
7426 </section> | |
7427 <section name="id"> | |
7428 <param name="remove_clashes" value="false"/> | |
7429 <param name="keep_best_score_id" value="false"/> | |
7430 <param name="sequences_whitelist" value=""/> | |
7431 <param name="sequence_comparison_method" value="substring"/> | |
7432 <param name="accessions_whitelist" value=""/> | |
7433 <param name="remove_annotated_features" value="false"/> | |
7434 <param name="remove_unannotated_features" value="false"/> | |
7435 <param name="remove_unassigned_ids" value="false"/> | |
7436 <param name="rt" value="0.1"/> | |
7437 <param name="mz" value="0.001"/> | |
7438 <param name="blacklist_imperfect" value="false"/> | |
7439 </section> | |
7440 <section name="algorithm"> | |
7441 <section name="SignalToNoise"> | |
7442 <param name="max_intensity" value="-1"/> | |
7443 <param name="auto_max_stdev_factor" value="3.0"/> | |
7444 <param name="auto_max_percentile" value="95"/> | |
7445 <param name="auto_mode" value="0"/> | |
7446 <param name="win_len" value="200.0"/> | |
7447 <param name="bin_count" value="30"/> | |
7448 <param name="min_required_elements" value="10"/> | |
7449 <param name="noise_for_empty_window" value="1e+20"/> | |
7450 <param name="write_log_messages" value="true"/> | |
7451 </section> | |
7452 </section> | |
7453 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7454 <output name="ctd_out" ftype="xml"> | |
7455 <assert_contents> | |
7456 <is_valid_xml/> | |
7457 </assert_contents> | |
7458 </output> | |
7459 </test> | |
7460 <test expect_num_outputs="2"> | |
7461 <conditional name="adv_opts_cond"> | |
7462 <param name="adv_opts_selector" value="advanced"/> | |
7463 <param name="force" value="false"/> | |
7464 <param name="test" value="true"/> | |
7465 </conditional> | |
7466 <param name="in" value="FileFilter_22_input.consensusXML"/> | |
7467 <output name="out" file="FileFilter_24_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
7468 <param name="out_type" value="consensusxml"/> | |
7469 <param name="rt" value=":"/> | |
7470 <param name="mz" value=":"/> | |
7471 <param name="int" value=":"/> | |
7472 <param name="sort" value="false"/> | |
7473 <section name="peak_options"> | |
7474 <param name="sn" value="0.0"/> | |
7475 <param name="rm_pc_charge" value=""/> | |
7476 <param name="pc_mz_range" value=":"/> | |
7477 <param name="pc_mz_list" value=""/> | |
7478 <param name="level" value="1 2 3"/> | |
7479 <param name="sort_peaks" value="false"/> | |
7480 <param name="no_chromatograms" value="false"/> | |
7481 <param name="remove_chromatograms" value="false"/> | |
7482 <param name="remove_empty" value="false"/> | |
7483 <param name="mz_precision" value="64"/> | |
7484 <param name="int_precision" value="32"/> | |
7485 <param name="indexed_file" value="true"/> | |
7486 <param name="zlib_compression" value="false"/> | |
7487 <section name="numpress"> | |
7488 <param name="masstime" value="none"/> | |
7489 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7490 <param name="intensity" value="none"/> | |
7491 <param name="float_da" value="none"/> | |
7492 </section> | |
7493 </section> | |
7494 <section name="spectra"> | |
7495 <param name="remove_zoom" value="false"/> | |
7496 <param name="remove_mode" value=""/> | |
7497 <param name="remove_activation" value=""/> | |
7498 <param name="remove_collision_energy" value=":"/> | |
7499 <param name="remove_isolation_window_width" value=":"/> | |
7500 <param name="select_zoom" value="false"/> | |
7501 <param name="select_mode" value=""/> | |
7502 <param name="select_activation" value=""/> | |
7503 <param name="select_collision_energy" value=":"/> | |
7504 <param name="select_isolation_window_width" value=":"/> | |
7505 <param name="select_polarity" value=""/> | |
7506 <section name="blackorwhitelist"> | |
7507 <param name="similarity_threshold" value="-1.0"/> | |
7508 <param name="rt" value="0.01"/> | |
7509 <param name="mz" value="0.01"/> | |
7510 <param name="use_ppm_tolerance" value="false"/> | |
7511 <param name="blacklist" value="true"/> | |
7512 </section> | |
7513 </section> | |
7514 <section name="feature"> | |
7515 <param name="q" value=":"/> | |
7516 </section> | |
7517 <section name="consensus"> | |
7518 <param name="map" value=""/> | |
7519 <param name="map_and" value="false"/> | |
7520 <section name="blackorwhitelist"> | |
7521 <param name="blacklist" value="true"/> | |
7522 <param name="maps" value=""/> | |
7523 <param name="rt" value="60.0"/> | |
7524 <param name="mz" value="0.01"/> | |
7525 <param name="use_ppm_tolerance" value="false"/> | |
7526 </section> | |
7527 </section> | |
7528 <section name="f_and_c"> | |
7529 <param name="charge" value=":"/> | |
7530 <param name="size" value=":"/> | |
7531 <param name="remove_meta" value=""DOESNOTEXIST" "lt" "whatever""/> | |
7532 </section> | |
7533 <section name="id"> | |
7534 <param name="remove_clashes" value="false"/> | |
7535 <param name="keep_best_score_id" value="false"/> | |
7536 <param name="sequences_whitelist" value=""/> | |
7537 <param name="sequence_comparison_method" value="substring"/> | |
7538 <param name="accessions_whitelist" value=""/> | |
7539 <param name="remove_annotated_features" value="false"/> | |
7540 <param name="remove_unannotated_features" value="false"/> | |
7541 <param name="remove_unassigned_ids" value="false"/> | |
7542 <param name="rt" value="0.1"/> | |
7543 <param name="mz" value="0.001"/> | |
7544 <param name="blacklist_imperfect" value="false"/> | |
7545 </section> | |
7546 <section name="algorithm"> | |
7547 <section name="SignalToNoise"> | |
7548 <param name="max_intensity" value="-1"/> | |
7549 <param name="auto_max_stdev_factor" value="3.0"/> | |
7550 <param name="auto_max_percentile" value="95"/> | |
7551 <param name="auto_mode" value="0"/> | |
7552 <param name="win_len" value="200.0"/> | |
7553 <param name="bin_count" value="30"/> | |
7554 <param name="min_required_elements" value="10"/> | |
7555 <param name="noise_for_empty_window" value="1e+20"/> | |
7556 <param name="write_log_messages" value="true"/> | |
7557 </section> | |
7558 </section> | |
7559 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7560 <output name="ctd_out" ftype="xml"> | |
7561 <assert_contents> | |
7562 <is_valid_xml/> | |
7563 </assert_contents> | |
7564 </output> | |
7565 </test> | |
7566 <test expect_num_outputs="2"> | |
7567 <conditional name="adv_opts_cond"> | |
7568 <param name="adv_opts_selector" value="advanced"/> | |
7569 <param name="force" value="false"/> | |
7570 <param name="test" value="true"/> | |
7571 </conditional> | |
7572 <param name="in" value="FileFilter_25_input.mzML.gz"/> | |
7573 <output name="out" file="FileFilter_25_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
7574 <param name="out_type" value="mzml"/> | |
7575 <param name="rt" value=":"/> | |
7576 <param name="mz" value=":"/> | |
7577 <param name="int" value=":"/> | |
7578 <param name="sort" value="false"/> | |
7579 <section name="peak_options"> | |
7580 <param name="sn" value="0.0"/> | |
7581 <param name="rm_pc_charge" value=""/> | |
7582 <param name="pc_mz_range" value=":"/> | |
7583 <param name="pc_mz_list" value=""/> | |
7584 <param name="level" value="1 2 3"/> | |
7585 <param name="sort_peaks" value="false"/> | |
7586 <param name="no_chromatograms" value="false"/> | |
7587 <param name="remove_chromatograms" value="false"/> | |
7588 <param name="remove_empty" value="false"/> | |
7589 <param name="mz_precision" value="64"/> | |
7590 <param name="int_precision" value="32"/> | |
7591 <param name="indexed_file" value="true"/> | |
7592 <param name="zlib_compression" value="false"/> | |
7593 <section name="numpress"> | |
7594 <param name="masstime" value="none"/> | |
7595 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7596 <param name="intensity" value="none"/> | |
7597 <param name="float_da" value="none"/> | |
7598 </section> | |
7599 </section> | |
7600 <section name="spectra"> | |
7601 <param name="remove_zoom" value="false"/> | |
7602 <param name="remove_mode" value=""/> | |
7603 <param name="remove_activation" value=""/> | |
7604 <param name="remove_collision_energy" value=":"/> | |
7605 <param name="remove_isolation_window_width" value=":"/> | |
7606 <param name="select_zoom" value="false"/> | |
7607 <param name="select_mode" value=""/> | |
7608 <param name="select_activation" value=""/> | |
7609 <param name="select_collision_energy" value=":"/> | |
7610 <param name="select_isolation_window_width" value=":"/> | |
7611 <param name="select_polarity" value=""/> | |
7612 <section name="blackorwhitelist"> | |
7613 <param name="similarity_threshold" value="-1.0"/> | |
7614 <param name="rt" value="0.01"/> | |
7615 <param name="mz" value="0.01"/> | |
7616 <param name="use_ppm_tolerance" value="false"/> | |
7617 <param name="blacklist" value="true"/> | |
7618 </section> | |
7619 </section> | |
7620 <section name="feature"> | |
7621 <param name="q" value=":"/> | |
7622 </section> | |
7623 <section name="consensus"> | |
7624 <param name="map" value=""/> | |
7625 <param name="map_and" value="false"/> | |
7626 <section name="blackorwhitelist"> | |
7627 <param name="blacklist" value="true"/> | |
7628 <param name="maps" value=""/> | |
7629 <param name="rt" value="60.0"/> | |
7630 <param name="mz" value="0.01"/> | |
7631 <param name="use_ppm_tolerance" value="false"/> | |
7632 </section> | |
7633 </section> | |
7634 <section name="f_and_c"> | |
7635 <param name="charge" value=":"/> | |
7636 <param name="size" value=":"/> | |
7637 <param name="remove_meta" value=""/> | |
7638 </section> | |
7639 <section name="id"> | |
7640 <param name="remove_clashes" value="false"/> | |
7641 <param name="keep_best_score_id" value="false"/> | |
7642 <param name="sequences_whitelist" value=""/> | |
7643 <param name="sequence_comparison_method" value="substring"/> | |
7644 <param name="accessions_whitelist" value=""/> | |
7645 <param name="remove_annotated_features" value="false"/> | |
7646 <param name="remove_unannotated_features" value="false"/> | |
7647 <param name="remove_unassigned_ids" value="false"/> | |
7648 <param name="blacklist" value="FileFilter_25_input.idXML"/> | |
7649 <param name="rt" value="1.0"/> | |
7650 <param name="mz" value="0.05"/> | |
7651 <param name="blacklist_imperfect" value="true"/> | |
7652 </section> | |
7653 <section name="algorithm"> | |
7654 <section name="SignalToNoise"> | |
7655 <param name="max_intensity" value="-1"/> | |
7656 <param name="auto_max_stdev_factor" value="3.0"/> | |
7657 <param name="auto_max_percentile" value="95"/> | |
7658 <param name="auto_mode" value="0"/> | |
7659 <param name="win_len" value="200.0"/> | |
7660 <param name="bin_count" value="30"/> | |
7661 <param name="min_required_elements" value="10"/> | |
7662 <param name="noise_for_empty_window" value="1e+20"/> | |
7663 <param name="write_log_messages" value="true"/> | |
7664 </section> | |
7665 </section> | |
7666 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7667 <output name="ctd_out" ftype="xml"> | |
7668 <assert_contents> | |
7669 <is_valid_xml/> | |
7670 </assert_contents> | |
7671 </output> | |
7672 </test> | |
7673 <test expect_num_outputs="2"> | |
7674 <conditional name="adv_opts_cond"> | |
7675 <param name="adv_opts_selector" value="advanced"/> | |
7676 <param name="force" value="false"/> | |
7677 <param name="test" value="true"/> | |
7678 </conditional> | |
7679 <param name="in" value="FileFilter_25_input.mzML.gz"/> | |
7680 <output name="out" file="FileFilter_25_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
7681 <param name="out_type" value="mzml"/> | |
7682 <param name="rt" value=":"/> | |
7683 <param name="mz" value=":"/> | |
7684 <param name="int" value=":"/> | |
7685 <param name="sort" value="false"/> | |
7686 <section name="peak_options"> | |
7687 <param name="sn" value="0.0"/> | |
7688 <param name="rm_pc_charge" value=""/> | |
7689 <param name="pc_mz_range" value=":"/> | |
7690 <param name="pc_mz_list" value=""/> | |
7691 <param name="level" value="1 2 3"/> | |
7692 <param name="sort_peaks" value="false"/> | |
7693 <param name="no_chromatograms" value="false"/> | |
7694 <param name="remove_chromatograms" value="false"/> | |
7695 <param name="remove_empty" value="false"/> | |
7696 <param name="mz_precision" value="64"/> | |
7697 <param name="int_precision" value="32"/> | |
7698 <param name="indexed_file" value="true"/> | |
7699 <param name="zlib_compression" value="false"/> | |
7700 <section name="numpress"> | |
7701 <param name="masstime" value="none"/> | |
7702 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7703 <param name="intensity" value="none"/> | |
7704 <param name="float_da" value="none"/> | |
7705 </section> | |
7706 </section> | |
7707 <section name="spectra"> | |
7708 <param name="remove_zoom" value="false"/> | |
7709 <param name="remove_mode" value=""/> | |
7710 <param name="remove_activation" value=""/> | |
7711 <param name="remove_collision_energy" value=":"/> | |
7712 <param name="remove_isolation_window_width" value=":"/> | |
7713 <param name="select_zoom" value="false"/> | |
7714 <param name="select_mode" value=""/> | |
7715 <param name="select_activation" value=""/> | |
7716 <param name="select_collision_energy" value=":"/> | |
7717 <param name="select_isolation_window_width" value=":"/> | |
7718 <param name="select_polarity" value=""/> | |
7719 <section name="blackorwhitelist"> | |
7720 <param name="similarity_threshold" value="-1.0"/> | |
7721 <param name="rt" value="0.01"/> | |
7722 <param name="mz" value="0.01"/> | |
7723 <param name="use_ppm_tolerance" value="false"/> | |
7724 <param name="blacklist" value="true"/> | |
7725 </section> | |
7726 </section> | |
7727 <section name="feature"> | |
7728 <param name="q" value=":"/> | |
7729 </section> | |
7730 <section name="consensus"> | |
7731 <param name="map" value=""/> | |
7732 <param name="map_and" value="false"/> | |
7733 <section name="blackorwhitelist"> | |
7734 <param name="blacklist" value="true"/> | |
7735 <param name="maps" value=""/> | |
7736 <param name="rt" value="60.0"/> | |
7737 <param name="mz" value="0.01"/> | |
7738 <param name="use_ppm_tolerance" value="false"/> | |
7739 </section> | |
7740 </section> | |
7741 <section name="f_and_c"> | |
7742 <param name="charge" value=":"/> | |
7743 <param name="size" value=":"/> | |
7744 <param name="remove_meta" value=""/> | |
7745 </section> | |
7746 <section name="id"> | |
7747 <param name="remove_clashes" value="false"/> | |
7748 <param name="keep_best_score_id" value="false"/> | |
7749 <param name="sequences_whitelist" value=""/> | |
7750 <param name="sequence_comparison_method" value="substring"/> | |
7751 <param name="accessions_whitelist" value=""/> | |
7752 <param name="remove_annotated_features" value="false"/> | |
7753 <param name="remove_unannotated_features" value="false"/> | |
7754 <param name="remove_unassigned_ids" value="false"/> | |
7755 <param name="blacklist" value="FileFilter_25_input.idXML"/> | |
7756 <param name="rt" value="0.1"/> | |
7757 <param name="mz" value="0.001"/> | |
7758 <param name="blacklist_imperfect" value="true"/> | |
7759 </section> | |
7760 <section name="algorithm"> | |
7761 <section name="SignalToNoise"> | |
7762 <param name="max_intensity" value="-1"/> | |
7763 <param name="auto_max_stdev_factor" value="3.0"/> | |
7764 <param name="auto_max_percentile" value="95"/> | |
7765 <param name="auto_mode" value="0"/> | |
7766 <param name="win_len" value="200.0"/> | |
7767 <param name="bin_count" value="30"/> | |
7768 <param name="min_required_elements" value="10"/> | |
7769 <param name="noise_for_empty_window" value="1e+20"/> | |
7770 <param name="write_log_messages" value="true"/> | |
7771 </section> | |
7772 </section> | |
7773 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7774 <output name="ctd_out" ftype="xml"> | |
7775 <assert_contents> | |
7776 <is_valid_xml/> | |
7777 </assert_contents> | |
7778 </output> | |
7779 </test> | |
7780 <test expect_num_outputs="2"> | |
7781 <conditional name="adv_opts_cond"> | |
7782 <param name="adv_opts_selector" value="advanced"/> | |
7783 <param name="force" value="false"/> | |
7784 <param name="test" value="true"/> | |
7785 </conditional> | |
7786 <param name="in" value="FileFilter_28_input.mzML.gz"/> | |
7787 <output name="out" file="FileFilter_28_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
7788 <param name="out_type" value="mzml"/> | |
7789 <param name="rt" value=":"/> | |
7790 <param name="mz" value=":"/> | |
7791 <param name="int" value=":"/> | |
7792 <param name="sort" value="false"/> | |
7793 <section name="peak_options"> | |
7794 <param name="sn" value="0.0"/> | |
7795 <param name="rm_pc_charge" value=""/> | |
7796 <param name="pc_mz_range" value="832:836"/> | |
7797 <param name="pc_mz_list" value=""/> | |
7798 <param name="level" value="2"/> | |
7799 <param name="sort_peaks" value="false"/> | |
7800 <param name="no_chromatograms" value="false"/> | |
7801 <param name="remove_chromatograms" value="false"/> | |
7802 <param name="remove_empty" value="false"/> | |
7803 <param name="mz_precision" value="64"/> | |
7804 <param name="int_precision" value="32"/> | |
7805 <param name="indexed_file" value="true"/> | |
7806 <param name="zlib_compression" value="false"/> | |
7807 <section name="numpress"> | |
7808 <param name="masstime" value="none"/> | |
7809 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7810 <param name="intensity" value="none"/> | |
7811 <param name="float_da" value="none"/> | |
7812 </section> | |
7813 </section> | |
7814 <section name="spectra"> | |
7815 <param name="remove_zoom" value="false"/> | |
7816 <param name="remove_mode" value=""/> | |
7817 <param name="remove_activation" value=""/> | |
7818 <param name="remove_collision_energy" value=":"/> | |
7819 <param name="remove_isolation_window_width" value=":"/> | |
7820 <param name="select_zoom" value="false"/> | |
7821 <param name="select_mode" value=""/> | |
7822 <param name="select_activation" value=""/> | |
7823 <param name="select_collision_energy" value=":"/> | |
7824 <param name="select_isolation_window_width" value=":"/> | |
7825 <param name="select_polarity" value=""/> | |
7826 <section name="blackorwhitelist"> | |
7827 <param name="similarity_threshold" value="-1.0"/> | |
7828 <param name="rt" value="0.01"/> | |
7829 <param name="mz" value="0.01"/> | |
7830 <param name="use_ppm_tolerance" value="false"/> | |
7831 <param name="blacklist" value="true"/> | |
7832 </section> | |
7833 </section> | |
7834 <section name="feature"> | |
7835 <param name="q" value=":"/> | |
7836 </section> | |
7837 <section name="consensus"> | |
7838 <param name="map" value=""/> | |
7839 <param name="map_and" value="false"/> | |
7840 <section name="blackorwhitelist"> | |
7841 <param name="blacklist" value="true"/> | |
7842 <param name="maps" value=""/> | |
7843 <param name="rt" value="60.0"/> | |
7844 <param name="mz" value="0.01"/> | |
7845 <param name="use_ppm_tolerance" value="false"/> | |
7846 </section> | |
7847 </section> | |
7848 <section name="f_and_c"> | |
7849 <param name="charge" value=":"/> | |
7850 <param name="size" value=":"/> | |
7851 <param name="remove_meta" value=""/> | |
7852 </section> | |
7853 <section name="id"> | |
7854 <param name="remove_clashes" value="false"/> | |
7855 <param name="keep_best_score_id" value="false"/> | |
7856 <param name="sequences_whitelist" value=""/> | |
7857 <param name="sequence_comparison_method" value="substring"/> | |
7858 <param name="accessions_whitelist" value=""/> | |
7859 <param name="remove_annotated_features" value="false"/> | |
7860 <param name="remove_unannotated_features" value="false"/> | |
7861 <param name="remove_unassigned_ids" value="false"/> | |
7862 <param name="rt" value="0.1"/> | |
7863 <param name="mz" value="0.001"/> | |
7864 <param name="blacklist_imperfect" value="false"/> | |
7865 </section> | |
7866 <section name="algorithm"> | |
7867 <section name="SignalToNoise"> | |
7868 <param name="max_intensity" value="-1"/> | |
7869 <param name="auto_max_stdev_factor" value="3.0"/> | |
7870 <param name="auto_max_percentile" value="95"/> | |
7871 <param name="auto_mode" value="0"/> | |
7872 <param name="win_len" value="200.0"/> | |
7873 <param name="bin_count" value="30"/> | |
7874 <param name="min_required_elements" value="10"/> | |
7875 <param name="noise_for_empty_window" value="1e+20"/> | |
7876 <param name="write_log_messages" value="true"/> | |
7877 </section> | |
7878 </section> | |
7879 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7880 <output name="ctd_out" ftype="xml"> | |
7881 <assert_contents> | |
7882 <is_valid_xml/> | |
7883 </assert_contents> | |
7884 </output> | |
7885 </test> | |
7886 <test expect_num_outputs="2"> | |
7887 <conditional name="adv_opts_cond"> | |
7888 <param name="adv_opts_selector" value="advanced"/> | |
7889 <param name="force" value="false"/> | |
7890 <param name="test" value="true"/> | |
7891 </conditional> | |
7892 <param name="in" value="FileFilter_28_input.mzML.gz"/> | |
7893 <output name="out" file="FileFilter_29_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
7894 <param name="out_type" value="mzml"/> | |
7895 <param name="rt" value=":"/> | |
7896 <param name="mz" value=":"/> | |
7897 <param name="int" value=":"/> | |
7898 <param name="sort" value="false"/> | |
7899 <section name="peak_options"> | |
7900 <param name="sn" value="0.0"/> | |
7901 <param name="rm_pc_charge" value=""/> | |
7902 <param name="pc_mz_range" value="832:836"/> | |
7903 <param name="pc_mz_list" value=""/> | |
7904 <param name="level" value="1 2"/> | |
7905 <param name="sort_peaks" value="false"/> | |
7906 <param name="no_chromatograms" value="false"/> | |
7907 <param name="remove_chromatograms" value="false"/> | |
7908 <param name="remove_empty" value="false"/> | |
7909 <param name="mz_precision" value="64"/> | |
7910 <param name="int_precision" value="32"/> | |
7911 <param name="indexed_file" value="true"/> | |
7912 <param name="zlib_compression" value="false"/> | |
7913 <section name="numpress"> | |
7914 <param name="masstime" value="none"/> | |
7915 <param name="lossy_mass_accuracy" value="-1.0"/> | |
7916 <param name="intensity" value="none"/> | |
7917 <param name="float_da" value="none"/> | |
7918 </section> | |
7919 </section> | |
7920 <section name="spectra"> | |
7921 <param name="remove_zoom" value="false"/> | |
7922 <param name="remove_mode" value=""/> | |
7923 <param name="remove_activation" value=""/> | |
7924 <param name="remove_collision_energy" value=":"/> | |
7925 <param name="remove_isolation_window_width" value=":"/> | |
7926 <param name="select_zoom" value="false"/> | |
7927 <param name="select_mode" value=""/> | |
7928 <param name="select_activation" value=""/> | |
7929 <param name="select_collision_energy" value=":"/> | |
7930 <param name="select_isolation_window_width" value=":"/> | |
7931 <param name="select_polarity" value=""/> | |
7932 <section name="blackorwhitelist"> | |
7933 <param name="similarity_threshold" value="-1.0"/> | |
7934 <param name="rt" value="0.01"/> | |
7935 <param name="mz" value="0.01"/> | |
7936 <param name="use_ppm_tolerance" value="false"/> | |
7937 <param name="blacklist" value="true"/> | |
7938 </section> | |
7939 </section> | |
7940 <section name="feature"> | |
7941 <param name="q" value=":"/> | |
7942 </section> | |
7943 <section name="consensus"> | |
7944 <param name="map" value=""/> | |
7945 <param name="map_and" value="false"/> | |
7946 <section name="blackorwhitelist"> | |
7947 <param name="blacklist" value="true"/> | |
7948 <param name="maps" value=""/> | |
7949 <param name="rt" value="60.0"/> | |
7950 <param name="mz" value="0.01"/> | |
7951 <param name="use_ppm_tolerance" value="false"/> | |
7952 </section> | |
7953 </section> | |
7954 <section name="f_and_c"> | |
7955 <param name="charge" value=":"/> | |
7956 <param name="size" value=":"/> | |
7957 <param name="remove_meta" value=""/> | |
7958 </section> | |
7959 <section name="id"> | |
7960 <param name="remove_clashes" value="false"/> | |
7961 <param name="keep_best_score_id" value="false"/> | |
7962 <param name="sequences_whitelist" value=""/> | |
7963 <param name="sequence_comparison_method" value="substring"/> | |
7964 <param name="accessions_whitelist" value=""/> | |
7965 <param name="remove_annotated_features" value="false"/> | |
7966 <param name="remove_unannotated_features" value="false"/> | |
7967 <param name="remove_unassigned_ids" value="false"/> | |
7968 <param name="rt" value="0.1"/> | |
7969 <param name="mz" value="0.001"/> | |
7970 <param name="blacklist_imperfect" value="false"/> | |
7971 </section> | |
7972 <section name="algorithm"> | |
7973 <section name="SignalToNoise"> | |
7974 <param name="max_intensity" value="-1"/> | |
7975 <param name="auto_max_stdev_factor" value="3.0"/> | |
7976 <param name="auto_max_percentile" value="95"/> | |
7977 <param name="auto_mode" value="0"/> | |
7978 <param name="win_len" value="200.0"/> | |
7979 <param name="bin_count" value="30"/> | |
7980 <param name="min_required_elements" value="10"/> | |
7981 <param name="noise_for_empty_window" value="1e+20"/> | |
7982 <param name="write_log_messages" value="true"/> | |
7983 </section> | |
7984 </section> | |
7985 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
7986 <output name="ctd_out" ftype="xml"> | |
7987 <assert_contents> | |
7988 <is_valid_xml/> | |
7989 </assert_contents> | |
7990 </output> | |
7991 </test> | |
7992 <test expect_num_outputs="2"> | |
7993 <conditional name="adv_opts_cond"> | |
7994 <param name="adv_opts_selector" value="advanced"/> | |
7995 <param name="force" value="false"/> | |
7996 <param name="test" value="true"/> | |
7997 </conditional> | |
7998 <param name="in" value="FileFilter_28_input.mzML.gz"/> | |
7999 <output name="out" file="FileFilter_30_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8000 <param name="out_type" value="mzml"/> | |
8001 <param name="rt" value=":"/> | |
8002 <param name="mz" value=":"/> | |
8003 <param name="int" value=":"/> | |
8004 <param name="sort" value="false"/> | |
8005 <section name="peak_options"> | |
8006 <param name="sn" value="0.0"/> | |
8007 <param name="rm_pc_charge" value=""/> | |
8008 <param name="pc_mz_range" value="832:836"/> | |
8009 <param name="pc_mz_list" value=""/> | |
8010 <param name="level" value="1 2"/> | |
8011 <param name="sort_peaks" value="false"/> | |
8012 <param name="no_chromatograms" value="false"/> | |
8013 <param name="remove_chromatograms" value="false"/> | |
8014 <param name="remove_empty" value="false"/> | |
8015 <param name="mz_precision" value="64"/> | |
8016 <param name="int_precision" value="32"/> | |
8017 <param name="indexed_file" value="true"/> | |
8018 <param name="zlib_compression" value="false"/> | |
8019 <section name="numpress"> | |
8020 <param name="masstime" value="none"/> | |
8021 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8022 <param name="intensity" value="none"/> | |
8023 <param name="float_da" value="none"/> | |
8024 </section> | |
8025 </section> | |
8026 <section name="spectra"> | |
8027 <param name="remove_zoom" value="false"/> | |
8028 <param name="remove_mode" value=""/> | |
8029 <param name="remove_activation" value=""/> | |
8030 <param name="remove_collision_energy" value=":"/> | |
8031 <param name="remove_isolation_window_width" value=":"/> | |
8032 <param name="select_zoom" value="false"/> | |
8033 <param name="select_mode" value=""/> | |
8034 <param name="select_activation" value=""/> | |
8035 <param name="select_collision_energy" value=":"/> | |
8036 <param name="select_isolation_window_width" value=":"/> | |
8037 <param name="select_polarity" value=""/> | |
8038 <section name="blackorwhitelist"> | |
8039 <param name="similarity_threshold" value="-1.0"/> | |
8040 <param name="rt" value="0.01"/> | |
8041 <param name="mz" value="0.01"/> | |
8042 <param name="use_ppm_tolerance" value="false"/> | |
8043 <param name="blacklist" value="true"/> | |
8044 </section> | |
8045 </section> | |
8046 <section name="feature"> | |
8047 <param name="q" value=":"/> | |
8048 </section> | |
8049 <section name="consensus"> | |
8050 <param name="map" value=""/> | |
8051 <param name="map_and" value="false"/> | |
8052 <section name="blackorwhitelist"> | |
8053 <param name="blacklist" value="true"/> | |
8054 <param name="maps" value=""/> | |
8055 <param name="rt" value="60.0"/> | |
8056 <param name="mz" value="0.01"/> | |
8057 <param name="use_ppm_tolerance" value="false"/> | |
8058 </section> | |
8059 </section> | |
8060 <section name="f_and_c"> | |
8061 <param name="charge" value=":"/> | |
8062 <param name="size" value=":"/> | |
8063 <param name="remove_meta" value=""/> | |
8064 </section> | |
8065 <section name="id"> | |
8066 <param name="remove_clashes" value="false"/> | |
8067 <param name="keep_best_score_id" value="false"/> | |
8068 <param name="sequences_whitelist" value=""/> | |
8069 <param name="sequence_comparison_method" value="substring"/> | |
8070 <param name="accessions_whitelist" value=""/> | |
8071 <param name="remove_annotated_features" value="false"/> | |
8072 <param name="remove_unannotated_features" value="false"/> | |
8073 <param name="remove_unassigned_ids" value="false"/> | |
8074 <param name="rt" value="0.1"/> | |
8075 <param name="mz" value="0.001"/> | |
8076 <param name="blacklist_imperfect" value="false"/> | |
8077 </section> | |
8078 <section name="algorithm"> | |
8079 <section name="SignalToNoise"> | |
8080 <param name="max_intensity" value="-1"/> | |
8081 <param name="auto_max_stdev_factor" value="3.0"/> | |
8082 <param name="auto_max_percentile" value="95"/> | |
8083 <param name="auto_mode" value="0"/> | |
8084 <param name="win_len" value="200.0"/> | |
8085 <param name="bin_count" value="30"/> | |
8086 <param name="min_required_elements" value="10"/> | |
8087 <param name="noise_for_empty_window" value="1e+20"/> | |
8088 <param name="write_log_messages" value="true"/> | |
8089 </section> | |
8090 </section> | |
8091 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8092 <output name="ctd_out" ftype="xml"> | |
8093 <assert_contents> | |
8094 <is_valid_xml/> | |
8095 </assert_contents> | |
8096 </output> | |
8097 </test> | |
8098 <test expect_num_outputs="2"> | |
8099 <conditional name="adv_opts_cond"> | |
8100 <param name="adv_opts_selector" value="advanced"/> | |
8101 <param name="force" value="false"/> | |
8102 <param name="test" value="true"/> | |
8103 </conditional> | |
8104 <param name="in" value="FileFilter_31_34_input.mzML"/> | |
8105 <output name="out" file="FileFilter_31_remove_collision_energy.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8106 <param name="out_type" value="mzml"/> | |
8107 <param name="rt" value=":"/> | |
8108 <param name="mz" value=":"/> | |
8109 <param name="int" value=":"/> | |
8110 <param name="sort" value="false"/> | |
8111 <section name="peak_options"> | |
8112 <param name="sn" value="0.0"/> | |
8113 <param name="rm_pc_charge" value=""/> | |
8114 <param name="pc_mz_range" value=":"/> | |
8115 <param name="pc_mz_list" value=""/> | |
8116 <param name="level" value="1 2 3"/> | |
8117 <param name="sort_peaks" value="false"/> | |
8118 <param name="no_chromatograms" value="false"/> | |
8119 <param name="remove_chromatograms" value="false"/> | |
8120 <param name="remove_empty" value="false"/> | |
8121 <param name="mz_precision" value="64"/> | |
8122 <param name="int_precision" value="32"/> | |
8123 <param name="indexed_file" value="true"/> | |
8124 <param name="zlib_compression" value="false"/> | |
8125 <section name="numpress"> | |
8126 <param name="masstime" value="none"/> | |
8127 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8128 <param name="intensity" value="none"/> | |
8129 <param name="float_da" value="none"/> | |
8130 </section> | |
8131 </section> | |
8132 <section name="spectra"> | |
8133 <param name="remove_zoom" value="false"/> | |
8134 <param name="remove_mode" value=""/> | |
8135 <param name="remove_activation" value=""/> | |
8136 <param name="remove_collision_energy" value=":"/> | |
8137 <param name="remove_isolation_window_width" value=":2"/> | |
8138 <param name="select_zoom" value="false"/> | |
8139 <param name="select_mode" value=""/> | |
8140 <param name="select_activation" value=""/> | |
8141 <param name="select_collision_energy" value=":"/> | |
8142 <param name="select_isolation_window_width" value=":"/> | |
8143 <param name="select_polarity" value=""/> | |
8144 <section name="blackorwhitelist"> | |
8145 <param name="similarity_threshold" value="-1.0"/> | |
8146 <param name="rt" value="0.01"/> | |
8147 <param name="mz" value="0.01"/> | |
8148 <param name="use_ppm_tolerance" value="false"/> | |
8149 <param name="blacklist" value="true"/> | |
8150 </section> | |
8151 </section> | |
8152 <section name="feature"> | |
8153 <param name="q" value=":"/> | |
8154 </section> | |
8155 <section name="consensus"> | |
8156 <param name="map" value=""/> | |
8157 <param name="map_and" value="false"/> | |
8158 <section name="blackorwhitelist"> | |
8159 <param name="blacklist" value="true"/> | |
8160 <param name="maps" value=""/> | |
8161 <param name="rt" value="60.0"/> | |
8162 <param name="mz" value="0.01"/> | |
8163 <param name="use_ppm_tolerance" value="false"/> | |
8164 </section> | |
8165 </section> | |
8166 <section name="f_and_c"> | |
8167 <param name="charge" value=":"/> | |
8168 <param name="size" value=":"/> | |
8169 <param name="remove_meta" value=""/> | |
8170 </section> | |
8171 <section name="id"> | |
8172 <param name="remove_clashes" value="false"/> | |
8173 <param name="keep_best_score_id" value="false"/> | |
8174 <param name="sequences_whitelist" value=""/> | |
8175 <param name="sequence_comparison_method" value="substring"/> | |
8176 <param name="accessions_whitelist" value=""/> | |
8177 <param name="remove_annotated_features" value="false"/> | |
8178 <param name="remove_unannotated_features" value="false"/> | |
8179 <param name="remove_unassigned_ids" value="false"/> | |
8180 <param name="rt" value="0.1"/> | |
8181 <param name="mz" value="0.001"/> | |
8182 <param name="blacklist_imperfect" value="false"/> | |
8183 </section> | |
8184 <section name="algorithm"> | |
8185 <section name="SignalToNoise"> | |
8186 <param name="max_intensity" value="-1"/> | |
8187 <param name="auto_max_stdev_factor" value="3.0"/> | |
8188 <param name="auto_max_percentile" value="95"/> | |
8189 <param name="auto_mode" value="0"/> | |
8190 <param name="win_len" value="200.0"/> | |
8191 <param name="bin_count" value="30"/> | |
8192 <param name="min_required_elements" value="10"/> | |
8193 <param name="noise_for_empty_window" value="1e+20"/> | |
8194 <param name="write_log_messages" value="true"/> | |
8195 </section> | |
8196 </section> | |
8197 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8198 <output name="ctd_out" ftype="xml"> | |
8199 <assert_contents> | |
8200 <is_valid_xml/> | |
8201 </assert_contents> | |
8202 </output> | |
8203 </test> | |
8204 <test expect_num_outputs="2"> | |
8205 <conditional name="adv_opts_cond"> | |
8206 <param name="adv_opts_selector" value="advanced"/> | |
8207 <param name="force" value="false"/> | |
8208 <param name="test" value="true"/> | |
8209 </conditional> | |
8210 <param name="in" value="FileFilter_31_34_input.mzML"/> | |
8211 <output name="out" file="FileFilter_32_select_collision_energy.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8212 <param name="out_type" value="mzml"/> | |
8213 <param name="rt" value=":"/> | |
8214 <param name="mz" value=":"/> | |
8215 <param name="int" value=":"/> | |
8216 <param name="sort" value="false"/> | |
8217 <section name="peak_options"> | |
8218 <param name="sn" value="0.0"/> | |
8219 <param name="rm_pc_charge" value=""/> | |
8220 <param name="pc_mz_range" value=":"/> | |
8221 <param name="pc_mz_list" value=""/> | |
8222 <param name="level" value="1 2 3"/> | |
8223 <param name="sort_peaks" value="false"/> | |
8224 <param name="no_chromatograms" value="false"/> | |
8225 <param name="remove_chromatograms" value="false"/> | |
8226 <param name="remove_empty" value="false"/> | |
8227 <param name="mz_precision" value="64"/> | |
8228 <param name="int_precision" value="32"/> | |
8229 <param name="indexed_file" value="true"/> | |
8230 <param name="zlib_compression" value="false"/> | |
8231 <section name="numpress"> | |
8232 <param name="masstime" value="none"/> | |
8233 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8234 <param name="intensity" value="none"/> | |
8235 <param name="float_da" value="none"/> | |
8236 </section> | |
8237 </section> | |
8238 <section name="spectra"> | |
8239 <param name="remove_zoom" value="false"/> | |
8240 <param name="remove_mode" value=""/> | |
8241 <param name="remove_activation" value=""/> | |
8242 <param name="remove_collision_energy" value=":"/> | |
8243 <param name="remove_isolation_window_width" value=":"/> | |
8244 <param name="select_zoom" value="false"/> | |
8245 <param name="select_mode" value=""/> | |
8246 <param name="select_activation" value=""/> | |
8247 <param name="select_collision_energy" value=":"/> | |
8248 <param name="select_isolation_window_width" value=":2"/> | |
8249 <param name="select_polarity" value=""/> | |
8250 <section name="blackorwhitelist"> | |
8251 <param name="similarity_threshold" value="-1.0"/> | |
8252 <param name="rt" value="0.01"/> | |
8253 <param name="mz" value="0.01"/> | |
8254 <param name="use_ppm_tolerance" value="false"/> | |
8255 <param name="blacklist" value="true"/> | |
8256 </section> | |
8257 </section> | |
8258 <section name="feature"> | |
8259 <param name="q" value=":"/> | |
8260 </section> | |
8261 <section name="consensus"> | |
8262 <param name="map" value=""/> | |
8263 <param name="map_and" value="false"/> | |
8264 <section name="blackorwhitelist"> | |
8265 <param name="blacklist" value="true"/> | |
8266 <param name="maps" value=""/> | |
8267 <param name="rt" value="60.0"/> | |
8268 <param name="mz" value="0.01"/> | |
8269 <param name="use_ppm_tolerance" value="false"/> | |
8270 </section> | |
8271 </section> | |
8272 <section name="f_and_c"> | |
8273 <param name="charge" value=":"/> | |
8274 <param name="size" value=":"/> | |
8275 <param name="remove_meta" value=""/> | |
8276 </section> | |
8277 <section name="id"> | |
8278 <param name="remove_clashes" value="false"/> | |
8279 <param name="keep_best_score_id" value="false"/> | |
8280 <param name="sequences_whitelist" value=""/> | |
8281 <param name="sequence_comparison_method" value="substring"/> | |
8282 <param name="accessions_whitelist" value=""/> | |
8283 <param name="remove_annotated_features" value="false"/> | |
8284 <param name="remove_unannotated_features" value="false"/> | |
8285 <param name="remove_unassigned_ids" value="false"/> | |
8286 <param name="rt" value="0.1"/> | |
8287 <param name="mz" value="0.001"/> | |
8288 <param name="blacklist_imperfect" value="false"/> | |
8289 </section> | |
8290 <section name="algorithm"> | |
8291 <section name="SignalToNoise"> | |
8292 <param name="max_intensity" value="-1"/> | |
8293 <param name="auto_max_stdev_factor" value="3.0"/> | |
8294 <param name="auto_max_percentile" value="95"/> | |
8295 <param name="auto_mode" value="0"/> | |
8296 <param name="win_len" value="200.0"/> | |
8297 <param name="bin_count" value="30"/> | |
8298 <param name="min_required_elements" value="10"/> | |
8299 <param name="noise_for_empty_window" value="1e+20"/> | |
8300 <param name="write_log_messages" value="true"/> | |
8301 </section> | |
8302 </section> | |
8303 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8304 <output name="ctd_out" ftype="xml"> | |
8305 <assert_contents> | |
8306 <is_valid_xml/> | |
8307 </assert_contents> | |
8308 </output> | |
8309 </test> | |
8310 <test expect_num_outputs="2"> | |
8311 <conditional name="adv_opts_cond"> | |
8312 <param name="adv_opts_selector" value="advanced"/> | |
8313 <param name="force" value="false"/> | |
8314 <param name="test" value="true"/> | |
8315 </conditional> | |
8316 <param name="in" value="FileFilter_31_34_input.mzML"/> | |
8317 <output name="out" file="FileFilter_33_remove_isolation_window.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8318 <param name="out_type" value="mzml"/> | |
8319 <param name="rt" value=":"/> | |
8320 <param name="mz" value=":"/> | |
8321 <param name="int" value=":"/> | |
8322 <param name="sort" value="false"/> | |
8323 <section name="peak_options"> | |
8324 <param name="sn" value="0.0"/> | |
8325 <param name="rm_pc_charge" value=""/> | |
8326 <param name="pc_mz_range" value=":"/> | |
8327 <param name="pc_mz_list" value=""/> | |
8328 <param name="level" value="1 2 3"/> | |
8329 <param name="sort_peaks" value="false"/> | |
8330 <param name="no_chromatograms" value="false"/> | |
8331 <param name="remove_chromatograms" value="false"/> | |
8332 <param name="remove_empty" value="false"/> | |
8333 <param name="mz_precision" value="64"/> | |
8334 <param name="int_precision" value="32"/> | |
8335 <param name="indexed_file" value="true"/> | |
8336 <param name="zlib_compression" value="false"/> | |
8337 <section name="numpress"> | |
8338 <param name="masstime" value="none"/> | |
8339 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8340 <param name="intensity" value="none"/> | |
8341 <param name="float_da" value="none"/> | |
8342 </section> | |
8343 </section> | |
8344 <section name="spectra"> | |
8345 <param name="remove_zoom" value="false"/> | |
8346 <param name="remove_mode" value=""/> | |
8347 <param name="remove_activation" value=""/> | |
8348 <param name="remove_collision_energy" value=":35"/> | |
8349 <param name="remove_isolation_window_width" value=":"/> | |
8350 <param name="select_zoom" value="false"/> | |
8351 <param name="select_mode" value=""/> | |
8352 <param name="select_activation" value=""/> | |
8353 <param name="select_collision_energy" value=":"/> | |
8354 <param name="select_isolation_window_width" value=":"/> | |
8355 <param name="select_polarity" value=""/> | |
8356 <section name="blackorwhitelist"> | |
8357 <param name="similarity_threshold" value="-1.0"/> | |
8358 <param name="rt" value="0.01"/> | |
8359 <param name="mz" value="0.01"/> | |
8360 <param name="use_ppm_tolerance" value="false"/> | |
8361 <param name="blacklist" value="true"/> | |
8362 </section> | |
8363 </section> | |
8364 <section name="feature"> | |
8365 <param name="q" value=":"/> | |
8366 </section> | |
8367 <section name="consensus"> | |
8368 <param name="map" value=""/> | |
8369 <param name="map_and" value="false"/> | |
8370 <section name="blackorwhitelist"> | |
8371 <param name="blacklist" value="true"/> | |
8372 <param name="maps" value=""/> | |
8373 <param name="rt" value="60.0"/> | |
8374 <param name="mz" value="0.01"/> | |
8375 <param name="use_ppm_tolerance" value="false"/> | |
8376 </section> | |
8377 </section> | |
8378 <section name="f_and_c"> | |
8379 <param name="charge" value=":"/> | |
8380 <param name="size" value=":"/> | |
8381 <param name="remove_meta" value=""/> | |
8382 </section> | |
8383 <section name="id"> | |
8384 <param name="remove_clashes" value="false"/> | |
8385 <param name="keep_best_score_id" value="false"/> | |
8386 <param name="sequences_whitelist" value=""/> | |
8387 <param name="sequence_comparison_method" value="substring"/> | |
8388 <param name="accessions_whitelist" value=""/> | |
8389 <param name="remove_annotated_features" value="false"/> | |
8390 <param name="remove_unannotated_features" value="false"/> | |
8391 <param name="remove_unassigned_ids" value="false"/> | |
8392 <param name="rt" value="0.1"/> | |
8393 <param name="mz" value="0.001"/> | |
8394 <param name="blacklist_imperfect" value="false"/> | |
8395 </section> | |
8396 <section name="algorithm"> | |
8397 <section name="SignalToNoise"> | |
8398 <param name="max_intensity" value="-1"/> | |
8399 <param name="auto_max_stdev_factor" value="3.0"/> | |
8400 <param name="auto_max_percentile" value="95"/> | |
8401 <param name="auto_mode" value="0"/> | |
8402 <param name="win_len" value="200.0"/> | |
8403 <param name="bin_count" value="30"/> | |
8404 <param name="min_required_elements" value="10"/> | |
8405 <param name="noise_for_empty_window" value="1e+20"/> | |
8406 <param name="write_log_messages" value="true"/> | |
8407 </section> | |
8408 </section> | |
8409 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8410 <output name="ctd_out" ftype="xml"> | |
8411 <assert_contents> | |
8412 <is_valid_xml/> | |
8413 </assert_contents> | |
8414 </output> | |
8415 </test> | |
8416 <test expect_num_outputs="2"> | |
8417 <conditional name="adv_opts_cond"> | |
8418 <param name="adv_opts_selector" value="advanced"/> | |
8419 <param name="force" value="false"/> | |
8420 <param name="test" value="true"/> | |
8421 </conditional> | |
8422 <param name="in" value="FileFilter_31_34_input.mzML"/> | |
8423 <output name="out" file="FileFilter_34_select_isolation_window.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8424 <param name="out_type" value="mzml"/> | |
8425 <param name="rt" value=":"/> | |
8426 <param name="mz" value=":"/> | |
8427 <param name="int" value=":"/> | |
8428 <param name="sort" value="false"/> | |
8429 <section name="peak_options"> | |
8430 <param name="sn" value="0.0"/> | |
8431 <param name="rm_pc_charge" value=""/> | |
8432 <param name="pc_mz_range" value=":"/> | |
8433 <param name="pc_mz_list" value=""/> | |
8434 <param name="level" value="1 2 3"/> | |
8435 <param name="sort_peaks" value="false"/> | |
8436 <param name="no_chromatograms" value="false"/> | |
8437 <param name="remove_chromatograms" value="false"/> | |
8438 <param name="remove_empty" value="false"/> | |
8439 <param name="mz_precision" value="64"/> | |
8440 <param name="int_precision" value="32"/> | |
8441 <param name="indexed_file" value="true"/> | |
8442 <param name="zlib_compression" value="false"/> | |
8443 <section name="numpress"> | |
8444 <param name="masstime" value="none"/> | |
8445 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8446 <param name="intensity" value="none"/> | |
8447 <param name="float_da" value="none"/> | |
8448 </section> | |
8449 </section> | |
8450 <section name="spectra"> | |
8451 <param name="remove_zoom" value="false"/> | |
8452 <param name="remove_mode" value=""/> | |
8453 <param name="remove_activation" value=""/> | |
8454 <param name="remove_collision_energy" value=":"/> | |
8455 <param name="remove_isolation_window_width" value=":"/> | |
8456 <param name="select_zoom" value="false"/> | |
8457 <param name="select_mode" value=""/> | |
8458 <param name="select_activation" value=""/> | |
8459 <param name="select_collision_energy" value=":35"/> | |
8460 <param name="select_isolation_window_width" value=":"/> | |
8461 <param name="select_polarity" value=""/> | |
8462 <section name="blackorwhitelist"> | |
8463 <param name="similarity_threshold" value="-1.0"/> | |
8464 <param name="rt" value="0.01"/> | |
8465 <param name="mz" value="0.01"/> | |
8466 <param name="use_ppm_tolerance" value="false"/> | |
8467 <param name="blacklist" value="true"/> | |
8468 </section> | |
8469 </section> | |
8470 <section name="feature"> | |
8471 <param name="q" value=":"/> | |
8472 </section> | |
8473 <section name="consensus"> | |
8474 <param name="map" value=""/> | |
8475 <param name="map_and" value="false"/> | |
8476 <section name="blackorwhitelist"> | |
8477 <param name="blacklist" value="true"/> | |
8478 <param name="maps" value=""/> | |
8479 <param name="rt" value="60.0"/> | |
8480 <param name="mz" value="0.01"/> | |
8481 <param name="use_ppm_tolerance" value="false"/> | |
8482 </section> | |
8483 </section> | |
8484 <section name="f_and_c"> | |
8485 <param name="charge" value=":"/> | |
8486 <param name="size" value=":"/> | |
8487 <param name="remove_meta" value=""/> | |
8488 </section> | |
8489 <section name="id"> | |
8490 <param name="remove_clashes" value="false"/> | |
8491 <param name="keep_best_score_id" value="false"/> | |
8492 <param name="sequences_whitelist" value=""/> | |
8493 <param name="sequence_comparison_method" value="substring"/> | |
8494 <param name="accessions_whitelist" value=""/> | |
8495 <param name="remove_annotated_features" value="false"/> | |
8496 <param name="remove_unannotated_features" value="false"/> | |
8497 <param name="remove_unassigned_ids" value="false"/> | |
8498 <param name="rt" value="0.1"/> | |
8499 <param name="mz" value="0.001"/> | |
8500 <param name="blacklist_imperfect" value="false"/> | |
8501 </section> | |
8502 <section name="algorithm"> | |
8503 <section name="SignalToNoise"> | |
8504 <param name="max_intensity" value="-1"/> | |
8505 <param name="auto_max_stdev_factor" value="3.0"/> | |
8506 <param name="auto_max_percentile" value="95"/> | |
8507 <param name="auto_mode" value="0"/> | |
8508 <param name="win_len" value="200.0"/> | |
8509 <param name="bin_count" value="30"/> | |
8510 <param name="min_required_elements" value="10"/> | |
8511 <param name="noise_for_empty_window" value="1e+20"/> | |
8512 <param name="write_log_messages" value="true"/> | |
8513 </section> | |
8514 </section> | |
8515 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8516 <output name="ctd_out" ftype="xml"> | |
8517 <assert_contents> | |
8518 <is_valid_xml/> | |
8519 </assert_contents> | |
8520 </output> | |
8521 </test> | |
8522 <test expect_num_outputs="2"> | |
8523 <conditional name="adv_opts_cond"> | |
8524 <param name="adv_opts_selector" value="advanced"/> | |
8525 <param name="force" value="false"/> | |
8526 <param name="test" value="true"/> | |
8527 </conditional> | |
8528 <param name="in" value="FileFilter_1_input.mzML"/> | |
8529 <output name="out" file="FileFilter_35_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8530 <param name="out_type" value="mzML"/> | |
8531 <param name="rt" value=":"/> | |
8532 <param name="mz" value=":"/> | |
8533 <param name="int" value=":"/> | |
8534 <param name="sort" value="false"/> | |
8535 <section name="peak_options"> | |
8536 <param name="sn" value="0.0"/> | |
8537 <param name="rm_pc_charge" value=""/> | |
8538 <param name="pc_mz_range" value=":"/> | |
8539 <param name="pc_mz_list" value=""/> | |
8540 <param name="level" value="1 2 3"/> | |
8541 <param name="sort_peaks" value="false"/> | |
8542 <param name="no_chromatograms" value="false"/> | |
8543 <param name="remove_chromatograms" value="false"/> | |
8544 <param name="remove_empty" value="false"/> | |
8545 <param name="mz_precision" value="64"/> | |
8546 <param name="int_precision" value="32"/> | |
8547 <param name="indexed_file" value="true"/> | |
8548 <param name="zlib_compression" value="false"/> | |
8549 <section name="numpress"> | |
8550 <param name="masstime" value="none"/> | |
8551 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8552 <param name="intensity" value="none"/> | |
8553 <param name="float_da" value="none"/> | |
8554 </section> | |
8555 </section> | |
8556 <section name="spectra"> | |
8557 <param name="remove_zoom" value="false"/> | |
8558 <param name="remove_mode" value=""/> | |
8559 <param name="remove_activation" value=""/> | |
8560 <param name="remove_collision_energy" value=":"/> | |
8561 <param name="remove_isolation_window_width" value=":"/> | |
8562 <param name="select_zoom" value="false"/> | |
8563 <param name="select_mode" value=""/> | |
8564 <param name="select_activation" value=""/> | |
8565 <param name="select_collision_energy" value=":"/> | |
8566 <param name="select_isolation_window_width" value=":"/> | |
8567 <param name="select_polarity" value=""/> | |
8568 <section name="blackorwhitelist"> | |
8569 <param name="similarity_threshold" value="-1.0"/> | |
8570 <param name="rt" value="0.01"/> | |
8571 <param name="mz" value="0.01"/> | |
8572 <param name="use_ppm_tolerance" value="false"/> | |
8573 <param name="blacklist" value="true"/> | |
8574 </section> | |
8575 </section> | |
8576 <section name="feature"> | |
8577 <param name="q" value=":"/> | |
8578 </section> | |
8579 <section name="consensus"> | |
8580 <param name="map" value=""/> | |
8581 <param name="map_and" value="false"/> | |
8582 <section name="blackorwhitelist"> | |
8583 <param name="blacklist" value="true"/> | |
8584 <param name="maps" value=""/> | |
8585 <param name="rt" value="60.0"/> | |
8586 <param name="mz" value="0.01"/> | |
8587 <param name="use_ppm_tolerance" value="false"/> | |
8588 </section> | |
8589 </section> | |
8590 <section name="f_and_c"> | |
8591 <param name="charge" value=":"/> | |
8592 <param name="size" value=":"/> | |
8593 <param name="remove_meta" value=""/> | |
8594 </section> | |
8595 <section name="id"> | |
8596 <param name="remove_clashes" value="false"/> | |
8597 <param name="keep_best_score_id" value="false"/> | |
8598 <param name="sequences_whitelist" value=""/> | |
8599 <param name="sequence_comparison_method" value="substring"/> | |
8600 <param name="accessions_whitelist" value=""/> | |
8601 <param name="remove_annotated_features" value="false"/> | |
8602 <param name="remove_unannotated_features" value="false"/> | |
8603 <param name="remove_unassigned_ids" value="false"/> | |
8604 <param name="rt" value="0.1"/> | |
8605 <param name="mz" value="0.001"/> | |
8606 <param name="blacklist_imperfect" value="false"/> | |
8607 </section> | |
8608 <section name="algorithm"> | |
8609 <section name="SignalToNoise"> | |
8610 <param name="max_intensity" value="-1"/> | |
8611 <param name="auto_max_stdev_factor" value="3.0"/> | |
8612 <param name="auto_max_percentile" value="95"/> | |
8613 <param name="auto_mode" value="0"/> | |
8614 <param name="win_len" value="200.0"/> | |
8615 <param name="bin_count" value="30"/> | |
8616 <param name="min_required_elements" value="10"/> | |
8617 <param name="noise_for_empty_window" value="1e+20"/> | |
8618 <param name="write_log_messages" value="true"/> | |
8619 </section> | |
8620 </section> | |
8621 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8622 <output name="ctd_out" ftype="xml"> | |
8623 <assert_contents> | |
8624 <is_valid_xml/> | |
8625 </assert_contents> | |
8626 </output> | |
8627 </test> | |
8628 <test expect_num_outputs="2"> | |
8629 <conditional name="adv_opts_cond"> | |
8630 <param name="adv_opts_selector" value="advanced"/> | |
8631 <param name="force" value="false"/> | |
8632 <param name="test" value="true"/> | |
8633 </conditional> | |
8634 <param name="in" value="FileFilter_1_input.mzML"/> | |
8635 <output name="out" file="FileFilter_36_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8636 <param name="out_type" value="mzML"/> | |
8637 <param name="rt" value=":"/> | |
8638 <param name="mz" value=":"/> | |
8639 <param name="int" value=":"/> | |
8640 <param name="sort" value="false"/> | |
8641 <section name="peak_options"> | |
8642 <param name="sn" value="0.0"/> | |
8643 <param name="rm_pc_charge" value=""/> | |
8644 <param name="pc_mz_range" value=":"/> | |
8645 <param name="pc_mz_list" value=""/> | |
8646 <param name="level" value="1 2 3"/> | |
8647 <param name="sort_peaks" value="false"/> | |
8648 <param name="no_chromatograms" value="false"/> | |
8649 <param name="remove_chromatograms" value="false"/> | |
8650 <param name="remove_empty" value="false"/> | |
8651 <param name="mz_precision" value="64"/> | |
8652 <param name="int_precision" value="32"/> | |
8653 <param name="indexed_file" value="false"/> | |
8654 <param name="zlib_compression" value="false"/> | |
8655 <section name="numpress"> | |
8656 <param name="masstime" value="none"/> | |
8657 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8658 <param name="intensity" value="none"/> | |
8659 <param name="float_da" value="none"/> | |
8660 </section> | |
8661 </section> | |
8662 <section name="spectra"> | |
8663 <param name="remove_zoom" value="false"/> | |
8664 <param name="remove_mode" value=""/> | |
8665 <param name="remove_activation" value=""/> | |
8666 <param name="remove_collision_energy" value=":"/> | |
8667 <param name="remove_isolation_window_width" value=":"/> | |
8668 <param name="select_zoom" value="false"/> | |
8669 <param name="select_mode" value=""/> | |
8670 <param name="select_activation" value=""/> | |
8671 <param name="select_collision_energy" value=":"/> | |
8672 <param name="select_isolation_window_width" value=":"/> | |
8673 <param name="select_polarity" value=""/> | |
8674 <section name="blackorwhitelist"> | |
8675 <param name="similarity_threshold" value="-1.0"/> | |
8676 <param name="rt" value="0.01"/> | |
8677 <param name="mz" value="0.01"/> | |
8678 <param name="use_ppm_tolerance" value="false"/> | |
8679 <param name="blacklist" value="true"/> | |
8680 </section> | |
8681 </section> | |
8682 <section name="feature"> | |
8683 <param name="q" value=":"/> | |
8684 </section> | |
8685 <section name="consensus"> | |
8686 <param name="map" value=""/> | |
8687 <param name="map_and" value="false"/> | |
8688 <section name="blackorwhitelist"> | |
8689 <param name="blacklist" value="true"/> | |
8690 <param name="maps" value=""/> | |
8691 <param name="rt" value="60.0"/> | |
8692 <param name="mz" value="0.01"/> | |
8693 <param name="use_ppm_tolerance" value="false"/> | |
8694 </section> | |
8695 </section> | |
8696 <section name="f_and_c"> | |
8697 <param name="charge" value=":"/> | |
8698 <param name="size" value=":"/> | |
8699 <param name="remove_meta" value=""/> | |
8700 </section> | |
8701 <section name="id"> | |
8702 <param name="remove_clashes" value="false"/> | |
8703 <param name="keep_best_score_id" value="false"/> | |
8704 <param name="sequences_whitelist" value=""/> | |
8705 <param name="sequence_comparison_method" value="substring"/> | |
8706 <param name="accessions_whitelist" value=""/> | |
8707 <param name="remove_annotated_features" value="false"/> | |
8708 <param name="remove_unannotated_features" value="false"/> | |
8709 <param name="remove_unassigned_ids" value="false"/> | |
8710 <param name="rt" value="0.1"/> | |
8711 <param name="mz" value="0.001"/> | |
8712 <param name="blacklist_imperfect" value="false"/> | |
8713 </section> | |
8714 <section name="algorithm"> | |
8715 <section name="SignalToNoise"> | |
8716 <param name="max_intensity" value="-1"/> | |
8717 <param name="auto_max_stdev_factor" value="3.0"/> | |
8718 <param name="auto_max_percentile" value="95"/> | |
8719 <param name="auto_mode" value="0"/> | |
8720 <param name="win_len" value="200.0"/> | |
8721 <param name="bin_count" value="30"/> | |
8722 <param name="min_required_elements" value="10"/> | |
8723 <param name="noise_for_empty_window" value="1e+20"/> | |
8724 <param name="write_log_messages" value="true"/> | |
8725 </section> | |
8726 </section> | |
8727 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8728 <output name="ctd_out" ftype="xml"> | |
8729 <assert_contents> | |
8730 <is_valid_xml/> | |
8731 </assert_contents> | |
8732 </output> | |
8733 </test> | |
8734 <test expect_num_outputs="2"> | |
8735 <conditional name="adv_opts_cond"> | |
8736 <param name="adv_opts_selector" value="advanced"/> | |
8737 <param name="force" value="false"/> | |
8738 <param name="test" value="true"/> | |
8739 </conditional> | |
8740 <param name="in" value="FileFilter_1_input.mzML"/> | |
8741 <output name="out" file="FileFilter_37_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8742 <param name="out_type" value="mzML"/> | |
8743 <param name="rt" value=":"/> | |
8744 <param name="mz" value=":"/> | |
8745 <param name="int" value=":"/> | |
8746 <param name="sort" value="false"/> | |
8747 <section name="peak_options"> | |
8748 <param name="sn" value="0.0"/> | |
8749 <param name="rm_pc_charge" value=""/> | |
8750 <param name="pc_mz_range" value=":"/> | |
8751 <param name="pc_mz_list" value=""/> | |
8752 <param name="level" value="1 2 3"/> | |
8753 <param name="sort_peaks" value="false"/> | |
8754 <param name="no_chromatograms" value="false"/> | |
8755 <param name="remove_chromatograms" value="false"/> | |
8756 <param name="remove_empty" value="false"/> | |
8757 <param name="mz_precision" value="64"/> | |
8758 <param name="int_precision" value="32"/> | |
8759 <param name="indexed_file" value="true"/> | |
8760 <param name="zlib_compression" value="false"/> | |
8761 <section name="numpress"> | |
8762 <param name="masstime" value="linear"/> | |
8763 <param name="lossy_mass_accuracy" value="0.0001"/> | |
8764 <param name="intensity" value="slof"/> | |
8765 <param name="float_da" value="none"/> | |
8766 </section> | |
8767 </section> | |
8768 <section name="spectra"> | |
8769 <param name="remove_zoom" value="false"/> | |
8770 <param name="remove_mode" value=""/> | |
8771 <param name="remove_activation" value=""/> | |
8772 <param name="remove_collision_energy" value=":"/> | |
8773 <param name="remove_isolation_window_width" value=":"/> | |
8774 <param name="select_zoom" value="false"/> | |
8775 <param name="select_mode" value=""/> | |
8776 <param name="select_activation" value=""/> | |
8777 <param name="select_collision_energy" value=":"/> | |
8778 <param name="select_isolation_window_width" value=":"/> | |
8779 <param name="select_polarity" value=""/> | |
8780 <section name="blackorwhitelist"> | |
8781 <param name="similarity_threshold" value="-1.0"/> | |
8782 <param name="rt" value="0.01"/> | |
8783 <param name="mz" value="0.01"/> | |
8784 <param name="use_ppm_tolerance" value="false"/> | |
8785 <param name="blacklist" value="true"/> | |
8786 </section> | |
8787 </section> | |
8788 <section name="feature"> | |
8789 <param name="q" value=":"/> | |
8790 </section> | |
8791 <section name="consensus"> | |
8792 <param name="map" value=""/> | |
8793 <param name="map_and" value="false"/> | |
8794 <section name="blackorwhitelist"> | |
8795 <param name="blacklist" value="true"/> | |
8796 <param name="maps" value=""/> | |
8797 <param name="rt" value="60.0"/> | |
8798 <param name="mz" value="0.01"/> | |
8799 <param name="use_ppm_tolerance" value="false"/> | |
8800 </section> | |
8801 </section> | |
8802 <section name="f_and_c"> | |
8803 <param name="charge" value=":"/> | |
8804 <param name="size" value=":"/> | |
8805 <param name="remove_meta" value=""/> | |
8806 </section> | |
8807 <section name="id"> | |
8808 <param name="remove_clashes" value="false"/> | |
8809 <param name="keep_best_score_id" value="false"/> | |
8810 <param name="sequences_whitelist" value=""/> | |
8811 <param name="sequence_comparison_method" value="substring"/> | |
8812 <param name="accessions_whitelist" value=""/> | |
8813 <param name="remove_annotated_features" value="false"/> | |
8814 <param name="remove_unannotated_features" value="false"/> | |
8815 <param name="remove_unassigned_ids" value="false"/> | |
8816 <param name="rt" value="0.1"/> | |
8817 <param name="mz" value="0.001"/> | |
8818 <param name="blacklist_imperfect" value="false"/> | |
8819 </section> | |
8820 <section name="algorithm"> | |
8821 <section name="SignalToNoise"> | |
8822 <param name="max_intensity" value="-1"/> | |
8823 <param name="auto_max_stdev_factor" value="3.0"/> | |
8824 <param name="auto_max_percentile" value="95"/> | |
8825 <param name="auto_mode" value="0"/> | |
8826 <param name="win_len" value="200.0"/> | |
8827 <param name="bin_count" value="30"/> | |
8828 <param name="min_required_elements" value="10"/> | |
8829 <param name="noise_for_empty_window" value="1e+20"/> | |
8830 <param name="write_log_messages" value="true"/> | |
8831 </section> | |
8832 </section> | |
8833 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8834 <output name="ctd_out" ftype="xml"> | |
8835 <assert_contents> | |
8836 <is_valid_xml/> | |
8837 </assert_contents> | |
8838 </output> | |
8839 </test> | |
8840 <test expect_num_outputs="2"> | |
8841 <conditional name="adv_opts_cond"> | |
8842 <param name="adv_opts_selector" value="advanced"/> | |
8843 <param name="force" value="false"/> | |
8844 <param name="test" value="true"/> | |
8845 </conditional> | |
8846 <param name="in" value="FileFilter_1_input.mzML"/> | |
8847 <output name="out" file="FileFilter_38_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8848 <param name="out_type" value="mzML"/> | |
8849 <param name="rt" value=":"/> | |
8850 <param name="mz" value=":"/> | |
8851 <param name="int" value=":"/> | |
8852 <param name="sort" value="false"/> | |
8853 <section name="peak_options"> | |
8854 <param name="sn" value="0.0"/> | |
8855 <param name="rm_pc_charge" value=""/> | |
8856 <param name="pc_mz_range" value=":"/> | |
8857 <param name="pc_mz_list" value=""/> | |
8858 <param name="level" value="1 2 3"/> | |
8859 <param name="sort_peaks" value="false"/> | |
8860 <param name="no_chromatograms" value="false"/> | |
8861 <param name="remove_chromatograms" value="false"/> | |
8862 <param name="remove_empty" value="false"/> | |
8863 <param name="mz_precision" value="64"/> | |
8864 <param name="int_precision" value="32"/> | |
8865 <param name="indexed_file" value="true"/> | |
8866 <param name="zlib_compression" value="false"/> | |
8867 <section name="numpress"> | |
8868 <param name="masstime" value="linear"/> | |
8869 <param name="lossy_mass_accuracy" value="0.0001"/> | |
8870 <param name="intensity" value="pic"/> | |
8871 <param name="float_da" value="none"/> | |
8872 </section> | |
8873 </section> | |
8874 <section name="spectra"> | |
8875 <param name="remove_zoom" value="false"/> | |
8876 <param name="remove_mode" value=""/> | |
8877 <param name="remove_activation" value=""/> | |
8878 <param name="remove_collision_energy" value=":"/> | |
8879 <param name="remove_isolation_window_width" value=":"/> | |
8880 <param name="select_zoom" value="false"/> | |
8881 <param name="select_mode" value=""/> | |
8882 <param name="select_activation" value=""/> | |
8883 <param name="select_collision_energy" value=":"/> | |
8884 <param name="select_isolation_window_width" value=":"/> | |
8885 <param name="select_polarity" value=""/> | |
8886 <section name="blackorwhitelist"> | |
8887 <param name="similarity_threshold" value="-1.0"/> | |
8888 <param name="rt" value="0.01"/> | |
8889 <param name="mz" value="0.01"/> | |
8890 <param name="use_ppm_tolerance" value="false"/> | |
8891 <param name="blacklist" value="true"/> | |
8892 </section> | |
8893 </section> | |
8894 <section name="feature"> | |
8895 <param name="q" value=":"/> | |
8896 </section> | |
8897 <section name="consensus"> | |
8898 <param name="map" value=""/> | |
8899 <param name="map_and" value="false"/> | |
8900 <section name="blackorwhitelist"> | |
8901 <param name="blacklist" value="true"/> | |
8902 <param name="maps" value=""/> | |
8903 <param name="rt" value="60.0"/> | |
8904 <param name="mz" value="0.01"/> | |
8905 <param name="use_ppm_tolerance" value="false"/> | |
8906 </section> | |
8907 </section> | |
8908 <section name="f_and_c"> | |
8909 <param name="charge" value=":"/> | |
8910 <param name="size" value=":"/> | |
8911 <param name="remove_meta" value=""/> | |
8912 </section> | |
8913 <section name="id"> | |
8914 <param name="remove_clashes" value="false"/> | |
8915 <param name="keep_best_score_id" value="false"/> | |
8916 <param name="sequences_whitelist" value=""/> | |
8917 <param name="sequence_comparison_method" value="substring"/> | |
8918 <param name="accessions_whitelist" value=""/> | |
8919 <param name="remove_annotated_features" value="false"/> | |
8920 <param name="remove_unannotated_features" value="false"/> | |
8921 <param name="remove_unassigned_ids" value="false"/> | |
8922 <param name="rt" value="0.1"/> | |
8923 <param name="mz" value="0.001"/> | |
8924 <param name="blacklist_imperfect" value="false"/> | |
8925 </section> | |
8926 <section name="algorithm"> | |
8927 <section name="SignalToNoise"> | |
8928 <param name="max_intensity" value="-1"/> | |
8929 <param name="auto_max_stdev_factor" value="3.0"/> | |
8930 <param name="auto_max_percentile" value="95"/> | |
8931 <param name="auto_mode" value="0"/> | |
8932 <param name="win_len" value="200.0"/> | |
8933 <param name="bin_count" value="30"/> | |
8934 <param name="min_required_elements" value="10"/> | |
8935 <param name="noise_for_empty_window" value="1e+20"/> | |
8936 <param name="write_log_messages" value="true"/> | |
8937 </section> | |
8938 </section> | |
8939 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
8940 <output name="ctd_out" ftype="xml"> | |
8941 <assert_contents> | |
8942 <is_valid_xml/> | |
8943 </assert_contents> | |
8944 </output> | |
8945 </test> | |
8946 <test expect_num_outputs="2"> | |
8947 <conditional name="adv_opts_cond"> | |
8948 <param name="adv_opts_selector" value="advanced"/> | |
8949 <param name="force" value="false"/> | |
8950 <param name="test" value="true"/> | |
8951 </conditional> | |
8952 <param name="in" value="FileFilter_40_input.mzML"/> | |
8953 <output name="out" file="FileFilter_40_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
8954 <param name="out_type" value="mzML"/> | |
8955 <param name="rt" value=":"/> | |
8956 <param name="mz" value=":"/> | |
8957 <param name="int" value=":"/> | |
8958 <param name="sort" value="false"/> | |
8959 <section name="peak_options"> | |
8960 <param name="sn" value="0.0"/> | |
8961 <param name="rm_pc_charge" value=""/> | |
8962 <param name="pc_mz_range" value=":"/> | |
8963 <param name="pc_mz_list" value=""/> | |
8964 <param name="level" value="1 2 3"/> | |
8965 <param name="sort_peaks" value="false"/> | |
8966 <param name="no_chromatograms" value="false"/> | |
8967 <param name="remove_chromatograms" value="false"/> | |
8968 <param name="remove_empty" value="false"/> | |
8969 <param name="mz_precision" value="64"/> | |
8970 <param name="int_precision" value="32"/> | |
8971 <param name="indexed_file" value="true"/> | |
8972 <param name="zlib_compression" value="false"/> | |
8973 <section name="numpress"> | |
8974 <param name="masstime" value="none"/> | |
8975 <param name="lossy_mass_accuracy" value="-1.0"/> | |
8976 <param name="intensity" value="none"/> | |
8977 <param name="float_da" value="none"/> | |
8978 </section> | |
8979 </section> | |
8980 <section name="spectra"> | |
8981 <param name="remove_zoom" value="false"/> | |
8982 <param name="remove_mode" value=""/> | |
8983 <param name="remove_activation" value=""/> | |
8984 <param name="remove_collision_energy" value=":"/> | |
8985 <param name="remove_isolation_window_width" value=":"/> | |
8986 <param name="select_zoom" value="false"/> | |
8987 <param name="select_mode" value=""/> | |
8988 <param name="select_activation" value=""/> | |
8989 <param name="select_collision_energy" value=":"/> | |
8990 <param name="select_isolation_window_width" value=":"/> | |
8991 <param name="select_polarity" value="positive"/> | |
8992 <section name="blackorwhitelist"> | |
8993 <param name="similarity_threshold" value="-1.0"/> | |
8994 <param name="rt" value="0.01"/> | |
8995 <param name="mz" value="0.01"/> | |
8996 <param name="use_ppm_tolerance" value="false"/> | |
8997 <param name="blacklist" value="true"/> | |
8998 </section> | |
8999 </section> | |
9000 <section name="feature"> | |
9001 <param name="q" value=":"/> | |
9002 </section> | |
9003 <section name="consensus"> | |
9004 <param name="map" value=""/> | |
9005 <param name="map_and" value="false"/> | |
9006 <section name="blackorwhitelist"> | |
9007 <param name="blacklist" value="true"/> | |
9008 <param name="maps" value=""/> | |
9009 <param name="rt" value="60.0"/> | |
9010 <param name="mz" value="0.01"/> | |
9011 <param name="use_ppm_tolerance" value="false"/> | |
9012 </section> | |
9013 </section> | |
9014 <section name="f_and_c"> | |
9015 <param name="charge" value=":"/> | |
9016 <param name="size" value=":"/> | |
9017 <param name="remove_meta" value=""/> | |
9018 </section> | |
9019 <section name="id"> | |
9020 <param name="remove_clashes" value="false"/> | |
9021 <param name="keep_best_score_id" value="false"/> | |
9022 <param name="sequences_whitelist" value=""/> | |
9023 <param name="sequence_comparison_method" value="substring"/> | |
9024 <param name="accessions_whitelist" value=""/> | |
9025 <param name="remove_annotated_features" value="false"/> | |
9026 <param name="remove_unannotated_features" value="false"/> | |
9027 <param name="remove_unassigned_ids" value="false"/> | |
9028 <param name="rt" value="0.1"/> | |
9029 <param name="mz" value="0.001"/> | |
9030 <param name="blacklist_imperfect" value="false"/> | |
9031 </section> | |
9032 <section name="algorithm"> | |
9033 <section name="SignalToNoise"> | |
9034 <param name="max_intensity" value="-1"/> | |
9035 <param name="auto_max_stdev_factor" value="3.0"/> | |
9036 <param name="auto_max_percentile" value="95"/> | |
9037 <param name="auto_mode" value="0"/> | |
9038 <param name="win_len" value="200.0"/> | |
9039 <param name="bin_count" value="30"/> | |
9040 <param name="min_required_elements" value="10"/> | |
9041 <param name="noise_for_empty_window" value="1e+20"/> | |
9042 <param name="write_log_messages" value="true"/> | |
9043 </section> | |
9044 </section> | |
9045 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9046 <output name="ctd_out" ftype="xml"> | |
9047 <assert_contents> | |
9048 <is_valid_xml/> | |
9049 </assert_contents> | |
9050 </output> | |
9051 </test> | |
9052 <test expect_num_outputs="2"> | |
9053 <conditional name="adv_opts_cond"> | |
9054 <param name="adv_opts_selector" value="advanced"/> | |
9055 <param name="force" value="false"/> | |
9056 <param name="test" value="true"/> | |
9057 </conditional> | |
9058 <param name="in" value="FileFilter_40_input.mzML"/> | |
9059 <output name="out" file="FileFilter_41_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9060 <param name="out_type" value="mzML"/> | |
9061 <param name="rt" value=":"/> | |
9062 <param name="mz" value=":"/> | |
9063 <param name="int" value=":"/> | |
9064 <param name="sort" value="false"/> | |
9065 <section name="peak_options"> | |
9066 <param name="sn" value="0.0"/> | |
9067 <param name="rm_pc_charge" value=""/> | |
9068 <param name="pc_mz_range" value=":"/> | |
9069 <param name="pc_mz_list" value=""/> | |
9070 <param name="level" value="1 2 3"/> | |
9071 <param name="sort_peaks" value="false"/> | |
9072 <param name="no_chromatograms" value="false"/> | |
9073 <param name="remove_chromatograms" value="false"/> | |
9074 <param name="remove_empty" value="false"/> | |
9075 <param name="mz_precision" value="64"/> | |
9076 <param name="int_precision" value="32"/> | |
9077 <param name="indexed_file" value="true"/> | |
9078 <param name="zlib_compression" value="false"/> | |
9079 <section name="numpress"> | |
9080 <param name="masstime" value="none"/> | |
9081 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9082 <param name="intensity" value="none"/> | |
9083 <param name="float_da" value="none"/> | |
9084 </section> | |
9085 </section> | |
9086 <section name="spectra"> | |
9087 <param name="remove_zoom" value="false"/> | |
9088 <param name="remove_mode" value=""/> | |
9089 <param name="remove_activation" value=""/> | |
9090 <param name="remove_collision_energy" value=":"/> | |
9091 <param name="remove_isolation_window_width" value=":"/> | |
9092 <param name="select_zoom" value="false"/> | |
9093 <param name="select_mode" value=""/> | |
9094 <param name="select_activation" value=""/> | |
9095 <param name="select_collision_energy" value=":"/> | |
9096 <param name="select_isolation_window_width" value=":"/> | |
9097 <param name="select_polarity" value="negative"/> | |
9098 <section name="blackorwhitelist"> | |
9099 <param name="similarity_threshold" value="-1.0"/> | |
9100 <param name="rt" value="0.01"/> | |
9101 <param name="mz" value="0.01"/> | |
9102 <param name="use_ppm_tolerance" value="false"/> | |
9103 <param name="blacklist" value="true"/> | |
9104 </section> | |
9105 </section> | |
9106 <section name="feature"> | |
9107 <param name="q" value=":"/> | |
9108 </section> | |
9109 <section name="consensus"> | |
9110 <param name="map" value=""/> | |
9111 <param name="map_and" value="false"/> | |
9112 <section name="blackorwhitelist"> | |
9113 <param name="blacklist" value="true"/> | |
9114 <param name="maps" value=""/> | |
9115 <param name="rt" value="60.0"/> | |
9116 <param name="mz" value="0.01"/> | |
9117 <param name="use_ppm_tolerance" value="false"/> | |
9118 </section> | |
9119 </section> | |
9120 <section name="f_and_c"> | |
9121 <param name="charge" value=":"/> | |
9122 <param name="size" value=":"/> | |
9123 <param name="remove_meta" value=""/> | |
9124 </section> | |
9125 <section name="id"> | |
9126 <param name="remove_clashes" value="false"/> | |
9127 <param name="keep_best_score_id" value="false"/> | |
9128 <param name="sequences_whitelist" value=""/> | |
9129 <param name="sequence_comparison_method" value="substring"/> | |
9130 <param name="accessions_whitelist" value=""/> | |
9131 <param name="remove_annotated_features" value="false"/> | |
9132 <param name="remove_unannotated_features" value="false"/> | |
9133 <param name="remove_unassigned_ids" value="false"/> | |
9134 <param name="rt" value="0.1"/> | |
9135 <param name="mz" value="0.001"/> | |
9136 <param name="blacklist_imperfect" value="false"/> | |
9137 </section> | |
9138 <section name="algorithm"> | |
9139 <section name="SignalToNoise"> | |
9140 <param name="max_intensity" value="-1"/> | |
9141 <param name="auto_max_stdev_factor" value="3.0"/> | |
9142 <param name="auto_max_percentile" value="95"/> | |
9143 <param name="auto_mode" value="0"/> | |
9144 <param name="win_len" value="200.0"/> | |
9145 <param name="bin_count" value="30"/> | |
9146 <param name="min_required_elements" value="10"/> | |
9147 <param name="noise_for_empty_window" value="1e+20"/> | |
9148 <param name="write_log_messages" value="true"/> | |
9149 </section> | |
9150 </section> | |
9151 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9152 <output name="ctd_out" ftype="xml"> | |
9153 <assert_contents> | |
9154 <is_valid_xml/> | |
9155 </assert_contents> | |
9156 </output> | |
9157 </test> | |
9158 <test expect_num_outputs="2"> | |
9159 <conditional name="adv_opts_cond"> | |
9160 <param name="adv_opts_selector" value="advanced"/> | |
9161 <param name="force" value="false"/> | |
9162 <param name="test" value="true"/> | |
9163 </conditional> | |
9164 <param name="in" value="FileFilter_40_input.mzML"/> | |
9165 <output name="out" file="FileFilter_42_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9166 <param name="out_type" value="mzML"/> | |
9167 <param name="rt" value=":"/> | |
9168 <param name="mz" value=":"/> | |
9169 <param name="int" value=":"/> | |
9170 <param name="sort" value="false"/> | |
9171 <section name="peak_options"> | |
9172 <param name="sn" value="0.0"/> | |
9173 <param name="rm_pc_charge" value=""/> | |
9174 <param name="pc_mz_range" value=":"/> | |
9175 <param name="pc_mz_list" value=""/> | |
9176 <param name="level" value="1 2 3"/> | |
9177 <param name="sort_peaks" value="false"/> | |
9178 <param name="no_chromatograms" value="false"/> | |
9179 <param name="remove_chromatograms" value="false"/> | |
9180 <param name="remove_empty" value="false"/> | |
9181 <param name="mz_precision" value="64"/> | |
9182 <param name="int_precision" value="32"/> | |
9183 <param name="indexed_file" value="true"/> | |
9184 <param name="zlib_compression" value="false"/> | |
9185 <section name="numpress"> | |
9186 <param name="masstime" value="none"/> | |
9187 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9188 <param name="intensity" value="none"/> | |
9189 <param name="float_da" value="none"/> | |
9190 </section> | |
9191 </section> | |
9192 <section name="spectra"> | |
9193 <param name="remove_zoom" value="false"/> | |
9194 <param name="remove_mode" value=""/> | |
9195 <param name="remove_activation" value=""/> | |
9196 <param name="remove_collision_energy" value=":"/> | |
9197 <param name="remove_isolation_window_width" value=":"/> | |
9198 <param name="select_zoom" value="false"/> | |
9199 <param name="select_mode" value=""/> | |
9200 <param name="select_activation" value=""/> | |
9201 <param name="select_collision_energy" value=":"/> | |
9202 <param name="select_isolation_window_width" value=":"/> | |
9203 <param name="select_polarity" value=""/> | |
9204 <section name="blackorwhitelist"> | |
9205 <param name="similarity_threshold" value="-1.0"/> | |
9206 <param name="rt" value="0.01"/> | |
9207 <param name="mz" value="0.01"/> | |
9208 <param name="use_ppm_tolerance" value="false"/> | |
9209 <param name="blacklist" value="true"/> | |
9210 </section> | |
9211 </section> | |
9212 <section name="feature"> | |
9213 <param name="q" value=":"/> | |
9214 </section> | |
9215 <section name="consensus"> | |
9216 <param name="map" value=""/> | |
9217 <param name="map_and" value="false"/> | |
9218 <section name="blackorwhitelist"> | |
9219 <param name="blacklist" value="true"/> | |
9220 <param name="maps" value=""/> | |
9221 <param name="rt" value="60.0"/> | |
9222 <param name="mz" value="0.01"/> | |
9223 <param name="use_ppm_tolerance" value="false"/> | |
9224 </section> | |
9225 </section> | |
9226 <section name="f_and_c"> | |
9227 <param name="charge" value=":"/> | |
9228 <param name="size" value=":"/> | |
9229 <param name="remove_meta" value=""/> | |
9230 </section> | |
9231 <section name="id"> | |
9232 <param name="remove_clashes" value="false"/> | |
9233 <param name="keep_best_score_id" value="false"/> | |
9234 <param name="sequences_whitelist" value=""/> | |
9235 <param name="sequence_comparison_method" value="substring"/> | |
9236 <param name="accessions_whitelist" value=""/> | |
9237 <param name="remove_annotated_features" value="false"/> | |
9238 <param name="remove_unannotated_features" value="false"/> | |
9239 <param name="remove_unassigned_ids" value="false"/> | |
9240 <param name="rt" value="0.1"/> | |
9241 <param name="mz" value="0.001"/> | |
9242 <param name="blacklist_imperfect" value="false"/> | |
9243 </section> | |
9244 <section name="algorithm"> | |
9245 <section name="SignalToNoise"> | |
9246 <param name="max_intensity" value="-1"/> | |
9247 <param name="auto_max_stdev_factor" value="3.0"/> | |
9248 <param name="auto_max_percentile" value="95"/> | |
9249 <param name="auto_mode" value="0"/> | |
9250 <param name="win_len" value="200.0"/> | |
9251 <param name="bin_count" value="30"/> | |
9252 <param name="min_required_elements" value="10"/> | |
9253 <param name="noise_for_empty_window" value="1e+20"/> | |
9254 <param name="write_log_messages" value="true"/> | |
9255 </section> | |
9256 </section> | |
9257 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9258 <output name="ctd_out" ftype="xml"> | |
9259 <assert_contents> | |
9260 <is_valid_xml/> | |
9261 </assert_contents> | |
9262 </output> | |
9263 </test> | |
9264 <test expect_num_outputs="2"> | |
9265 <conditional name="adv_opts_cond"> | |
9266 <param name="adv_opts_selector" value="advanced"/> | |
9267 <param name="force" value="false"/> | |
9268 <param name="test" value="true"/> | |
9269 </conditional> | |
9270 <param name="in" value="FileFilter_43_input.mzML"/> | |
9271 <output name="out" file="FileFilter_43.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9272 <param name="out_type" value="mzML"/> | |
9273 <param name="rt" value=":"/> | |
9274 <param name="mz" value=":"/> | |
9275 <param name="int" value=":"/> | |
9276 <param name="sort" value="false"/> | |
9277 <section name="peak_options"> | |
9278 <param name="sn" value="0.0"/> | |
9279 <param name="rm_pc_charge" value=""/> | |
9280 <param name="pc_mz_range" value=":"/> | |
9281 <param name="pc_mz_list" value=""/> | |
9282 <param name="level" value="1 2 3"/> | |
9283 <param name="sort_peaks" value="false"/> | |
9284 <param name="no_chromatograms" value="false"/> | |
9285 <param name="remove_chromatograms" value="false"/> | |
9286 <param name="remove_empty" value="false"/> | |
9287 <param name="mz_precision" value="64"/> | |
9288 <param name="int_precision" value="32"/> | |
9289 <param name="indexed_file" value="true"/> | |
9290 <param name="zlib_compression" value="false"/> | |
9291 <section name="numpress"> | |
9292 <param name="masstime" value="none"/> | |
9293 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9294 <param name="intensity" value="none"/> | |
9295 <param name="float_da" value="none"/> | |
9296 </section> | |
9297 </section> | |
9298 <section name="spectra"> | |
9299 <param name="remove_zoom" value="false"/> | |
9300 <param name="remove_mode" value=""/> | |
9301 <param name="remove_activation" value=""/> | |
9302 <param name="remove_collision_energy" value=":"/> | |
9303 <param name="remove_isolation_window_width" value=":"/> | |
9304 <param name="select_zoom" value="false"/> | |
9305 <param name="select_mode" value=""/> | |
9306 <param name="select_activation" value=""/> | |
9307 <param name="select_collision_energy" value=":"/> | |
9308 <param name="select_isolation_window_width" value=":"/> | |
9309 <param name="select_polarity" value=""/> | |
9310 <section name="blackorwhitelist"> | |
9311 <param name="similarity_threshold" value="-1.0"/> | |
9312 <param name="rt" value="0.01"/> | |
9313 <param name="mz" value="0.01"/> | |
9314 <param name="use_ppm_tolerance" value="false"/> | |
9315 <param name="blacklist" value="true"/> | |
9316 </section> | |
9317 </section> | |
9318 <section name="feature"> | |
9319 <param name="q" value=":"/> | |
9320 </section> | |
9321 <section name="consensus"> | |
9322 <param name="map" value=""/> | |
9323 <param name="map_and" value="false"/> | |
9324 <section name="blackorwhitelist"> | |
9325 <param name="blacklist" value="true"/> | |
9326 <param name="maps" value=""/> | |
9327 <param name="rt" value="60.0"/> | |
9328 <param name="mz" value="0.01"/> | |
9329 <param name="use_ppm_tolerance" value="false"/> | |
9330 </section> | |
9331 </section> | |
9332 <section name="f_and_c"> | |
9333 <param name="charge" value=":"/> | |
9334 <param name="size" value=":"/> | |
9335 <param name="remove_meta" value=""/> | |
9336 </section> | |
9337 <section name="id"> | |
9338 <param name="remove_clashes" value="false"/> | |
9339 <param name="keep_best_score_id" value="false"/> | |
9340 <param name="sequences_whitelist" value=""/> | |
9341 <param name="sequence_comparison_method" value="substring"/> | |
9342 <param name="accessions_whitelist" value=""/> | |
9343 <param name="remove_annotated_features" value="false"/> | |
9344 <param name="remove_unannotated_features" value="false"/> | |
9345 <param name="remove_unassigned_ids" value="false"/> | |
9346 <param name="rt" value="0.1"/> | |
9347 <param name="mz" value="0.001"/> | |
9348 <param name="blacklist_imperfect" value="false"/> | |
9349 </section> | |
9350 <section name="algorithm"> | |
9351 <section name="SignalToNoise"> | |
9352 <param name="max_intensity" value="-1"/> | |
9353 <param name="auto_max_stdev_factor" value="3.0"/> | |
9354 <param name="auto_max_percentile" value="95"/> | |
9355 <param name="auto_mode" value="0"/> | |
9356 <param name="win_len" value="200.0"/> | |
9357 <param name="bin_count" value="30"/> | |
9358 <param name="min_required_elements" value="10"/> | |
9359 <param name="noise_for_empty_window" value="1e+20"/> | |
9360 <param name="write_log_messages" value="true"/> | |
9361 </section> | |
9362 </section> | |
9363 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9364 <output name="ctd_out" ftype="xml"> | |
9365 <assert_contents> | |
9366 <is_valid_xml/> | |
9367 </assert_contents> | |
9368 </output> | |
9369 </test> | |
9370 <test expect_num_outputs="2"> | |
9371 <conditional name="adv_opts_cond"> | |
9372 <param name="adv_opts_selector" value="advanced"/> | |
9373 <param name="force" value="false"/> | |
9374 <param name="test" value="true"/> | |
9375 </conditional> | |
9376 <param name="in" value="FileFilter_43.tmp.mzML"/> | |
9377 <output name="out" file="FileFilter_43.dummy.tmp" compare="sim_size" delta="5700"/> | |
9378 <param name="out_type" value="mzML"/> | |
9379 <param name="rt" value=":"/> | |
9380 <param name="mz" value=":"/> | |
9381 <param name="int" value=":"/> | |
9382 <param name="sort" value="false"/> | |
9383 <section name="peak_options"> | |
9384 <param name="sn" value="0.0"/> | |
9385 <param name="rm_pc_charge" value=""/> | |
9386 <param name="pc_mz_range" value=":"/> | |
9387 <param name="pc_mz_list" value=""/> | |
9388 <param name="level" value="1 2 3"/> | |
9389 <param name="sort_peaks" value="false"/> | |
9390 <param name="no_chromatograms" value="false"/> | |
9391 <param name="remove_chromatograms" value="false"/> | |
9392 <param name="remove_empty" value="false"/> | |
9393 <param name="mz_precision" value="64"/> | |
9394 <param name="int_precision" value="32"/> | |
9395 <param name="indexed_file" value="true"/> | |
9396 <param name="zlib_compression" value="false"/> | |
9397 <section name="numpress"> | |
9398 <param name="masstime" value="none"/> | |
9399 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9400 <param name="intensity" value="none"/> | |
9401 <param name="float_da" value="none"/> | |
9402 </section> | |
9403 </section> | |
9404 <section name="spectra"> | |
9405 <param name="remove_zoom" value="false"/> | |
9406 <param name="remove_mode" value=""/> | |
9407 <param name="remove_activation" value=""/> | |
9408 <param name="remove_collision_energy" value=":"/> | |
9409 <param name="remove_isolation_window_width" value=":"/> | |
9410 <param name="select_zoom" value="false"/> | |
9411 <param name="select_mode" value=""/> | |
9412 <param name="select_activation" value=""/> | |
9413 <param name="select_collision_energy" value=":"/> | |
9414 <param name="select_isolation_window_width" value=":"/> | |
9415 <param name="select_polarity" value=""/> | |
9416 <section name="blackorwhitelist"> | |
9417 <param name="similarity_threshold" value="-1.0"/> | |
9418 <param name="rt" value="0.01"/> | |
9419 <param name="mz" value="0.01"/> | |
9420 <param name="use_ppm_tolerance" value="false"/> | |
9421 <param name="blacklist" value="true"/> | |
9422 </section> | |
9423 </section> | |
9424 <section name="feature"> | |
9425 <param name="q" value=":"/> | |
9426 </section> | |
9427 <section name="consensus"> | |
9428 <param name="map" value=""/> | |
9429 <param name="map_and" value="false"/> | |
9430 <section name="blackorwhitelist"> | |
9431 <param name="blacklist" value="true"/> | |
9432 <param name="maps" value=""/> | |
9433 <param name="rt" value="60.0"/> | |
9434 <param name="mz" value="0.01"/> | |
9435 <param name="use_ppm_tolerance" value="false"/> | |
9436 </section> | |
9437 </section> | |
9438 <section name="f_and_c"> | |
9439 <param name="charge" value=":"/> | |
9440 <param name="size" value=":"/> | |
9441 <param name="remove_meta" value=""/> | |
9442 </section> | |
9443 <section name="id"> | |
9444 <param name="remove_clashes" value="false"/> | |
9445 <param name="keep_best_score_id" value="false"/> | |
9446 <param name="sequences_whitelist" value=""/> | |
9447 <param name="sequence_comparison_method" value="substring"/> | |
9448 <param name="accessions_whitelist" value=""/> | |
9449 <param name="remove_annotated_features" value="false"/> | |
9450 <param name="remove_unannotated_features" value="false"/> | |
9451 <param name="remove_unassigned_ids" value="false"/> | |
9452 <param name="rt" value="0.1"/> | |
9453 <param name="mz" value="0.001"/> | |
9454 <param name="blacklist_imperfect" value="false"/> | |
9455 </section> | |
9456 <section name="algorithm"> | |
9457 <section name="SignalToNoise"> | |
9458 <param name="max_intensity" value="-1"/> | |
9459 <param name="auto_max_stdev_factor" value="3.0"/> | |
9460 <param name="auto_max_percentile" value="95"/> | |
9461 <param name="auto_mode" value="0"/> | |
9462 <param name="win_len" value="200.0"/> | |
9463 <param name="bin_count" value="30"/> | |
9464 <param name="min_required_elements" value="10"/> | |
9465 <param name="noise_for_empty_window" value="1e+20"/> | |
9466 <param name="write_log_messages" value="true"/> | |
9467 </section> | |
9468 </section> | |
9469 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9470 <output name="ctd_out" ftype="xml"> | |
9471 <assert_contents> | |
9472 <is_valid_xml/> | |
9473 </assert_contents> | |
9474 </output> | |
9475 </test> | |
9476 <test expect_num_outputs="2"> | |
9477 <conditional name="adv_opts_cond"> | |
9478 <param name="adv_opts_selector" value="advanced"/> | |
9479 <param name="force" value="false"/> | |
9480 <param name="test" value="true"/> | |
9481 </conditional> | |
9482 <param name="in" value="FileFilter_44_input.mzML"/> | |
9483 <output name="out" file="FileFilter_44_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9484 <param name="out_type" value="mzML"/> | |
9485 <param name="rt" value=":"/> | |
9486 <param name="mz" value=":"/> | |
9487 <param name="int" value=":"/> | |
9488 <param name="sort" value="false"/> | |
9489 <section name="peak_options"> | |
9490 <param name="sn" value="0.0"/> | |
9491 <param name="rm_pc_charge" value=""/> | |
9492 <param name="pc_mz_range" value=":"/> | |
9493 <param name="pc_mz_list" value=""/> | |
9494 <param name="level" value="1 2 3"/> | |
9495 <param name="sort_peaks" value="false"/> | |
9496 <param name="no_chromatograms" value="false"/> | |
9497 <param name="remove_chromatograms" value="false"/> | |
9498 <param name="remove_empty" value="false"/> | |
9499 <param name="mz_precision" value="64"/> | |
9500 <param name="int_precision" value="32"/> | |
9501 <param name="indexed_file" value="true"/> | |
9502 <param name="zlib_compression" value="false"/> | |
9503 <section name="numpress"> | |
9504 <param name="masstime" value="none"/> | |
9505 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9506 <param name="intensity" value="none"/> | |
9507 <param name="float_da" value="none"/> | |
9508 </section> | |
9509 </section> | |
9510 <section name="spectra"> | |
9511 <param name="remove_zoom" value="false"/> | |
9512 <param name="remove_mode" value=""/> | |
9513 <param name="remove_activation" value=""/> | |
9514 <param name="remove_collision_energy" value=":"/> | |
9515 <param name="remove_isolation_window_width" value=":"/> | |
9516 <param name="select_zoom" value="false"/> | |
9517 <param name="select_mode" value=""/> | |
9518 <param name="select_activation" value=""/> | |
9519 <param name="select_collision_energy" value=":"/> | |
9520 <param name="select_isolation_window_width" value=":"/> | |
9521 <param name="select_polarity" value=""/> | |
9522 <section name="blackorwhitelist"> | |
9523 <param name="similarity_threshold" value="-1.0"/> | |
9524 <param name="rt" value="0.01"/> | |
9525 <param name="mz" value="0.01"/> | |
9526 <param name="use_ppm_tolerance" value="false"/> | |
9527 <param name="blacklist" value="true"/> | |
9528 </section> | |
9529 </section> | |
9530 <section name="feature"> | |
9531 <param name="q" value=":"/> | |
9532 </section> | |
9533 <section name="consensus"> | |
9534 <param name="map" value=""/> | |
9535 <param name="map_and" value="false"/> | |
9536 <section name="blackorwhitelist"> | |
9537 <param name="blacklist" value="true"/> | |
9538 <param name="maps" value=""/> | |
9539 <param name="rt" value="60.0"/> | |
9540 <param name="mz" value="0.01"/> | |
9541 <param name="use_ppm_tolerance" value="false"/> | |
9542 </section> | |
9543 </section> | |
9544 <section name="f_and_c"> | |
9545 <param name="charge" value=":"/> | |
9546 <param name="size" value=":"/> | |
9547 <param name="remove_meta" value=""/> | |
9548 </section> | |
9549 <section name="id"> | |
9550 <param name="remove_clashes" value="false"/> | |
9551 <param name="keep_best_score_id" value="false"/> | |
9552 <param name="sequences_whitelist" value=""/> | |
9553 <param name="sequence_comparison_method" value="substring"/> | |
9554 <param name="accessions_whitelist" value=""/> | |
9555 <param name="remove_annotated_features" value="false"/> | |
9556 <param name="remove_unannotated_features" value="false"/> | |
9557 <param name="remove_unassigned_ids" value="false"/> | |
9558 <param name="rt" value="0.1"/> | |
9559 <param name="mz" value="0.001"/> | |
9560 <param name="blacklist_imperfect" value="false"/> | |
9561 </section> | |
9562 <section name="algorithm"> | |
9563 <section name="SignalToNoise"> | |
9564 <param name="max_intensity" value="-1"/> | |
9565 <param name="auto_max_stdev_factor" value="3.0"/> | |
9566 <param name="auto_max_percentile" value="95"/> | |
9567 <param name="auto_mode" value="0"/> | |
9568 <param name="win_len" value="200.0"/> | |
9569 <param name="bin_count" value="30"/> | |
9570 <param name="min_required_elements" value="10"/> | |
9571 <param name="noise_for_empty_window" value="1e+20"/> | |
9572 <param name="write_log_messages" value="true"/> | |
9573 </section> | |
9574 </section> | |
9575 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9576 <output name="ctd_out" ftype="xml"> | |
9577 <assert_contents> | |
9578 <is_valid_xml/> | |
9579 </assert_contents> | |
9580 </output> | |
9581 </test> | |
9582 <test expect_num_outputs="2"> | |
9583 <conditional name="adv_opts_cond"> | |
9584 <param name="adv_opts_selector" value="advanced"/> | |
9585 <param name="force" value="false"/> | |
9586 <param name="test" value="true"/> | |
9587 </conditional> | |
9588 <param name="in" value="FileFilter_45_input.featureXML"/> | |
9589 <output name="out" file="FileFilter_45_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
9590 <param name="out_type" value="featurexml"/> | |
9591 <param name="rt" value=":"/> | |
9592 <param name="mz" value=":"/> | |
9593 <param name="int" value=":"/> | |
9594 <param name="sort" value="false"/> | |
9595 <section name="peak_options"> | |
9596 <param name="sn" value="0.0"/> | |
9597 <param name="rm_pc_charge" value=""/> | |
9598 <param name="pc_mz_range" value=":"/> | |
9599 <param name="pc_mz_list" value=""/> | |
9600 <param name="level" value="1 2 3"/> | |
9601 <param name="sort_peaks" value="false"/> | |
9602 <param name="no_chromatograms" value="false"/> | |
9603 <param name="remove_chromatograms" value="false"/> | |
9604 <param name="remove_empty" value="false"/> | |
9605 <param name="mz_precision" value="64"/> | |
9606 <param name="int_precision" value="32"/> | |
9607 <param name="indexed_file" value="true"/> | |
9608 <param name="zlib_compression" value="false"/> | |
9609 <section name="numpress"> | |
9610 <param name="masstime" value="none"/> | |
9611 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9612 <param name="intensity" value="none"/> | |
9613 <param name="float_da" value="none"/> | |
9614 </section> | |
9615 </section> | |
9616 <section name="spectra"> | |
9617 <param name="remove_zoom" value="false"/> | |
9618 <param name="remove_mode" value=""/> | |
9619 <param name="remove_activation" value=""/> | |
9620 <param name="remove_collision_energy" value=":"/> | |
9621 <param name="remove_isolation_window_width" value=":"/> | |
9622 <param name="select_zoom" value="false"/> | |
9623 <param name="select_mode" value=""/> | |
9624 <param name="select_activation" value=""/> | |
9625 <param name="select_collision_energy" value=":"/> | |
9626 <param name="select_isolation_window_width" value=":"/> | |
9627 <param name="select_polarity" value=""/> | |
9628 <section name="blackorwhitelist"> | |
9629 <param name="similarity_threshold" value="-1.0"/> | |
9630 <param name="rt" value="0.01"/> | |
9631 <param name="mz" value="0.01"/> | |
9632 <param name="use_ppm_tolerance" value="false"/> | |
9633 <param name="blacklist" value="true"/> | |
9634 </section> | |
9635 </section> | |
9636 <section name="feature"> | |
9637 <param name="q" value=":"/> | |
9638 </section> | |
9639 <section name="consensus"> | |
9640 <param name="map" value=""/> | |
9641 <param name="map_and" value="false"/> | |
9642 <section name="blackorwhitelist"> | |
9643 <param name="blacklist" value="true"/> | |
9644 <param name="maps" value=""/> | |
9645 <param name="rt" value="60.0"/> | |
9646 <param name="mz" value="0.01"/> | |
9647 <param name="use_ppm_tolerance" value="false"/> | |
9648 </section> | |
9649 </section> | |
9650 <section name="f_and_c"> | |
9651 <param name="charge" value=":"/> | |
9652 <param name="size" value=":"/> | |
9653 <param name="remove_meta" value=""/> | |
9654 </section> | |
9655 <section name="id"> | |
9656 <param name="remove_clashes" value="false"/> | |
9657 <param name="keep_best_score_id" value="false"/> | |
9658 <param name="sequences_whitelist" value=""YSFS" "STLIPPPSK(Label:13C(6)15N(2))""/> | |
9659 <param name="sequence_comparison_method" value="substring"/> | |
9660 <param name="accessions_whitelist" value=""/> | |
9661 <param name="remove_annotated_features" value="false"/> | |
9662 <param name="remove_unannotated_features" value="false"/> | |
9663 <param name="remove_unassigned_ids" value="false"/> | |
9664 <param name="rt" value="0.1"/> | |
9665 <param name="mz" value="0.001"/> | |
9666 <param name="blacklist_imperfect" value="false"/> | |
9667 </section> | |
9668 <section name="algorithm"> | |
9669 <section name="SignalToNoise"> | |
9670 <param name="max_intensity" value="-1"/> | |
9671 <param name="auto_max_stdev_factor" value="3.0"/> | |
9672 <param name="auto_max_percentile" value="95"/> | |
9673 <param name="auto_mode" value="0"/> | |
9674 <param name="win_len" value="200.0"/> | |
9675 <param name="bin_count" value="30"/> | |
9676 <param name="min_required_elements" value="10"/> | |
9677 <param name="noise_for_empty_window" value="1e+20"/> | |
9678 <param name="write_log_messages" value="true"/> | |
9679 </section> | |
9680 </section> | |
9681 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9682 <output name="ctd_out" ftype="xml"> | |
9683 <assert_contents> | |
9684 <is_valid_xml/> | |
9685 </assert_contents> | |
9686 </output> | |
9687 </test> | |
9688 <test expect_num_outputs="2"> | |
9689 <conditional name="adv_opts_cond"> | |
9690 <param name="adv_opts_selector" value="advanced"/> | |
9691 <param name="force" value="false"/> | |
9692 <param name="test" value="true"/> | |
9693 </conditional> | |
9694 <param name="in" value="FileFilter_46_input.featureXML"/> | |
9695 <output name="out" file="FileFilter_46_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
9696 <param name="out_type" value="featurexml"/> | |
9697 <param name="rt" value=":"/> | |
9698 <param name="mz" value=":"/> | |
9699 <param name="int" value=":"/> | |
9700 <param name="sort" value="false"/> | |
9701 <section name="peak_options"> | |
9702 <param name="sn" value="0.0"/> | |
9703 <param name="rm_pc_charge" value=""/> | |
9704 <param name="pc_mz_range" value=":"/> | |
9705 <param name="pc_mz_list" value=""/> | |
9706 <param name="level" value="1 2 3"/> | |
9707 <param name="sort_peaks" value="false"/> | |
9708 <param name="no_chromatograms" value="false"/> | |
9709 <param name="remove_chromatograms" value="false"/> | |
9710 <param name="remove_empty" value="false"/> | |
9711 <param name="mz_precision" value="64"/> | |
9712 <param name="int_precision" value="32"/> | |
9713 <param name="indexed_file" value="true"/> | |
9714 <param name="zlib_compression" value="false"/> | |
9715 <section name="numpress"> | |
9716 <param name="masstime" value="none"/> | |
9717 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9718 <param name="intensity" value="none"/> | |
9719 <param name="float_da" value="none"/> | |
9720 </section> | |
9721 </section> | |
9722 <section name="spectra"> | |
9723 <param name="remove_zoom" value="false"/> | |
9724 <param name="remove_mode" value=""/> | |
9725 <param name="remove_activation" value=""/> | |
9726 <param name="remove_collision_energy" value=":"/> | |
9727 <param name="remove_isolation_window_width" value=":"/> | |
9728 <param name="select_zoom" value="false"/> | |
9729 <param name="select_mode" value=""/> | |
9730 <param name="select_activation" value=""/> | |
9731 <param name="select_collision_energy" value=":"/> | |
9732 <param name="select_isolation_window_width" value=":"/> | |
9733 <param name="select_polarity" value=""/> | |
9734 <section name="blackorwhitelist"> | |
9735 <param name="similarity_threshold" value="-1.0"/> | |
9736 <param name="rt" value="0.01"/> | |
9737 <param name="mz" value="0.01"/> | |
9738 <param name="use_ppm_tolerance" value="false"/> | |
9739 <param name="blacklist" value="true"/> | |
9740 </section> | |
9741 </section> | |
9742 <section name="feature"> | |
9743 <param name="q" value=":"/> | |
9744 </section> | |
9745 <section name="consensus"> | |
9746 <param name="map" value=""/> | |
9747 <param name="map_and" value="false"/> | |
9748 <section name="blackorwhitelist"> | |
9749 <param name="blacklist" value="true"/> | |
9750 <param name="maps" value=""/> | |
9751 <param name="rt" value="60.0"/> | |
9752 <param name="mz" value="0.01"/> | |
9753 <param name="use_ppm_tolerance" value="false"/> | |
9754 </section> | |
9755 </section> | |
9756 <section name="f_and_c"> | |
9757 <param name="charge" value=":"/> | |
9758 <param name="size" value=":"/> | |
9759 <param name="remove_meta" value=""/> | |
9760 </section> | |
9761 <section name="id"> | |
9762 <param name="remove_clashes" value="false"/> | |
9763 <param name="keep_best_score_id" value="false"/> | |
9764 <param name="sequences_whitelist" value=""YSFS" "STLIPPPSK(Label:13C(6)15N(2))""/> | |
9765 <param name="sequence_comparison_method" value="exact"/> | |
9766 <param name="accessions_whitelist" value=""/> | |
9767 <param name="remove_annotated_features" value="false"/> | |
9768 <param name="remove_unannotated_features" value="false"/> | |
9769 <param name="remove_unassigned_ids" value="false"/> | |
9770 <param name="rt" value="0.1"/> | |
9771 <param name="mz" value="0.001"/> | |
9772 <param name="blacklist_imperfect" value="false"/> | |
9773 </section> | |
9774 <section name="algorithm"> | |
9775 <section name="SignalToNoise"> | |
9776 <param name="max_intensity" value="-1"/> | |
9777 <param name="auto_max_stdev_factor" value="3.0"/> | |
9778 <param name="auto_max_percentile" value="95"/> | |
9779 <param name="auto_mode" value="0"/> | |
9780 <param name="win_len" value="200.0"/> | |
9781 <param name="bin_count" value="30"/> | |
9782 <param name="min_required_elements" value="10"/> | |
9783 <param name="noise_for_empty_window" value="1e+20"/> | |
9784 <param name="write_log_messages" value="true"/> | |
9785 </section> | |
9786 </section> | |
9787 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9788 <output name="ctd_out" ftype="xml"> | |
9789 <assert_contents> | |
9790 <is_valid_xml/> | |
9791 </assert_contents> | |
9792 </output> | |
9793 </test> | |
9794 <test expect_num_outputs="2"> | |
9795 <conditional name="adv_opts_cond"> | |
9796 <param name="adv_opts_selector" value="advanced"/> | |
9797 <param name="force" value="false"/> | |
9798 <param name="test" value="true"/> | |
9799 </conditional> | |
9800 <param name="in" value="FileFilter_47_input.mzML"/> | |
9801 <output name="out" file="FileFilter_47_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9802 <param name="out_type" value="mzml"/> | |
9803 <param name="rt" value=":"/> | |
9804 <param name="mz" value=":"/> | |
9805 <param name="int" value=":"/> | |
9806 <param name="sort" value="false"/> | |
9807 <section name="peak_options"> | |
9808 <param name="sn" value="0.0"/> | |
9809 <param name="rm_pc_charge" value=""/> | |
9810 <param name="pc_mz_range" value=":"/> | |
9811 <param name="pc_mz_list" value=""/> | |
9812 <param name="level" value="1 2 3"/> | |
9813 <param name="sort_peaks" value="false"/> | |
9814 <param name="no_chromatograms" value="false"/> | |
9815 <param name="remove_chromatograms" value="false"/> | |
9816 <param name="remove_empty" value="false"/> | |
9817 <param name="mz_precision" value="64"/> | |
9818 <param name="int_precision" value="32"/> | |
9819 <param name="indexed_file" value="true"/> | |
9820 <param name="zlib_compression" value="false"/> | |
9821 <section name="numpress"> | |
9822 <param name="masstime" value="none"/> | |
9823 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9824 <param name="intensity" value="none"/> | |
9825 <param name="float_da" value="none"/> | |
9826 </section> | |
9827 </section> | |
9828 <section name="spectra"> | |
9829 <param name="remove_zoom" value="false"/> | |
9830 <param name="remove_mode" value=""/> | |
9831 <param name="remove_activation" value=""/> | |
9832 <param name="remove_collision_energy" value=":"/> | |
9833 <param name="remove_isolation_window_width" value=":"/> | |
9834 <param name="select_zoom" value="false"/> | |
9835 <param name="select_mode" value=""/> | |
9836 <param name="select_activation" value=""/> | |
9837 <param name="select_collision_energy" value=":"/> | |
9838 <param name="select_isolation_window_width" value=":"/> | |
9839 <param name="select_polarity" value=""/> | |
9840 <section name="blackorwhitelist"> | |
9841 <param name="file" value="FileFilter_47_input_select.mzML"/> | |
9842 <param name="similarity_threshold" value="0.9"/> | |
9843 <param name="rt" value="0.01"/> | |
9844 <param name="mz" value="0.01"/> | |
9845 <param name="use_ppm_tolerance" value="false"/> | |
9846 <param name="blacklist" value="true"/> | |
9847 </section> | |
9848 </section> | |
9849 <section name="feature"> | |
9850 <param name="q" value=":"/> | |
9851 </section> | |
9852 <section name="consensus"> | |
9853 <param name="map" value=""/> | |
9854 <param name="map_and" value="false"/> | |
9855 <section name="blackorwhitelist"> | |
9856 <param name="blacklist" value="true"/> | |
9857 <param name="maps" value=""/> | |
9858 <param name="rt" value="60.0"/> | |
9859 <param name="mz" value="0.01"/> | |
9860 <param name="use_ppm_tolerance" value="false"/> | |
9861 </section> | |
9862 </section> | |
9863 <section name="f_and_c"> | |
9864 <param name="charge" value=":"/> | |
9865 <param name="size" value=":"/> | |
9866 <param name="remove_meta" value=""/> | |
9867 </section> | |
9868 <section name="id"> | |
9869 <param name="remove_clashes" value="false"/> | |
9870 <param name="keep_best_score_id" value="false"/> | |
9871 <param name="sequences_whitelist" value=""/> | |
9872 <param name="sequence_comparison_method" value="substring"/> | |
9873 <param name="accessions_whitelist" value=""/> | |
9874 <param name="remove_annotated_features" value="false"/> | |
9875 <param name="remove_unannotated_features" value="false"/> | |
9876 <param name="remove_unassigned_ids" value="false"/> | |
9877 <param name="rt" value="0.1"/> | |
9878 <param name="mz" value="0.001"/> | |
9879 <param name="blacklist_imperfect" value="false"/> | |
9880 </section> | |
9881 <section name="algorithm"> | |
9882 <section name="SignalToNoise"> | |
9883 <param name="max_intensity" value="-1"/> | |
9884 <param name="auto_max_stdev_factor" value="3.0"/> | |
9885 <param name="auto_max_percentile" value="95"/> | |
9886 <param name="auto_mode" value="0"/> | |
9887 <param name="win_len" value="200.0"/> | |
9888 <param name="bin_count" value="30"/> | |
9889 <param name="min_required_elements" value="10"/> | |
9890 <param name="noise_for_empty_window" value="1e+20"/> | |
9891 <param name="write_log_messages" value="true"/> | |
9892 </section> | |
9893 </section> | |
9894 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
9895 <output name="ctd_out" ftype="xml"> | |
9896 <assert_contents> | |
9897 <is_valid_xml/> | |
9898 </assert_contents> | |
9899 </output> | |
9900 </test> | |
9901 <test expect_num_outputs="2"> | |
9902 <conditional name="adv_opts_cond"> | |
9903 <param name="adv_opts_selector" value="advanced"/> | |
9904 <param name="force" value="false"/> | |
9905 <param name="test" value="true"/> | |
9906 </conditional> | |
9907 <param name="in" value="FileFilter_47_input.mzML"/> | |
9908 <output name="out" file="FileFilter_48_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
9909 <param name="out_type" value="mzml"/> | |
9910 <param name="rt" value=":"/> | |
9911 <param name="mz" value=":"/> | |
9912 <param name="int" value=":"/> | |
9913 <param name="sort" value="false"/> | |
9914 <section name="peak_options"> | |
9915 <param name="sn" value="0.0"/> | |
9916 <param name="rm_pc_charge" value=""/> | |
9917 <param name="pc_mz_range" value=":"/> | |
9918 <param name="pc_mz_list" value=""/> | |
9919 <param name="level" value="1 2 3"/> | |
9920 <param name="sort_peaks" value="false"/> | |
9921 <param name="no_chromatograms" value="false"/> | |
9922 <param name="remove_chromatograms" value="false"/> | |
9923 <param name="remove_empty" value="false"/> | |
9924 <param name="mz_precision" value="64"/> | |
9925 <param name="int_precision" value="32"/> | |
9926 <param name="indexed_file" value="true"/> | |
9927 <param name="zlib_compression" value="false"/> | |
9928 <section name="numpress"> | |
9929 <param name="masstime" value="none"/> | |
9930 <param name="lossy_mass_accuracy" value="-1.0"/> | |
9931 <param name="intensity" value="none"/> | |
9932 <param name="float_da" value="none"/> | |
9933 </section> | |
9934 </section> | |
9935 <section name="spectra"> | |
9936 <param name="remove_zoom" value="false"/> | |
9937 <param name="remove_mode" value=""/> | |
9938 <param name="remove_activation" value=""/> | |
9939 <param name="remove_collision_energy" value=":"/> | |
9940 <param name="remove_isolation_window_width" value=":"/> | |
9941 <param name="select_zoom" value="false"/> | |
9942 <param name="select_mode" value=""/> | |
9943 <param name="select_activation" value=""/> | |
9944 <param name="select_collision_energy" value=":"/> | |
9945 <param name="select_isolation_window_width" value=":"/> | |
9946 <param name="select_polarity" value=""/> | |
9947 <section name="blackorwhitelist"> | |
9948 <param name="file" value="FileFilter_47_input_select.mzML"/> | |
9949 <param name="similarity_threshold" value="0.9"/> | |
9950 <param name="rt" value="0.01"/> | |
9951 <param name="mz" value="0.01"/> | |
9952 <param name="use_ppm_tolerance" value="false"/> | |
9953 <param name="blacklist" value="false"/> | |
9954 </section> | |
9955 </section> | |
9956 <section name="feature"> | |
9957 <param name="q" value=":"/> | |
9958 </section> | |
9959 <section name="consensus"> | |
9960 <param name="map" value=""/> | |
9961 <param name="map_and" value="false"/> | |
9962 <section name="blackorwhitelist"> | |
9963 <param name="blacklist" value="true"/> | |
9964 <param name="maps" value=""/> | |
9965 <param name="rt" value="60.0"/> | |
9966 <param name="mz" value="0.01"/> | |
9967 <param name="use_ppm_tolerance" value="false"/> | |
9968 </section> | |
9969 </section> | |
9970 <section name="f_and_c"> | |
9971 <param name="charge" value=":"/> | |
9972 <param name="size" value=":"/> | |
9973 <param name="remove_meta" value=""/> | |
9974 </section> | |
9975 <section name="id"> | |
9976 <param name="remove_clashes" value="false"/> | |
9977 <param name="keep_best_score_id" value="false"/> | |
9978 <param name="sequences_whitelist" value=""/> | |
9979 <param name="sequence_comparison_method" value="substring"/> | |
9980 <param name="accessions_whitelist" value=""/> | |
9981 <param name="remove_annotated_features" value="false"/> | |
9982 <param name="remove_unannotated_features" value="false"/> | |
9983 <param name="remove_unassigned_ids" value="false"/> | |
9984 <param name="rt" value="0.1"/> | |
9985 <param name="mz" value="0.001"/> | |
9986 <param name="blacklist_imperfect" value="false"/> | |
9987 </section> | |
9988 <section name="algorithm"> | |
9989 <section name="SignalToNoise"> | |
9990 <param name="max_intensity" value="-1"/> | |
9991 <param name="auto_max_stdev_factor" value="3.0"/> | |
9992 <param name="auto_max_percentile" value="95"/> | |
9993 <param name="auto_mode" value="0"/> | |
9994 <param name="win_len" value="200.0"/> | |
9995 <param name="bin_count" value="30"/> | |
9996 <param name="min_required_elements" value="10"/> | |
9997 <param name="noise_for_empty_window" value="1e+20"/> | |
9998 <param name="write_log_messages" value="true"/> | |
9999 </section> | |
10000 </section> | |
10001 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10002 <output name="ctd_out" ftype="xml"> | |
10003 <assert_contents> | |
10004 <is_valid_xml/> | |
10005 </assert_contents> | |
10006 </output> | |
10007 </test> | |
10008 <test expect_num_outputs="2"> | |
10009 <conditional name="adv_opts_cond"> | |
10010 <param name="adv_opts_selector" value="advanced"/> | |
10011 <param name="force" value="false"/> | |
10012 <param name="test" value="true"/> | |
10013 </conditional> | |
10014 <param name="in" value="FileFilter_49_input.mzML"/> | |
10015 <output name="out" file="FileFilter_49_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10016 <param name="out_type" value="mzml"/> | |
10017 <param name="rt" value=":"/> | |
10018 <param name="mz" value=":"/> | |
10019 <param name="int" value=":"/> | |
10020 <param name="sort" value="false"/> | |
10021 <section name="peak_options"> | |
10022 <param name="sn" value="0.0"/> | |
10023 <param name="rm_pc_charge" value=""/> | |
10024 <param name="pc_mz_range" value=":"/> | |
10025 <param name="pc_mz_list" value=""/> | |
10026 <param name="level" value="1 2 3"/> | |
10027 <param name="sort_peaks" value="false"/> | |
10028 <param name="no_chromatograms" value="false"/> | |
10029 <param name="remove_chromatograms" value="false"/> | |
10030 <param name="remove_empty" value="false"/> | |
10031 <param name="mz_precision" value="64"/> | |
10032 <param name="int_precision" value="32"/> | |
10033 <param name="indexed_file" value="true"/> | |
10034 <param name="zlib_compression" value="true"/> | |
10035 <section name="numpress"> | |
10036 <param name="masstime" value="linear"/> | |
10037 <param name="lossy_mass_accuracy" value="-1.0"/> | |
10038 <param name="intensity" value="pic"/> | |
10039 <param name="float_da" value="slof"/> | |
10040 </section> | |
10041 </section> | |
10042 <section name="spectra"> | |
10043 <param name="remove_zoom" value="false"/> | |
10044 <param name="remove_mode" value=""/> | |
10045 <param name="remove_activation" value=""/> | |
10046 <param name="remove_collision_energy" value=":"/> | |
10047 <param name="remove_isolation_window_width" value=":"/> | |
10048 <param name="select_zoom" value="false"/> | |
10049 <param name="select_mode" value=""/> | |
10050 <param name="select_activation" value=""/> | |
10051 <param name="select_collision_energy" value=":"/> | |
10052 <param name="select_isolation_window_width" value=":"/> | |
10053 <param name="select_polarity" value=""/> | |
10054 <section name="blackorwhitelist"> | |
10055 <param name="similarity_threshold" value="-1.0"/> | |
10056 <param name="rt" value="0.01"/> | |
10057 <param name="mz" value="0.01"/> | |
10058 <param name="use_ppm_tolerance" value="false"/> | |
10059 <param name="blacklist" value="true"/> | |
10060 </section> | |
10061 </section> | |
10062 <section name="feature"> | |
10063 <param name="q" value=":"/> | |
10064 </section> | |
10065 <section name="consensus"> | |
10066 <param name="map" value=""/> | |
10067 <param name="map_and" value="false"/> | |
10068 <section name="blackorwhitelist"> | |
10069 <param name="blacklist" value="true"/> | |
10070 <param name="maps" value=""/> | |
10071 <param name="rt" value="60.0"/> | |
10072 <param name="mz" value="0.01"/> | |
10073 <param name="use_ppm_tolerance" value="false"/> | |
10074 </section> | |
10075 </section> | |
10076 <section name="f_and_c"> | |
10077 <param name="charge" value=":"/> | |
10078 <param name="size" value=":"/> | |
10079 <param name="remove_meta" value=""/> | |
10080 </section> | |
10081 <section name="id"> | |
10082 <param name="remove_clashes" value="false"/> | |
10083 <param name="keep_best_score_id" value="false"/> | |
10084 <param name="sequences_whitelist" value=""/> | |
10085 <param name="sequence_comparison_method" value="substring"/> | |
10086 <param name="accessions_whitelist" value=""/> | |
10087 <param name="remove_annotated_features" value="false"/> | |
10088 <param name="remove_unannotated_features" value="false"/> | |
10089 <param name="remove_unassigned_ids" value="false"/> | |
10090 <param name="rt" value="0.1"/> | |
10091 <param name="mz" value="0.001"/> | |
10092 <param name="blacklist_imperfect" value="false"/> | |
10093 </section> | |
10094 <section name="algorithm"> | |
10095 <section name="SignalToNoise"> | |
10096 <param name="max_intensity" value="-1"/> | |
10097 <param name="auto_max_stdev_factor" value="3.0"/> | |
10098 <param name="auto_max_percentile" value="95"/> | |
10099 <param name="auto_mode" value="0"/> | |
10100 <param name="win_len" value="200.0"/> | |
10101 <param name="bin_count" value="30"/> | |
10102 <param name="min_required_elements" value="10"/> | |
10103 <param name="noise_for_empty_window" value="1e+20"/> | |
10104 <param name="write_log_messages" value="true"/> | |
10105 </section> | |
10106 </section> | |
10107 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10108 <output name="ctd_out" ftype="xml"> | |
10109 <assert_contents> | |
10110 <is_valid_xml/> | |
10111 </assert_contents> | |
10112 </output> | |
10113 </test> | |
10114 </xml> | |
10115 <xml name="autotest_FileInfo"> | |
10116 <test expect_num_outputs="2"> | |
10117 <conditional name="adv_opts_cond"> | |
10118 <param name="adv_opts_selector" value="advanced"/> | |
10119 <param name="force" value="false"/> | |
10120 <param name="test" value="true"/> | |
10121 </conditional> | |
10122 <param name="in" value="FileInfo_1_input.dta" ftype="dta"/> | |
10123 <output name="out" file="FileInfo_1_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10124 <param name="m" value="false"/> | |
10125 <param name="p" value="false"/> | |
10126 <param name="s" value="false"/> | |
10127 <param name="d" value="false"/> | |
10128 <param name="c" value="false"/> | |
10129 <param name="v" value="false"/> | |
10130 <param name="i" value="false"/> | |
10131 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10132 <output name="ctd_out" ftype="xml"> | |
10133 <assert_contents> | |
10134 <is_valid_xml/> | |
10135 </assert_contents> | |
10136 </output> | |
10137 </test> | |
10138 <test expect_num_outputs="2"> | |
10139 <conditional name="adv_opts_cond"> | |
10140 <param name="adv_opts_selector" value="advanced"/> | |
10141 <param name="force" value="false"/> | |
10142 <param name="test" value="true"/> | |
10143 </conditional> | |
10144 <param name="in" value="FileInfo_2_input.dta2d" ftype="dta2d"/> | |
10145 <output name="out" file="FileInfo_2_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10146 <param name="m" value="false"/> | |
10147 <param name="p" value="false"/> | |
10148 <param name="s" value="false"/> | |
10149 <param name="d" value="false"/> | |
10150 <param name="c" value="false"/> | |
10151 <param name="v" value="false"/> | |
10152 <param name="i" value="false"/> | |
10153 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10154 <output name="ctd_out" ftype="xml"> | |
10155 <assert_contents> | |
10156 <is_valid_xml/> | |
10157 </assert_contents> | |
10158 </output> | |
10159 </test> | |
10160 <test expect_num_outputs="2"> | |
10161 <conditional name="adv_opts_cond"> | |
10162 <param name="adv_opts_selector" value="advanced"/> | |
10163 <param name="force" value="false"/> | |
10164 <param name="test" value="true"/> | |
10165 </conditional> | |
10166 <param name="in" value="FileInfo_3_input.featureXML"/> | |
10167 <output name="out" file="FileInfo_3_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10168 <param name="m" value="true"/> | |
10169 <param name="p" value="true"/> | |
10170 <param name="s" value="true"/> | |
10171 <param name="d" value="false"/> | |
10172 <param name="c" value="false"/> | |
10173 <param name="v" value="false"/> | |
10174 <param name="i" value="false"/> | |
10175 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10176 <output name="ctd_out" ftype="xml"> | |
10177 <assert_contents> | |
10178 <is_valid_xml/> | |
10179 </assert_contents> | |
10180 </output> | |
10181 </test> | |
10182 <test expect_num_outputs="2"> | |
10183 <conditional name="adv_opts_cond"> | |
10184 <param name="adv_opts_selector" value="advanced"/> | |
10185 <param name="force" value="false"/> | |
10186 <param name="test" value="true"/> | |
10187 </conditional> | |
10188 <param name="in" value="FileInfo_4_input.mzXML"/> | |
10189 <output name="out" file="FileInfo_4_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10190 <param name="m" value="true"/> | |
10191 <param name="p" value="false"/> | |
10192 <param name="s" value="false"/> | |
10193 <param name="d" value="false"/> | |
10194 <param name="c" value="false"/> | |
10195 <param name="v" value="false"/> | |
10196 <param name="i" value="false"/> | |
10197 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10198 <output name="ctd_out" ftype="xml"> | |
10199 <assert_contents> | |
10200 <is_valid_xml/> | |
10201 </assert_contents> | |
10202 </output> | |
10203 </test> | |
10204 <test expect_num_outputs="2"> | |
10205 <conditional name="adv_opts_cond"> | |
10206 <param name="adv_opts_selector" value="advanced"/> | |
10207 <param name="force" value="false"/> | |
10208 <param name="test" value="true"/> | |
10209 </conditional> | |
10210 <param name="in" value="FileInfo_5_input.mzDat"/> | |
10211 <output name="out" file="FileInfo_5_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10212 <param name="m" value="true"/> | |
10213 <param name="p" value="false"/> | |
10214 <param name="s" value="true"/> | |
10215 <param name="d" value="false"/> | |
10216 <param name="c" value="false"/> | |
10217 <param name="v" value="false"/> | |
10218 <param name="i" value="false"/> | |
10219 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10220 <output name="ctd_out" ftype="xml"> | |
10221 <assert_contents> | |
10222 <is_valid_xml/> | |
10223 </assert_contents> | |
10224 </output> | |
10225 </test> | |
10226 <test expect_num_outputs="2"> | |
10227 <conditional name="adv_opts_cond"> | |
10228 <param name="adv_opts_selector" value="advanced"/> | |
10229 <param name="force" value="false"/> | |
10230 <param name="test" value="true"/> | |
10231 </conditional> | |
10232 <param name="in" value="FileInfo_6_input.mzData"/> | |
10233 <output name="out" file="FileInfo_6_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10234 <param name="m" value="false"/> | |
10235 <param name="p" value="false"/> | |
10236 <param name="s" value="true"/> | |
10237 <param name="d" value="true"/> | |
10238 <param name="c" value="false"/> | |
10239 <param name="v" value="false"/> | |
10240 <param name="i" value="false"/> | |
10241 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10242 <output name="ctd_out" ftype="xml"> | |
10243 <assert_contents> | |
10244 <is_valid_xml/> | |
10245 </assert_contents> | |
10246 </output> | |
10247 </test> | |
10248 <test expect_num_outputs="2"> | |
10249 <conditional name="adv_opts_cond"> | |
10250 <param name="adv_opts_selector" value="advanced"/> | |
10251 <param name="force" value="false"/> | |
10252 <param name="test" value="true"/> | |
10253 </conditional> | |
10254 <param name="in" value="FileInfo_7_input.consensusXML"/> | |
10255 <output name="out" file="FileInfo_7_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10256 <param name="m" value="true"/> | |
10257 <param name="p" value="true"/> | |
10258 <param name="s" value="true"/> | |
10259 <param name="d" value="false"/> | |
10260 <param name="c" value="false"/> | |
10261 <param name="v" value="false"/> | |
10262 <param name="i" value="false"/> | |
10263 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10264 <output name="ctd_out" ftype="xml"> | |
10265 <assert_contents> | |
10266 <is_valid_xml/> | |
10267 </assert_contents> | |
10268 </output> | |
10269 </test> | |
10270 <test expect_num_outputs="2"> | |
10271 <conditional name="adv_opts_cond"> | |
10272 <param name="adv_opts_selector" value="advanced"/> | |
10273 <param name="force" value="false"/> | |
10274 <param name="test" value="true"/> | |
10275 </conditional> | |
10276 <param name="in" value="FileInfo_9_input.mzML"/> | |
10277 <output name="out" file="FileInfo_9_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10278 <param name="m" value="true"/> | |
10279 <param name="p" value="true"/> | |
10280 <param name="s" value="true"/> | |
10281 <param name="d" value="false"/> | |
10282 <param name="c" value="false"/> | |
10283 <param name="v" value="false"/> | |
10284 <param name="i" value="false"/> | |
10285 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10286 <output name="ctd_out" ftype="xml"> | |
10287 <assert_contents> | |
10288 <is_valid_xml/> | |
10289 </assert_contents> | |
10290 </output> | |
10291 </test> | |
10292 <test expect_num_outputs="2"> | |
10293 <conditional name="adv_opts_cond"> | |
10294 <param name="adv_opts_selector" value="advanced"/> | |
10295 <param name="force" value="false"/> | |
10296 <param name="test" value="true"/> | |
10297 </conditional> | |
10298 <param name="in" value="FileInfo_10_input.idXML"/> | |
10299 <output name="out" file="FileInfo_10_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10300 <param name="m" value="false"/> | |
10301 <param name="p" value="false"/> | |
10302 <param name="s" value="false"/> | |
10303 <param name="d" value="false"/> | |
10304 <param name="c" value="false"/> | |
10305 <param name="v" value="false"/> | |
10306 <param name="i" value="false"/> | |
10307 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10308 <output name="ctd_out" ftype="xml"> | |
10309 <assert_contents> | |
10310 <is_valid_xml/> | |
10311 </assert_contents> | |
10312 </output> | |
10313 </test> | |
10314 <test expect_num_outputs="2"> | |
10315 <conditional name="adv_opts_cond"> | |
10316 <param name="adv_opts_selector" value="advanced"/> | |
10317 <param name="force" value="false"/> | |
10318 <param name="test" value="true"/> | |
10319 </conditional> | |
10320 <param name="in" value="FileInfo_12_input.mzML"/> | |
10321 <param name="m" value="false"/> | |
10322 <param name="p" value="false"/> | |
10323 <param name="s" value="false"/> | |
10324 <param name="d" value="false"/> | |
10325 <param name="c" value="false"/> | |
10326 <param name="v" value="false"/> | |
10327 <param name="i" value="true"/> | |
10328 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10329 <output name="ctd_out" ftype="xml"> | |
10330 <assert_contents> | |
10331 <is_valid_xml/> | |
10332 </assert_contents> | |
10333 </output> | |
10334 </test> | |
10335 <test expect_num_outputs="2"> | |
10336 <conditional name="adv_opts_cond"> | |
10337 <param name="adv_opts_selector" value="advanced"/> | |
10338 <param name="force" value="false"/> | |
10339 <param name="test" value="true"/> | |
10340 </conditional> | |
10341 <param name="in" value="FileInfo_13_input.consensusXML"/> | |
10342 <param name="m" value="false"/> | |
10343 <param name="p" value="false"/> | |
10344 <param name="s" value="false"/> | |
10345 <param name="d" value="false"/> | |
10346 <param name="c" value="false"/> | |
10347 <param name="v" value="false"/> | |
10348 <param name="i" value="false"/> | |
10349 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10350 <output name="ctd_out" ftype="xml"> | |
10351 <assert_contents> | |
10352 <is_valid_xml/> | |
10353 </assert_contents> | |
10354 </output> | |
10355 </test> | |
10356 <test expect_num_outputs="2"> | |
10357 <conditional name="adv_opts_cond"> | |
10358 <param name="adv_opts_selector" value="advanced"/> | |
10359 <param name="force" value="false"/> | |
10360 <param name="test" value="true"/> | |
10361 </conditional> | |
10362 <param name="in" value="FileInfo_14_input.mzid"/> | |
10363 <output name="out" file="FileInfo_14_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10364 <param name="m" value="false"/> | |
10365 <param name="p" value="false"/> | |
10366 <param name="s" value="false"/> | |
10367 <param name="d" value="false"/> | |
10368 <param name="c" value="false"/> | |
10369 <param name="v" value="true"/> | |
10370 <param name="i" value="false"/> | |
10371 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10372 <output name="ctd_out" ftype="xml"> | |
10373 <assert_contents> | |
10374 <is_valid_xml/> | |
10375 </assert_contents> | |
10376 </output> | |
10377 </test> | |
10378 <test expect_num_outputs="2"> | |
10379 <conditional name="adv_opts_cond"> | |
10380 <param name="adv_opts_selector" value="advanced"/> | |
10381 <param name="force" value="false"/> | |
10382 <param name="test" value="true"/> | |
10383 </conditional> | |
10384 <param name="in" value="FileInfo_15_input.mzid"/> | |
10385 <output name="out" file="FileInfo_15_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10386 <param name="m" value="false"/> | |
10387 <param name="p" value="false"/> | |
10388 <param name="s" value="false"/> | |
10389 <param name="d" value="false"/> | |
10390 <param name="c" value="false"/> | |
10391 <param name="v" value="true"/> | |
10392 <param name="i" value="false"/> | |
10393 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10394 <output name="ctd_out" ftype="xml"> | |
10395 <assert_contents> | |
10396 <is_valid_xml/> | |
10397 </assert_contents> | |
10398 </output> | |
10399 </test> | |
10400 <test expect_num_outputs="2"> | |
10401 <conditional name="adv_opts_cond"> | |
10402 <param name="adv_opts_selector" value="advanced"/> | |
10403 <param name="force" value="false"/> | |
10404 <param name="test" value="true"/> | |
10405 </conditional> | |
10406 <param name="in" value="FileInfo_16_input.trafoXML"/> | |
10407 <output name="out" file="FileInfo_16_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10408 <param name="m" value="false"/> | |
10409 <param name="p" value="false"/> | |
10410 <param name="s" value="false"/> | |
10411 <param name="d" value="false"/> | |
10412 <param name="c" value="false"/> | |
10413 <param name="v" value="false"/> | |
10414 <param name="i" value="false"/> | |
10415 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10416 <output name="ctd_out" ftype="xml"> | |
10417 <assert_contents> | |
10418 <is_valid_xml/> | |
10419 </assert_contents> | |
10420 </output> | |
10421 </test> | |
10422 <test expect_num_outputs="2"> | |
10423 <conditional name="adv_opts_cond"> | |
10424 <param name="adv_opts_selector" value="advanced"/> | |
10425 <param name="force" value="false"/> | |
10426 <param name="test" value="true"/> | |
10427 </conditional> | |
10428 <param name="in" value="FileInfo_17_input.fasta"/> | |
10429 <output name="out" file="FileInfo_17_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10430 <param name="m" value="false"/> | |
10431 <param name="p" value="false"/> | |
10432 <param name="s" value="false"/> | |
10433 <param name="d" value="false"/> | |
10434 <param name="c" value="false"/> | |
10435 <param name="v" value="false"/> | |
10436 <param name="i" value="false"/> | |
10437 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10438 <output name="ctd_out" ftype="xml"> | |
10439 <assert_contents> | |
10440 <is_valid_xml/> | |
10441 </assert_contents> | |
10442 </output> | |
10443 </test> | |
10444 <test expect_num_outputs="2"> | |
10445 <conditional name="adv_opts_cond"> | |
10446 <param name="adv_opts_selector" value="advanced"/> | |
10447 <param name="force" value="false"/> | |
10448 <param name="test" value="true"/> | |
10449 </conditional> | |
10450 <param name="in" value="FileInfo_18_input.fasta"/> | |
10451 <output name="out" file="FileInfo_18_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
10452 <param name="m" value="false"/> | |
10453 <param name="p" value="false"/> | |
10454 <param name="s" value="false"/> | |
10455 <param name="d" value="false"/> | |
10456 <param name="c" value="false"/> | |
10457 <param name="v" value="false"/> | |
10458 <param name="i" value="false"/> | |
10459 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10460 <output name="ctd_out" ftype="xml"> | |
10461 <assert_contents> | |
10462 <is_valid_xml/> | |
10463 </assert_contents> | |
10464 </output> | |
10465 </test> | |
10466 </xml> | |
10467 <xml name="autotest_FileMerger"> | |
10468 <test expect_num_outputs="2"> | |
10469 <conditional name="adv_opts_cond"> | |
10470 <param name="adv_opts_selector" value="advanced"/> | |
10471 <param name="force" value="false"/> | |
10472 <param name="test" value="true"/> | |
10473 </conditional> | |
10474 <param name="in" value="FileMerger_2_input1.dta,FileMerger_2_input2.dta" ftype="dta"/> | |
10475 <param name="out_type" value="mzML"/> | |
10476 <output name="out" file="FileMerger_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10477 <param name="annotate_file_origin" value="false"/> | |
10478 <param name="append_method" value="append_rows"/> | |
10479 <section name="rt_concat"> | |
10480 <param name="gap" value="0.0"/> | |
10481 </section> | |
10482 <section name="raw"> | |
10483 <param name="rt_auto" value="false"/> | |
10484 <param name="rt_custom" value="5.0 10.0"/> | |
10485 <param name="rt_filename" value="false"/> | |
10486 <param name="ms_level" value="0"/> | |
10487 </section> | |
10488 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10489 <output name="ctd_out" ftype="xml"> | |
10490 <assert_contents> | |
10491 <is_valid_xml/> | |
10492 </assert_contents> | |
10493 </output> | |
10494 </test> | |
10495 <test expect_num_outputs="2"> | |
10496 <conditional name="adv_opts_cond"> | |
10497 <param name="adv_opts_selector" value="advanced"/> | |
10498 <param name="force" value="false"/> | |
10499 <param name="test" value="true"/> | |
10500 </conditional> | |
10501 <param name="in" value="FileMerger_3_input1.dta,FileMerger_3_input2.dta" ftype="dta"/> | |
10502 <param name="out_type" value="mzML"/> | |
10503 <output name="out" file="FileMerger_3_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10504 <param name="annotate_file_origin" value="false"/> | |
10505 <param name="append_method" value="append_rows"/> | |
10506 <section name="rt_concat"> | |
10507 <param name="gap" value="0.0"/> | |
10508 </section> | |
10509 <section name="raw"> | |
10510 <param name="rt_auto" value="true"/> | |
10511 <param name="rt_custom" value=""/> | |
10512 <param name="rt_filename" value="false"/> | |
10513 <param name="ms_level" value="0"/> | |
10514 </section> | |
10515 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10516 <output name="ctd_out" ftype="xml"> | |
10517 <assert_contents> | |
10518 <is_valid_xml/> | |
10519 </assert_contents> | |
10520 </output> | |
10521 </test> | |
10522 <test expect_num_outputs="2"> | |
10523 <conditional name="adv_opts_cond"> | |
10524 <param name="adv_opts_selector" value="advanced"/> | |
10525 <param name="force" value="false"/> | |
10526 <param name="test" value="true"/> | |
10527 </conditional> | |
10528 <param name="in" value="FileMerger_4_input1.dta2d,FileMerger_4_input2.dta2d" ftype="dta2d"/> | |
10529 <param name="out_type" value="mzML"/> | |
10530 <output name="out" file="FileMerger_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10531 <param name="annotate_file_origin" value="false"/> | |
10532 <param name="append_method" value="append_rows"/> | |
10533 <section name="rt_concat"> | |
10534 <param name="gap" value="0.0"/> | |
10535 </section> | |
10536 <section name="raw"> | |
10537 <param name="rt_auto" value="false"/> | |
10538 <param name="rt_custom" value=""/> | |
10539 <param name="rt_filename" value="false"/> | |
10540 <param name="ms_level" value="0"/> | |
10541 </section> | |
10542 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10543 <output name="ctd_out" ftype="xml"> | |
10544 <assert_contents> | |
10545 <is_valid_xml/> | |
10546 </assert_contents> | |
10547 </output> | |
10548 </test> | |
10549 <test expect_num_outputs="2"> | |
10550 <conditional name="adv_opts_cond"> | |
10551 <param name="adv_opts_selector" value="advanced"/> | |
10552 <param name="force" value="false"/> | |
10553 <param name="test" value="true"/> | |
10554 </conditional> | |
10555 <param name="in" value="FileMerger_5_input_rt1023.331.dta,FileMerger_5_input_rt2044.334.dta,FileMerger_5_input_rt889.32.dta" ftype="dta"/> | |
10556 <param name="out_type" value="mzML"/> | |
10557 <output name="out" file="FileMerger_5_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10558 <param name="annotate_file_origin" value="false"/> | |
10559 <param name="append_method" value="append_rows"/> | |
10560 <section name="rt_concat"> | |
10561 <param name="gap" value="0.0"/> | |
10562 </section> | |
10563 <section name="raw"> | |
10564 <param name="rt_auto" value="false"/> | |
10565 <param name="rt_custom" value=""/> | |
10566 <param name="rt_filename" value="true"/> | |
10567 <param name="ms_level" value="2"/> | |
10568 </section> | |
10569 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10570 <output name="ctd_out" ftype="xml"> | |
10571 <assert_contents> | |
10572 <is_valid_xml/> | |
10573 </assert_contents> | |
10574 </output> | |
10575 </test> | |
10576 <test expect_num_outputs="2"> | |
10577 <conditional name="adv_opts_cond"> | |
10578 <param name="adv_opts_selector" value="advanced"/> | |
10579 <param name="force" value="false"/> | |
10580 <param name="test" value="true"/> | |
10581 </conditional> | |
10582 <param name="in" value="FileMerger_6_input1.mzML,FileMerger_6_input2.mzML"/> | |
10583 <param name="out_type" value="mzML"/> | |
10584 <output name="out" file="FileMerger_6_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10585 <param name="annotate_file_origin" value="false"/> | |
10586 <param name="append_method" value="append_rows"/> | |
10587 <section name="rt_concat"> | |
10588 <param name="gap" value="0.0"/> | |
10589 </section> | |
10590 <section name="raw"> | |
10591 <param name="rt_auto" value="false"/> | |
10592 <param name="rt_custom" value=""/> | |
10593 <param name="rt_filename" value="false"/> | |
10594 <param name="ms_level" value="0"/> | |
10595 </section> | |
10596 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10597 <output name="ctd_out" ftype="xml"> | |
10598 <assert_contents> | |
10599 <is_valid_xml/> | |
10600 </assert_contents> | |
10601 </output> | |
10602 </test> | |
10603 <test expect_num_outputs="2"> | |
10604 <conditional name="adv_opts_cond"> | |
10605 <param name="adv_opts_selector" value="advanced"/> | |
10606 <param name="force" value="false"/> | |
10607 <param name="test" value="true"/> | |
10608 </conditional> | |
10609 <param name="in" value="FileMerger_7_input1.featureXML,FileMerger_7_input2.featureXML"/> | |
10610 <param name="out_type" value="featureXML"/> | |
10611 <output name="out" file="FileMerger_7_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
10612 <param name="annotate_file_origin" value="false"/> | |
10613 <param name="append_method" value="append_rows"/> | |
10614 <section name="rt_concat"> | |
10615 <param name="gap" value="0.0"/> | |
10616 </section> | |
10617 <section name="raw"> | |
10618 <param name="rt_auto" value="false"/> | |
10619 <param name="rt_custom" value=""/> | |
10620 <param name="rt_filename" value="false"/> | |
10621 <param name="ms_level" value="0"/> | |
10622 </section> | |
10623 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10624 <output name="ctd_out" ftype="xml"> | |
10625 <assert_contents> | |
10626 <is_valid_xml/> | |
10627 </assert_contents> | |
10628 </output> | |
10629 </test> | |
10630 <test expect_num_outputs="2"> | |
10631 <conditional name="adv_opts_cond"> | |
10632 <param name="adv_opts_selector" value="advanced"/> | |
10633 <param name="force" value="false"/> | |
10634 <param name="test" value="true"/> | |
10635 </conditional> | |
10636 <param name="in" value="FileMerger_8_input1.consensusXML,FileMerger_8_input2.consensusXML"/> | |
10637 <param name="out_type" value="consensusXML"/> | |
10638 <output name="out" file="FileMerger_8_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
10639 <param name="annotate_file_origin" value="false"/> | |
10640 <param name="append_method" value="append_rows"/> | |
10641 <section name="rt_concat"> | |
10642 <param name="gap" value="0.0"/> | |
10643 </section> | |
10644 <section name="raw"> | |
10645 <param name="rt_auto" value="false"/> | |
10646 <param name="rt_custom" value=""/> | |
10647 <param name="rt_filename" value="false"/> | |
10648 <param name="ms_level" value="0"/> | |
10649 </section> | |
10650 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10651 <output name="ctd_out" ftype="xml"> | |
10652 <assert_contents> | |
10653 <is_valid_xml/> | |
10654 </assert_contents> | |
10655 </output> | |
10656 </test> | |
10657 <test expect_num_outputs="2"> | |
10658 <conditional name="adv_opts_cond"> | |
10659 <param name="adv_opts_selector" value="advanced"/> | |
10660 <param name="force" value="false"/> | |
10661 <param name="test" value="true"/> | |
10662 </conditional> | |
10663 <param name="in" value="FileMerger_9_input1.traML,FileMerger_9_input2.traML"/> | |
10664 <param name="out_type" value="traML"/> | |
10665 <output name="out" file="FileMerger_9_output.traML" compare="sim_size" delta="5700" ftype="traml"/> | |
10666 <param name="annotate_file_origin" value="false"/> | |
10667 <param name="append_method" value="append_rows"/> | |
10668 <section name="rt_concat"> | |
10669 <param name="gap" value="0.0"/> | |
10670 </section> | |
10671 <section name="raw"> | |
10672 <param name="rt_auto" value="false"/> | |
10673 <param name="rt_custom" value=""/> | |
10674 <param name="rt_filename" value="false"/> | |
10675 <param name="ms_level" value="0"/> | |
10676 </section> | |
10677 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10678 <output name="ctd_out" ftype="xml"> | |
10679 <assert_contents> | |
10680 <is_valid_xml/> | |
10681 </assert_contents> | |
10682 </output> | |
10683 </test> | |
10684 <test expect_num_outputs="3"> | |
10685 <conditional name="adv_opts_cond"> | |
10686 <param name="adv_opts_selector" value="advanced"/> | |
10687 <param name="force" value="false"/> | |
10688 <param name="test" value="true"/> | |
10689 </conditional> | |
10690 <param name="in" value="FileMerger_6_input2.mzML,FileMerger_6_input2_2.mzML"/> | |
10691 <param name="out_type" value="mzML"/> | |
10692 <output name="out" file="FileMerger_10_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10693 <param name="annotate_file_origin" value="false"/> | |
10694 <param name="append_method" value="append_rows"/> | |
10695 <section name="rt_concat"> | |
10696 <param name="gap" value="10.0"/> | |
10697 </section> | |
10698 <output_collection name="rt_concat_trafo_out" count="2"/> | |
10699 <section name="raw"> | |
10700 <param name="rt_auto" value="false"/> | |
10701 <param name="rt_custom" value=""/> | |
10702 <param name="rt_filename" value="false"/> | |
10703 <param name="ms_level" value="0"/> | |
10704 </section> | |
10705 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
10706 <output name="ctd_out" ftype="xml"> | |
10707 <assert_contents> | |
10708 <is_valid_xml/> | |
10709 </assert_contents> | |
10710 </output> | |
10711 </test> | |
10712 <test expect_num_outputs="2"> | |
10713 <conditional name="adv_opts_cond"> | |
10714 <param name="adv_opts_selector" value="advanced"/> | |
10715 <param name="force" value="false"/> | |
10716 <param name="test" value="true"/> | |
10717 </conditional> | |
10718 <param name="in" value="FileMerger_8_input1.consensusXML,FileMerger_8_input2.consensusXML"/> | |
10719 <param name="out_type" value="consensusXML"/> | |
10720 <output name="out" file="FileMerger_11_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
10721 <param name="annotate_file_origin" value="false"/> | |
10722 <param name="append_method" value="append_cols"/> | |
10723 <section name="rt_concat"> | |
10724 <param name="gap" value="0.0"/> | |
10725 </section> | |
10726 <section name="raw"> | |
10727 <param name="rt_auto" value="false"/> | |
10728 <param name="rt_custom" value=""/> | |
10729 <param name="rt_filename" value="false"/> | |
10730 <param name="ms_level" value="0"/> | |
10731 </section> | |
10732 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10733 <output name="ctd_out" ftype="xml"> | |
10734 <assert_contents> | |
10735 <is_valid_xml/> | |
10736 </assert_contents> | |
10737 </output> | |
10738 </test> | |
10739 </xml> | |
10740 <xml name="autotest_FuzzyDiff"> | |
10741 <test expect_num_outputs="1"> | |
10742 <conditional name="adv_opts_cond"> | |
10743 <param name="adv_opts_selector" value="advanced"/> | |
10744 <param name="whitelist" value=""<?xml-stylesheet""/> | |
10745 <param name="matched_whitelist" value=""/> | |
10746 <param name="force" value="false"/> | |
10747 <param name="test" value="true"/> | |
10748 </conditional> | |
10749 <param name="in1" value="FuzzyDiff_3_in1.featureXML"/> | |
10750 <param name="in2" value="FuzzyDiff_3_in2.featureXML"/> | |
10751 <param name="ratio" value="1.01"/> | |
10752 <param name="absdiff" value="0.01"/> | |
10753 <param name="verbose" value="1"/> | |
10754 <param name="tab_width" value="8"/> | |
10755 <param name="first_column" value="1"/> | |
10756 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10757 <output name="ctd_out" ftype="xml"> | |
10758 <assert_contents> | |
10759 <is_valid_xml/> | |
10760 </assert_contents> | |
10761 </output> | |
10762 </test> | |
10763 </xml> | |
10764 <xml name="autotest_GNPSExport"> | |
10765 <test expect_num_outputs="2"> | |
10766 <conditional name="adv_opts_cond"> | |
10767 <param name="adv_opts_selector" value="advanced"/> | |
10768 <param name="force" value="false"/> | |
10769 <param name="test" value="true"/> | |
10770 </conditional> | |
10771 <param name="in_cm" value="GNPSExport_single.consensusXML"/> | |
10772 <param name="in_mzml" value="GNPSExport_mz1.mzML"/> | |
10773 <output name="out" file="GNPSExport_1_out.mgf" compare="sim_size" delta="5700" ftype="mgf"/> | |
10774 <param name="output_type" value="full_spectra"/> | |
10775 <param name="precursor_mz_tolerance" value="0.0001"/> | |
10776 <param name="precursor_rt_tolerance" value="5.0"/> | |
10777 <section name="merged_spectra"> | |
10778 <param name="cos_similarity" value="0.95"/> | |
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_cm" value="GNPSExport_single.consensusXML"/> | |
10794 <param name="in_mzml" value="GNPSExport_mz1.mzML"/> | |
10795 <output name="out" file="GNPSExport_2_out.mgf" compare="sim_size" delta="5700" ftype="mgf"/> | |
10796 <param name="output_type" value="merged_spectra"/> | |
10797 <param name="precursor_mz_tolerance" value="0.0001"/> | |
10798 <param name="precursor_rt_tolerance" value="5.0"/> | |
10799 <section name="merged_spectra"> | |
10800 <param name="cos_similarity" value="0.95"/> | |
10801 </section> | |
10802 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10803 <output name="ctd_out" ftype="xml"> | |
10804 <assert_contents> | |
10805 <is_valid_xml/> | |
10806 </assert_contents> | |
10807 </output> | |
10808 </test> | |
10809 <test expect_num_outputs="2"> | |
10810 <conditional name="adv_opts_cond"> | |
10811 <param name="adv_opts_selector" value="advanced"/> | |
10812 <param name="force" value="false"/> | |
10813 <param name="test" value="true"/> | |
10814 </conditional> | |
10815 <param name="in_cm" value="GNPSExport_merged.consensusXML"/> | |
10816 <param name="in_mzml" value="GNPSExport_mz1.mzML,GNPSExport_mz2.mzML"/> | |
10817 <output name="out" file="GNPSExport_3_out.mgf" compare="sim_size" delta="5700" ftype="mgf"/> | |
10818 <param name="output_type" value="full_spectra"/> | |
10819 <param name="precursor_mz_tolerance" value="0.0001"/> | |
10820 <param name="precursor_rt_tolerance" value="5.0"/> | |
10821 <section name="merged_spectra"> | |
10822 <param name="cos_similarity" value="0.95"/> | |
10823 </section> | |
10824 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10825 <output name="ctd_out" ftype="xml"> | |
10826 <assert_contents> | |
10827 <is_valid_xml/> | |
10828 </assert_contents> | |
10829 </output> | |
10830 </test> | |
10831 <test expect_num_outputs="2"> | |
10832 <conditional name="adv_opts_cond"> | |
10833 <param name="adv_opts_selector" value="advanced"/> | |
10834 <param name="force" value="false"/> | |
10835 <param name="test" value="true"/> | |
10836 </conditional> | |
10837 <param name="in_cm" value="GNPSExport_merged.consensusXML"/> | |
10838 <param name="in_mzml" value="GNPSExport_mz1.mzML,GNPSExport_mz2.mzML"/> | |
10839 <output name="out" file="GNPSExport_4_out.mgf" compare="sim_size" delta="5700" ftype="mgf"/> | |
10840 <param name="output_type" value="full_spectra"/> | |
10841 <param name="precursor_mz_tolerance" value="0.0001"/> | |
10842 <param name="precursor_rt_tolerance" value="5.0"/> | |
10843 <section name="merged_spectra"> | |
10844 <param name="cos_similarity" value="0.95"/> | |
10845 </section> | |
10846 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10847 <output name="ctd_out" ftype="xml"> | |
10848 <assert_contents> | |
10849 <is_valid_xml/> | |
10850 </assert_contents> | |
10851 </output> | |
10852 </test> | |
10853 </xml> | |
10854 <xml name="autotest_HighResPrecursorMassCorrector"> | |
10855 <test expect_num_outputs="2"> | |
10856 <conditional name="adv_opts_cond"> | |
10857 <param name="adv_opts_selector" value="advanced"/> | |
10858 <param name="force" value="false"/> | |
10859 <param name="test" value="true"/> | |
10860 </conditional> | |
10861 <param name="in" value="HighResPrecursorMassCorrector_2860_1103_3.mzML"/> | |
10862 <output name="out" file="HighResPrecursorMassCorrector_2860_1103_3_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10863 <section name="feature"> | |
10864 <param name="in" value="HighResPrecursorMassCorrector_2860_1103_3.featureXML"/> | |
10865 <param name="mz_tolerance" value="5.0"/> | |
10866 <param name="mz_tolerance_unit" value="ppm"/> | |
10867 <param name="rt_tolerance" value="0.0"/> | |
10868 <param name="max_trace" value="2"/> | |
10869 <param name="believe_charge" value="false"/> | |
10870 <param name="keep_original" value="false"/> | |
10871 <param name="assign_all_matching" value="false"/> | |
10872 </section> | |
10873 <section name="nearest_peak"> | |
10874 <param name="mz_tolerance" value="0.0"/> | |
10875 <param name="mz_tolerance_unit" value="ppm"/> | |
10876 </section> | |
10877 <section name="highest_intensity_peak"> | |
10878 <param name="mz_tolerance" value="0.0"/> | |
10879 <param name="mz_tolerance_unit" value="ppm"/> | |
10880 </section> | |
10881 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10882 <output name="ctd_out" ftype="xml"> | |
10883 <assert_contents> | |
10884 <is_valid_xml/> | |
10885 </assert_contents> | |
10886 </output> | |
10887 </test> | |
10888 <test expect_num_outputs="2"> | |
10889 <conditional name="adv_opts_cond"> | |
10890 <param name="adv_opts_selector" value="advanced"/> | |
10891 <param name="force" value="false"/> | |
10892 <param name="test" value="true"/> | |
10893 </conditional> | |
10894 <param name="in" value="HighResPrecursorMassCorrector_1035_1178_4.mzML"/> | |
10895 <output name="out" file="HighResPrecursorMassCorrector_1035_1178_4_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10896 <section name="feature"> | |
10897 <param name="in" value="HighResPrecursorMassCorrector_1035_1178_4.featureXML"/> | |
10898 <param name="mz_tolerance" value="10.0"/> | |
10899 <param name="mz_tolerance_unit" value="ppm"/> | |
10900 <param name="rt_tolerance" value="0.0"/> | |
10901 <param name="max_trace" value="4"/> | |
10902 <param name="believe_charge" value="false"/> | |
10903 <param name="keep_original" value="false"/> | |
10904 <param name="assign_all_matching" value="false"/> | |
10905 </section> | |
10906 <section name="nearest_peak"> | |
10907 <param name="mz_tolerance" value="0.0"/> | |
10908 <param name="mz_tolerance_unit" value="ppm"/> | |
10909 </section> | |
10910 <section name="highest_intensity_peak"> | |
10911 <param name="mz_tolerance" value="0.0"/> | |
10912 <param name="mz_tolerance_unit" value="ppm"/> | |
10913 </section> | |
10914 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10915 <output name="ctd_out" ftype="xml"> | |
10916 <assert_contents> | |
10917 <is_valid_xml/> | |
10918 </assert_contents> | |
10919 </output> | |
10920 </test> | |
10921 <test expect_num_outputs="2"> | |
10922 <conditional name="adv_opts_cond"> | |
10923 <param name="adv_opts_selector" value="advanced"/> | |
10924 <param name="force" value="false"/> | |
10925 <param name="test" value="true"/> | |
10926 </conditional> | |
10927 <param name="in" value="HighResPrecursorMassCorrector_2538_1091_2.mzML"/> | |
10928 <output name="out" file="HighResPrecursorMassCorrector_2538_1091_2_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10929 <section name="feature"> | |
10930 <param name="in" value="HighResPrecursorMassCorrector_2538_1091_2.featureXML"/> | |
10931 <param name="mz_tolerance" value="5.0"/> | |
10932 <param name="mz_tolerance_unit" value="ppm"/> | |
10933 <param name="rt_tolerance" value="0.0"/> | |
10934 <param name="max_trace" value="2"/> | |
10935 <param name="believe_charge" value="false"/> | |
10936 <param name="keep_original" value="false"/> | |
10937 <param name="assign_all_matching" value="false"/> | |
10938 </section> | |
10939 <section name="nearest_peak"> | |
10940 <param name="mz_tolerance" value="0.0"/> | |
10941 <param name="mz_tolerance_unit" value="ppm"/> | |
10942 </section> | |
10943 <section name="highest_intensity_peak"> | |
10944 <param name="mz_tolerance" value="0.0"/> | |
10945 <param name="mz_tolerance_unit" value="ppm"/> | |
10946 </section> | |
10947 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10948 <output name="ctd_out" ftype="xml"> | |
10949 <assert_contents> | |
10950 <is_valid_xml/> | |
10951 </assert_contents> | |
10952 </output> | |
10953 </test> | |
10954 <test expect_num_outputs="2"> | |
10955 <conditional name="adv_opts_cond"> | |
10956 <param name="adv_opts_selector" value="advanced"/> | |
10957 <param name="force" value="false"/> | |
10958 <param name="test" value="true"/> | |
10959 </conditional> | |
10960 <param name="in" value="HighResPrecursorMassCorrector_2810_1091_3.mzML"/> | |
10961 <output name="out" file="HighResPrecursorMassCorrector_2810_1091_3_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10962 <section name="feature"> | |
10963 <param name="in" value="HighResPrecursorMassCorrector_2810_1091_3.featureXML"/> | |
10964 <param name="mz_tolerance" value="5.0"/> | |
10965 <param name="mz_tolerance_unit" value="ppm"/> | |
10966 <param name="rt_tolerance" value="0.0"/> | |
10967 <param name="max_trace" value="2"/> | |
10968 <param name="believe_charge" value="false"/> | |
10969 <param name="keep_original" value="false"/> | |
10970 <param name="assign_all_matching" value="false"/> | |
10971 </section> | |
10972 <section name="nearest_peak"> | |
10973 <param name="mz_tolerance" value="0.0"/> | |
10974 <param name="mz_tolerance_unit" value="ppm"/> | |
10975 </section> | |
10976 <section name="highest_intensity_peak"> | |
10977 <param name="mz_tolerance" value="0.0"/> | |
10978 <param name="mz_tolerance_unit" value="ppm"/> | |
10979 </section> | |
10980 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
10981 <output name="ctd_out" ftype="xml"> | |
10982 <assert_contents> | |
10983 <is_valid_xml/> | |
10984 </assert_contents> | |
10985 </output> | |
10986 </test> | |
10987 <test expect_num_outputs="2"> | |
10988 <conditional name="adv_opts_cond"> | |
10989 <param name="adv_opts_selector" value="advanced"/> | |
10990 <param name="force" value="false"/> | |
10991 <param name="test" value="true"/> | |
10992 </conditional> | |
10993 <param name="in" value="HighResPrecursorMassCorrector_3070_1191_3.mzML"/> | |
10994 <output name="out" file="HighResPrecursorMassCorrector_3070_1191_3_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
10995 <section name="feature"> | |
10996 <param name="in" value="HighResPrecursorMassCorrector_3070_1191_3.featureXML"/> | |
10997 <param name="mz_tolerance" value="5.0"/> | |
10998 <param name="mz_tolerance_unit" value="ppm"/> | |
10999 <param name="rt_tolerance" value="0.0"/> | |
11000 <param name="max_trace" value="2"/> | |
11001 <param name="believe_charge" value="false"/> | |
11002 <param name="keep_original" value="false"/> | |
11003 <param name="assign_all_matching" value="false"/> | |
11004 </section> | |
11005 <section name="nearest_peak"> | |
11006 <param name="mz_tolerance" value="0.0"/> | |
11007 <param name="mz_tolerance_unit" value="ppm"/> | |
11008 </section> | |
11009 <section name="highest_intensity_peak"> | |
11010 <param name="mz_tolerance" value="0.0"/> | |
11011 <param name="mz_tolerance_unit" value="ppm"/> | |
11012 </section> | |
11013 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11014 <output name="ctd_out" ftype="xml"> | |
11015 <assert_contents> | |
11016 <is_valid_xml/> | |
11017 </assert_contents> | |
11018 </output> | |
11019 </test> | |
11020 <test expect_num_outputs="2"> | |
11021 <conditional name="adv_opts_cond"> | |
11022 <param name="adv_opts_selector" value="advanced"/> | |
11023 <param name="force" value="false"/> | |
11024 <param name="test" value="true"/> | |
11025 </conditional> | |
11026 <param name="in" value="HighResPrecursorMassCorrector_6.mzML"/> | |
11027 <output name="out" file="HighResPrecursorMassCorrector_6_out.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
11028 <section name="feature"> | |
11029 <param name="mz_tolerance" value="5.0"/> | |
11030 <param name="mz_tolerance_unit" value="ppm"/> | |
11031 <param name="rt_tolerance" value="0.0"/> | |
11032 <param name="max_trace" value="2"/> | |
11033 <param name="believe_charge" value="false"/> | |
11034 <param name="keep_original" value="false"/> | |
11035 <param name="assign_all_matching" value="false"/> | |
11036 </section> | |
11037 <section name="nearest_peak"> | |
11038 <param name="mz_tolerance" value="0.0"/> | |
11039 <param name="mz_tolerance_unit" value="ppm"/> | |
11040 </section> | |
11041 <section name="highest_intensity_peak"> | |
11042 <param name="mz_tolerance" value="0.2"/> | |
11043 <param name="mz_tolerance_unit" value="ppm"/> | |
11044 </section> | |
11045 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11046 <output name="ctd_out" ftype="xml"> | |
11047 <assert_contents> | |
11048 <is_valid_xml/> | |
11049 </assert_contents> | |
11050 </output> | |
11051 </test> | |
11052 </xml> | |
11053 <xml name="autotest_IDConflictResolver"> | |
11054 <test expect_num_outputs="2"> | |
11055 <conditional name="adv_opts_cond"> | |
11056 <param name="adv_opts_selector" value="advanced"/> | |
11057 <param name="force" value="false"/> | |
11058 <param name="test" value="true"/> | |
11059 </conditional> | |
11060 <param name="in" value="IDConflictResolver_1_input.featureXML"/> | |
11061 <output name="out" file="IDConflictResolver_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
11062 <param name="resolve_between_features" value="off"/> | |
11063 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11064 <output name="ctd_out" ftype="xml"> | |
11065 <assert_contents> | |
11066 <is_valid_xml/> | |
11067 </assert_contents> | |
11068 </output> | |
11069 </test> | |
11070 <test expect_num_outputs="2"> | |
11071 <conditional name="adv_opts_cond"> | |
11072 <param name="adv_opts_selector" value="advanced"/> | |
11073 <param name="force" value="false"/> | |
11074 <param name="test" value="true"/> | |
11075 </conditional> | |
11076 <param name="in" value="IDConflictResolver_2_input.consensusXML"/> | |
11077 <output name="out" file="IDConflictResolver_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
11078 <param name="resolve_between_features" value="off"/> | |
11079 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11080 <output name="ctd_out" ftype="xml"> | |
11081 <assert_contents> | |
11082 <is_valid_xml/> | |
11083 </assert_contents> | |
11084 </output> | |
11085 </test> | |
11086 <test expect_num_outputs="2"> | |
11087 <conditional name="adv_opts_cond"> | |
11088 <param name="adv_opts_selector" value="advanced"/> | |
11089 <param name="force" value="false"/> | |
11090 <param name="test" value="true"/> | |
11091 </conditional> | |
11092 <param name="in" value="IDConflictResolver_3_input.consensusXML"/> | |
11093 <output name="out" file="IDConflictResolver_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
11094 <param name="resolve_between_features" value="off"/> | |
11095 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11096 <output name="ctd_out" ftype="xml"> | |
11097 <assert_contents> | |
11098 <is_valid_xml/> | |
11099 </assert_contents> | |
11100 </output> | |
11101 </test> | |
11102 <test expect_num_outputs="2"> | |
11103 <conditional name="adv_opts_cond"> | |
11104 <param name="adv_opts_selector" value="advanced"/> | |
11105 <param name="force" value="false"/> | |
11106 <param name="test" value="true"/> | |
11107 </conditional> | |
11108 <param name="in" value="IDConflictResolver_4_input.featureXML"/> | |
11109 <output name="out" file="IDConflictResolver_4_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
11110 <param name="resolve_between_features" value="highest_intensity"/> | |
11111 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11112 <output name="ctd_out" ftype="xml"> | |
11113 <assert_contents> | |
11114 <is_valid_xml/> | |
11115 </assert_contents> | |
11116 </output> | |
11117 </test> | |
11118 </xml> | |
11119 <xml name="autotest_IDExtractor"> | |
11120 </xml> | |
11121 <xml name="autotest_IDFileConverter"> | |
11122 <test expect_num_outputs="2"> | |
11123 <conditional name="adv_opts_cond"> | |
11124 <param name="adv_opts_selector" value="advanced"/> | |
11125 <param name="ignore_proteins_per_peptide" value="false"/> | |
11126 <param name="scan_regex" value=""/> | |
11127 <param name="no_spectra_data_override" value="false"/> | |
11128 <param name="no_spectra_references_override" value="false"/> | |
11129 <param name="add_ionmatch_annotation" value="0.0"/> | |
11130 <param name="force" value="false"/> | |
11131 <param name="test" value="true"/> | |
11132 </conditional> | |
11133 <param name="in" value="IDFileConverter_1_input1.mascotXML"/> | |
11134 <output name="out" file="IDFileConverter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11135 <param name="out_type" value="idXML"/> | |
11136 <param name="mz_file" value="IDFileConverter_1_input2.mzML"/> | |
11137 <param name="mz_name" value=""/> | |
11138 <param name="peptideprophet_analyzed" value="false"/> | |
11139 <param name="score_type" value="qvalue"/> | |
11140 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11141 <output name="ctd_out" ftype="xml"> | |
11142 <assert_contents> | |
11143 <is_valid_xml/> | |
11144 </assert_contents> | |
11145 </output> | |
11146 </test> | |
11147 <test expect_num_outputs="2"> | |
11148 <conditional name="adv_opts_cond"> | |
11149 <param name="adv_opts_selector" value="advanced"/> | |
11150 <param name="ignore_proteins_per_peptide" value="false"/> | |
11151 <param name="scan_regex" value=""/> | |
11152 <param name="no_spectra_data_override" value="false"/> | |
11153 <param name="no_spectra_references_override" value="false"/> | |
11154 <param name="add_ionmatch_annotation" value="0.0"/> | |
11155 <param name="force" value="false"/> | |
11156 <param name="test" value="true"/> | |
11157 </conditional> | |
11158 <param name="in" value="PepXMLFile_test.pepxml"/> | |
11159 <output name="out" file="IDFileConverter_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11160 <param name="out_type" value="idXML"/> | |
11161 <param name="mz_file" value="PepXMLFile_test.mzML"/> | |
11162 <param name="mz_name" value="PepXMLFile_test"/> | |
11163 <param name="peptideprophet_analyzed" value="false"/> | |
11164 <param name="score_type" value="qvalue"/> | |
11165 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11166 <output name="ctd_out" ftype="xml"> | |
11167 <assert_contents> | |
11168 <is_valid_xml/> | |
11169 </assert_contents> | |
11170 </output> | |
11171 </test> | |
11172 <test expect_num_outputs="2"> | |
11173 <conditional name="adv_opts_cond"> | |
11174 <param name="adv_opts_selector" value="advanced"/> | |
11175 <param name="ignore_proteins_per_peptide" value="false"/> | |
11176 <param name="scan_regex" value=""/> | |
11177 <param name="no_spectra_data_override" value="false"/> | |
11178 <param name="no_spectra_references_override" value="false"/> | |
11179 <param name="add_ionmatch_annotation" value="0.0"/> | |
11180 <param name="force" value="false"/> | |
11181 <param name="test" value="true"/> | |
11182 </conditional> | |
11183 <param name="in" value="IDFileConverter_3_input.protXML"/> | |
11184 <output name="out" file="IDFileConverter_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11185 <param name="out_type" value="idXML"/> | |
11186 <param name="mz_name" value=""/> | |
11187 <param name="peptideprophet_analyzed" value="false"/> | |
11188 <param name="score_type" value="qvalue"/> | |
11189 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11190 <output name="ctd_out" ftype="xml"> | |
11191 <assert_contents> | |
11192 <is_valid_xml/> | |
11193 </assert_contents> | |
11194 </output> | |
11195 </test> | |
11196 <test expect_num_outputs="2"> | |
11197 <conditional name="adv_opts_cond"> | |
11198 <param name="adv_opts_selector" value="advanced"/> | |
11199 <param name="ignore_proteins_per_peptide" value="false"/> | |
11200 <param name="scan_regex" value="scan=(?<SCAN>\d+)"/> | |
11201 <param name="no_spectra_data_override" value="false"/> | |
11202 <param name="no_spectra_references_override" value="false"/> | |
11203 <param name="add_ionmatch_annotation" value="0.0"/> | |
11204 <param name="force" value="false"/> | |
11205 <param name="test" value="true"/> | |
11206 </conditional> | |
11207 <param name="in" value="IDFileConverter_1_input1.mascotXML"/> | |
11208 <output name="out" file="IDFileConverter_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11209 <param name="out_type" value="idXML"/> | |
11210 <param name="mz_file" value="IDFileConverter_1_input2.mzML"/> | |
11211 <param name="mz_name" value=""/> | |
11212 <param name="peptideprophet_analyzed" value="false"/> | |
11213 <param name="score_type" value="qvalue"/> | |
11214 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11215 <output name="ctd_out" ftype="xml"> | |
11216 <assert_contents> | |
11217 <is_valid_xml/> | |
11218 </assert_contents> | |
11219 </output> | |
11220 </test> | |
11221 <test expect_num_outputs="2"> | |
11222 <conditional name="adv_opts_cond"> | |
11223 <param name="adv_opts_selector" value="advanced"/> | |
11224 <param name="ignore_proteins_per_peptide" value="false"/> | |
11225 <param name="scan_regex" value=""/> | |
11226 <param name="no_spectra_data_override" value="false"/> | |
11227 <param name="no_spectra_references_override" value="false"/> | |
11228 <param name="add_ionmatch_annotation" value="0.0"/> | |
11229 <param name="force" value="false"/> | |
11230 <param name="test" value="true"/> | |
11231 </conditional> | |
11232 <param name="in" value="IDFileConverter_6_input1.pepXML"/> | |
11233 <output name="out" file="IDFileConverter_6_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11234 <param name="out_type" value="idXML"/> | |
11235 <param name="mz_file" value="IDFileConverter_1_input2.mzML"/> | |
11236 <param name="mz_name" value="F025589.dat.mzML"/> | |
11237 <param name="peptideprophet_analyzed" value="false"/> | |
11238 <param name="score_type" value="qvalue"/> | |
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="ignore_proteins_per_peptide" value="false"/> | |
11250 <param name="scan_regex" value=""/> | |
11251 <param name="no_spectra_data_override" value="false"/> | |
11252 <param name="no_spectra_references_override" value="false"/> | |
11253 <param name="add_ionmatch_annotation" value="0.0"/> | |
11254 <param name="force" value="false"/> | |
11255 <param name="test" value="true"/> | |
11256 </conditional> | |
11257 <param name="in" value="IDFileConverter_7_input1.xml"/> | |
11258 <output name="out" file="IDFileConverter_7_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11259 <param name="out_type" value="idXML"/> | |
11260 <param name="mz_name" value=""/> | |
11261 <param name="peptideprophet_analyzed" value="false"/> | |
11262 <param name="score_type" value="qvalue"/> | |
11263 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11264 <output name="ctd_out" ftype="xml"> | |
11265 <assert_contents> | |
11266 <is_valid_xml/> | |
11267 </assert_contents> | |
11268 </output> | |
11269 </test> | |
11270 <test expect_num_outputs="2"> | |
11271 <conditional name="adv_opts_cond"> | |
11272 <param name="adv_opts_selector" value="advanced"/> | |
11273 <param name="ignore_proteins_per_peptide" value="false"/> | |
11274 <param name="scan_regex" value=""/> | |
11275 <param name="no_spectra_data_override" value="false"/> | |
11276 <param name="no_spectra_references_override" value="false"/> | |
11277 <param name="add_ionmatch_annotation" value="0.0"/> | |
11278 <param name="force" value="false"/> | |
11279 <param name="test" value="true"/> | |
11280 </conditional> | |
11281 <param name="in" value="IDFileConverter_8_input.mzid"/> | |
11282 <output name="out" file="IDFileConverter_8_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11283 <param name="out_type" value="idXML"/> | |
11284 <param name="mz_name" value=""/> | |
11285 <param name="peptideprophet_analyzed" value="false"/> | |
11286 <param name="score_type" value="qvalue"/> | |
11287 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11288 <output name="ctd_out" ftype="xml"> | |
11289 <assert_contents> | |
11290 <is_valid_xml/> | |
11291 </assert_contents> | |
11292 </output> | |
11293 </test> | |
11294 <test expect_num_outputs="2"> | |
11295 <conditional name="adv_opts_cond"> | |
11296 <param name="adv_opts_selector" value="advanced"/> | |
11297 <param name="ignore_proteins_per_peptide" value="false"/> | |
11298 <param name="scan_regex" value=""/> | |
11299 <param name="no_spectra_data_override" value="false"/> | |
11300 <param name="no_spectra_references_override" value="false"/> | |
11301 <param name="add_ionmatch_annotation" value="0.0"/> | |
11302 <param name="force" value="false"/> | |
11303 <param name="test" value="true"/> | |
11304 </conditional> | |
11305 <param name="in" value="IDFileConverter_9_input.idXML"/> | |
11306 <output name="out" file="IDFileConverter_9_output.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
11307 <param name="out_type" value="mzid"/> | |
11308 <param name="mz_name" value=""/> | |
11309 <param name="peptideprophet_analyzed" value="false"/> | |
11310 <param name="score_type" value="qvalue"/> | |
11311 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11312 <output name="ctd_out" ftype="xml"> | |
11313 <assert_contents> | |
11314 <is_valid_xml/> | |
11315 </assert_contents> | |
11316 </output> | |
11317 </test> | |
11318 <test expect_num_outputs="2"> | |
11319 <conditional name="adv_opts_cond"> | |
11320 <param name="adv_opts_selector" value="advanced"/> | |
11321 <param name="ignore_proteins_per_peptide" value="false"/> | |
11322 <param name="scan_regex" value=""/> | |
11323 <param name="no_spectra_data_override" value="false"/> | |
11324 <param name="no_spectra_references_override" value="false"/> | |
11325 <param name="add_ionmatch_annotation" value="0.0"/> | |
11326 <param name="force" value="false"/> | |
11327 <param name="test" value="true"/> | |
11328 </conditional> | |
11329 <param name="in" value="IDFileConverter_10_input.pepXML"/> | |
11330 <output name="out" file="IDFileConverter_10_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11331 <param name="out_type" value="idXML"/> | |
11332 <param name="mz_name" value=""/> | |
11333 <param name="peptideprophet_analyzed" value="false"/> | |
11334 <param name="score_type" value="qvalue"/> | |
11335 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11336 <output name="ctd_out" ftype="xml"> | |
11337 <assert_contents> | |
11338 <is_valid_xml/> | |
11339 </assert_contents> | |
11340 </output> | |
11341 </test> | |
11342 <test expect_num_outputs="2"> | |
11343 <conditional name="adv_opts_cond"> | |
11344 <param name="adv_opts_selector" value="advanced"/> | |
11345 <param name="ignore_proteins_per_peptide" value="false"/> | |
11346 <param name="scan_regex" value=""/> | |
11347 <param name="no_spectra_data_override" value="false"/> | |
11348 <param name="no_spectra_references_override" value="false"/> | |
11349 <param name="add_ionmatch_annotation" value="0.0"/> | |
11350 <param name="force" value="false"/> | |
11351 <param name="test" value="true"/> | |
11352 </conditional> | |
11353 <param name="in" value="IDFileConverter_11_input.tsv" ftype="tabular"/> | |
11354 <output name="out" file="IDFileConverter_11_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11355 <param name="out_type" value="idXML"/> | |
11356 <param name="mz_name" value=""/> | |
11357 <param name="peptideprophet_analyzed" value="false"/> | |
11358 <param name="score_type" value="qvalue"/> | |
11359 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11360 <output name="ctd_out" ftype="xml"> | |
11361 <assert_contents> | |
11362 <is_valid_xml/> | |
11363 </assert_contents> | |
11364 </output> | |
11365 </test> | |
11366 <test expect_num_outputs="2"> | |
11367 <conditional name="adv_opts_cond"> | |
11368 <param name="adv_opts_selector" value="advanced"/> | |
11369 <param name="ignore_proteins_per_peptide" value="false"/> | |
11370 <param name="scan_regex" value=""/> | |
11371 <param name="no_spectra_data_override" value="false"/> | |
11372 <param name="no_spectra_references_override" value="false"/> | |
11373 <param name="add_ionmatch_annotation" value="0.0"/> | |
11374 <param name="force" value="false"/> | |
11375 <param name="test" value="true"/> | |
11376 </conditional> | |
11377 <param name="in" value="IDFileConverter_12_input.psms"/> | |
11378 <output name="out" file="IDFileConverter_12_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11379 <param name="out_type" value="idXML"/> | |
11380 <param name="mz_name" value=""/> | |
11381 <param name="peptideprophet_analyzed" value="false"/> | |
11382 <param name="score_type" value="qvalue"/> | |
11383 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11384 <output name="ctd_out" ftype="xml"> | |
11385 <assert_contents> | |
11386 <is_valid_xml/> | |
11387 </assert_contents> | |
11388 </output> | |
11389 </test> | |
11390 <test expect_num_outputs="2"> | |
11391 <conditional name="adv_opts_cond"> | |
11392 <param name="adv_opts_selector" value="advanced"/> | |
11393 <param name="ignore_proteins_per_peptide" value="false"/> | |
11394 <param name="scan_regex" value=""/> | |
11395 <param name="no_spectra_data_override" value="false"/> | |
11396 <param name="no_spectra_references_override" value="false"/> | |
11397 <param name="add_ionmatch_annotation" value="0.0"/> | |
11398 <param name="force" value="false"/> | |
11399 <param name="test" value="true"/> | |
11400 </conditional> | |
11401 <param name="in" value="IDFileConverter_12_input.psms"/> | |
11402 <output name="out" file="IDFileConverter_13_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11403 <param name="out_type" value="idXML"/> | |
11404 <param name="mz_name" value=""/> | |
11405 <param name="peptideprophet_analyzed" value="false"/> | |
11406 <param name="score_type" value="PEP"/> | |
11407 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11408 <output name="ctd_out" ftype="xml"> | |
11409 <assert_contents> | |
11410 <is_valid_xml/> | |
11411 </assert_contents> | |
11412 </output> | |
11413 </test> | |
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="force" value="false"/> | |
11423 <param name="test" value="true"/> | |
11424 </conditional> | |
11425 <param name="in" value="IDFileConverter_12_input.psms"/> | |
11426 <output name="out" file="IDFileConverter_14_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11427 <param name="out_type" value="idXML"/> | |
11428 <param name="mz_name" value=""/> | |
11429 <param name="peptideprophet_analyzed" value="false"/> | |
11430 <param name="score_type" value="score"/> | |
11431 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11432 <output name="ctd_out" ftype="xml"> | |
11433 <assert_contents> | |
11434 <is_valid_xml/> | |
11435 </assert_contents> | |
11436 </output> | |
11437 </test> | |
11438 <test expect_num_outputs="2"> | |
11439 <conditional name="adv_opts_cond"> | |
11440 <param name="adv_opts_selector" value="advanced"/> | |
11441 <param name="ignore_proteins_per_peptide" value="false"/> | |
11442 <param name="scan_regex" value=""/> | |
11443 <param name="no_spectra_data_override" value="false"/> | |
11444 <param name="no_spectra_references_override" value="false"/> | |
11445 <param name="add_ionmatch_annotation" value="0.0"/> | |
11446 <param name="force" value="false"/> | |
11447 <param name="test" value="true"/> | |
11448 </conditional> | |
11449 <param name="in" value="MSGFPlusAdapter_1_out.mzid"/> | |
11450 <output name="out" file="IDFileConverter_15_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11451 <param name="out_type" value="idXML"/> | |
11452 <param name="mz_file" value="spectra.mzML"/> | |
11453 <param name="mz_name" value=""/> | |
11454 <param name="peptideprophet_analyzed" value="false"/> | |
11455 <param name="score_type" value="qvalue"/> | |
11456 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11457 <output name="ctd_out" ftype="xml"> | |
11458 <assert_contents> | |
11459 <is_valid_xml/> | |
11460 </assert_contents> | |
11461 </output> | |
11462 </test> | |
11463 <test expect_num_outputs="2"> | |
11464 <conditional name="adv_opts_cond"> | |
11465 <param name="adv_opts_selector" value="advanced"/> | |
11466 <param name="ignore_proteins_per_peptide" value="false"/> | |
11467 <param name="scan_regex" value=""/> | |
11468 <param name="no_spectra_data_override" value="false"/> | |
11469 <param name="no_spectra_references_override" value="false"/> | |
11470 <param name="add_ionmatch_annotation" value="0.0"/> | |
11471 <param name="force" value="false"/> | |
11472 <param name="test" value="true"/> | |
11473 </conditional> | |
11474 <param name="in" value="IDFileConverter_16_input.pepXML"/> | |
11475 <output name="out" file="IDFileConverter_16_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11476 <param name="out_type" value="idXML"/> | |
11477 <param name="mz_name" value=""/> | |
11478 <param name="peptideprophet_analyzed" value="false"/> | |
11479 <param name="score_type" value="qvalue"/> | |
11480 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11481 <output name="ctd_out" ftype="xml"> | |
11482 <assert_contents> | |
11483 <is_valid_xml/> | |
11484 </assert_contents> | |
11485 </output> | |
11486 </test> | |
11487 <test expect_num_outputs="2"> | |
11488 <conditional name="adv_opts_cond"> | |
11489 <param name="adv_opts_selector" value="advanced"/> | |
11490 <param name="ignore_proteins_per_peptide" value="false"/> | |
11491 <param name="scan_regex" value=""/> | |
11492 <param name="no_spectra_data_override" value="false"/> | |
11493 <param name="no_spectra_references_override" value="false"/> | |
11494 <param name="add_ionmatch_annotation" value="0.0"/> | |
11495 <param name="force" value="false"/> | |
11496 <param name="test" value="true"/> | |
11497 </conditional> | |
11498 <param name="in" value="IDFileConverter_17_input.idXML"/> | |
11499 <output name="out" file="IDFileConverter_17_output.pepXML" compare="sim_size" delta="5700" ftype="pepxml"/> | |
11500 <param name="out_type" value="pepXML"/> | |
11501 <param name="mz_name" value=""/> | |
11502 <param name="peptideprophet_analyzed" value="false"/> | |
11503 <param name="score_type" value="qvalue"/> | |
11504 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11505 <output name="ctd_out" ftype="xml"> | |
11506 <assert_contents> | |
11507 <is_valid_xml/> | |
11508 </assert_contents> | |
11509 </output> | |
11510 </test> | |
11511 <test expect_num_outputs="2"> | |
11512 <conditional name="adv_opts_cond"> | |
11513 <param name="adv_opts_selector" value="advanced"/> | |
11514 <param name="ignore_proteins_per_peptide" value="false"/> | |
11515 <param name="scan_regex" value=""/> | |
11516 <param name="no_spectra_data_override" value="false"/> | |
11517 <param name="no_spectra_references_override" value="false"/> | |
11518 <param name="add_ionmatch_annotation" value="0.0"/> | |
11519 <param name="force" value="false"/> | |
11520 <param name="test" value="true"/> | |
11521 </conditional> | |
11522 <param name="in" value="IDFileConverter_18_input.idXML"/> | |
11523 <output name="out" file="IDFileConverter_18_output.pepXML" compare="sim_size" delta="5700" ftype="pepxml"/> | |
11524 <param name="out_type" value="pepXML"/> | |
11525 <param name="mz_name" value=""/> | |
11526 <param name="peptideprophet_analyzed" value="false"/> | |
11527 <param name="score_type" value="qvalue"/> | |
11528 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11529 <output name="ctd_out" ftype="xml"> | |
11530 <assert_contents> | |
11531 <is_valid_xml/> | |
11532 </assert_contents> | |
11533 </output> | |
11534 </test> | |
11535 <test expect_num_outputs="2"> | |
11536 <conditional name="adv_opts_cond"> | |
11537 <param name="adv_opts_selector" value="advanced"/> | |
11538 <param name="ignore_proteins_per_peptide" value="false"/> | |
11539 <param name="scan_regex" value=""/> | |
11540 <param name="no_spectra_data_override" value="false"/> | |
11541 <param name="no_spectra_references_override" value="false"/> | |
11542 <param name="add_ionmatch_annotation" value="0.0"/> | |
11543 <param name="force" value="false"/> | |
11544 <param name="test" value="true"/> | |
11545 </conditional> | |
11546 <param name="in" value="IDFileConverter_19_input.idXML"/> | |
11547 <output name="out" file="IDFileConverter_19_output.pepXML" compare="sim_size" delta="5700" ftype="pepxml"/> | |
11548 <param name="out_type" value="pepXML"/> | |
11549 <param name="mz_name" value=""/> | |
11550 <param name="peptideprophet_analyzed" value="false"/> | |
11551 <param name="score_type" value="qvalue"/> | |
11552 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11553 <output name="ctd_out" ftype="xml"> | |
11554 <assert_contents> | |
11555 <is_valid_xml/> | |
11556 </assert_contents> | |
11557 </output> | |
11558 </test> | |
11559 <test expect_num_outputs="2"> | |
11560 <conditional name="adv_opts_cond"> | |
11561 <param name="adv_opts_selector" value="advanced"/> | |
11562 <param name="ignore_proteins_per_peptide" value="false"/> | |
11563 <param name="scan_regex" value=""/> | |
11564 <param name="no_spectra_data_override" value="false"/> | |
11565 <param name="no_spectra_references_override" value="false"/> | |
11566 <param name="add_ionmatch_annotation" value="0.0"/> | |
11567 <param name="force" value="false"/> | |
11568 <param name="test" value="true"/> | |
11569 </conditional> | |
11570 <param name="in" value="IDFileConverter_20_input.idXML"/> | |
11571 <output name="out" file="IDFileConverter_20_output.pepXML" compare="sim_size" delta="5700" ftype="pepxml"/> | |
11572 <param name="out_type" value="pepXML"/> | |
11573 <param name="mz_name" value=""/> | |
11574 <param name="peptideprophet_analyzed" value="false"/> | |
11575 <param name="score_type" value="qvalue"/> | |
11576 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11577 <output name="ctd_out" ftype="xml"> | |
11578 <assert_contents> | |
11579 <is_valid_xml/> | |
11580 </assert_contents> | |
11581 </output> | |
11582 </test> | |
11583 <test expect_num_outputs="2"> | |
11584 <conditional name="adv_opts_cond"> | |
11585 <param name="adv_opts_selector" value="advanced"/> | |
11586 <param name="ignore_proteins_per_peptide" value="false"/> | |
11587 <param name="scan_regex" value=""/> | |
11588 <param name="no_spectra_data_override" value="false"/> | |
11589 <param name="no_spectra_references_override" value="false"/> | |
11590 <param name="add_ionmatch_annotation" value="0.0"/> | |
11591 <param name="force" value="false"/> | |
11592 <param name="test" value="true"/> | |
11593 </conditional> | |
11594 <param name="in" value="IDFileConverter_21_input.idXML"/> | |
11595 <output name="out" file="IDFileConverter_21_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11596 <param name="out_type" value="idXML"/> | |
11597 <param name="mz_file" value="IDMapper_4_input.mzML"/> | |
11598 <param name="mz_name" value=""/> | |
11599 <param name="peptideprophet_analyzed" value="false"/> | |
11600 <param name="score_type" value="qvalue"/> | |
11601 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11602 <output name="ctd_out" ftype="xml"> | |
11603 <assert_contents> | |
11604 <is_valid_xml/> | |
11605 </assert_contents> | |
11606 </output> | |
11607 </test> | |
11608 <test expect_num_outputs="2"> | |
11609 <conditional name="adv_opts_cond"> | |
11610 <param name="adv_opts_selector" value="advanced"/> | |
11611 <param name="ignore_proteins_per_peptide" value="false"/> | |
11612 <param name="scan_regex" value=""/> | |
11613 <param name="no_spectra_data_override" value="false"/> | |
11614 <param name="no_spectra_references_override" value="false"/> | |
11615 <param name="add_ionmatch_annotation" value="0.01"/> | |
11616 <param name="force" value="false"/> | |
11617 <param name="test" value="true"/> | |
11618 </conditional> | |
11619 <param name="in" value="MSGFPlusAdapter_1_out.mzid"/> | |
11620 <output name="out" file="IDFileConverter_22_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11621 <param name="out_type" value="idXML"/> | |
11622 <param name="mz_file" value="spectra.mzML"/> | |
11623 <param name="mz_name" value=""/> | |
11624 <param name="peptideprophet_analyzed" value="false"/> | |
11625 <param name="score_type" value="qvalue"/> | |
11626 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11627 <output name="ctd_out" ftype="xml"> | |
11628 <assert_contents> | |
11629 <is_valid_xml/> | |
11630 </assert_contents> | |
11631 </output> | |
11632 </test> | |
11633 <test expect_num_outputs="2"> | |
11634 <conditional name="adv_opts_cond"> | |
11635 <param name="adv_opts_selector" value="advanced"/> | |
11636 <param name="ignore_proteins_per_peptide" value="false"/> | |
11637 <param name="scan_regex" value=""/> | |
11638 <param name="no_spectra_data_override" value="false"/> | |
11639 <param name="no_spectra_references_override" value="false"/> | |
11640 <param name="add_ionmatch_annotation" value="0.0"/> | |
11641 <param name="force" value="false"/> | |
11642 <param name="test" value="true"/> | |
11643 </conditional> | |
11644 <param name="in" value="IDFileConverter_23_input.mzid"/> | |
11645 <output name="out" file="IDFileConverter_23_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11646 <param name="out_type" value="idXML"/> | |
11647 <param name="mz_name" value=""/> | |
11648 <param name="peptideprophet_analyzed" value="false"/> | |
11649 <param name="score_type" value="qvalue"/> | |
11650 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11651 <output name="ctd_out" ftype="xml"> | |
11652 <assert_contents> | |
11653 <is_valid_xml/> | |
11654 </assert_contents> | |
11655 </output> | |
11656 </test> | |
11657 <test expect_num_outputs="2"> | |
11658 <conditional name="adv_opts_cond"> | |
11659 <param name="adv_opts_selector" value="advanced"/> | |
11660 <param name="ignore_proteins_per_peptide" value="false"/> | |
11661 <param name="scan_regex" value=""/> | |
11662 <param name="no_spectra_data_override" value="false"/> | |
11663 <param name="no_spectra_references_override" value="false"/> | |
11664 <param name="add_ionmatch_annotation" value="0.0"/> | |
11665 <param name="force" value="false"/> | |
11666 <param name="test" value="true"/> | |
11667 </conditional> | |
11668 <param name="in" value="IDFileConverter_24_input.pep.xml"/> | |
11669 <output name="out" file="IDFileConverter_24_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11670 <param name="out_type" value="idXML"/> | |
11671 <param name="mz_name" value=""/> | |
11672 <param name="peptideprophet_analyzed" value="false"/> | |
11673 <param name="score_type" value="qvalue"/> | |
11674 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11675 <output name="ctd_out" ftype="xml"> | |
11676 <assert_contents> | |
11677 <is_valid_xml/> | |
11678 </assert_contents> | |
11679 </output> | |
11680 </test> | |
11681 <test expect_num_outputs="2"> | |
11682 <conditional name="adv_opts_cond"> | |
11683 <param name="adv_opts_selector" value="advanced"/> | |
11684 <param name="ignore_proteins_per_peptide" value="false"/> | |
11685 <param name="scan_regex" value=""/> | |
11686 <param name="no_spectra_data_override" value="false"/> | |
11687 <param name="no_spectra_references_override" value="false"/> | |
11688 <param name="add_ionmatch_annotation" value="0.0"/> | |
11689 <param name="force" value="false"/> | |
11690 <param name="test" value="true"/> | |
11691 </conditional> | |
11692 <param name="in" value="IDFileConverter_25_input.idXML"/> | |
11693 <output name="out" file="IDFileConverter_25_output.pep.xml" compare="sim_size" delta="5700" ftype="pepxml"/> | |
11694 <param name="out_type" value="pepXML"/> | |
11695 <param name="mz_name" value=""/> | |
11696 <param name="peptideprophet_analyzed" value="false"/> | |
11697 <param name="score_type" value="qvalue"/> | |
11698 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11699 <output name="ctd_out" ftype="xml"> | |
11700 <assert_contents> | |
11701 <is_valid_xml/> | |
11702 </assert_contents> | |
11703 </output> | |
11704 </test> | |
11705 <test expect_num_outputs="2"> | |
11706 <conditional name="adv_opts_cond"> | |
11707 <param name="adv_opts_selector" value="advanced"/> | |
11708 <param name="ignore_proteins_per_peptide" value="false"/> | |
11709 <param name="scan_regex" value=""/> | |
11710 <param name="no_spectra_data_override" value="false"/> | |
11711 <param name="no_spectra_references_override" value="false"/> | |
11712 <param name="add_ionmatch_annotation" value="0.0"/> | |
11713 <param name="force" value="false"/> | |
11714 <param name="test" value="true"/> | |
11715 </conditional> | |
11716 <param name="in" value="IDFileConverter_26_input.mzid"/> | |
11717 <output name="out" file="IDFileConverter_26_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11718 <param name="out_type" value="idXML"/> | |
11719 <param name="mz_name" value=""/> | |
11720 <param name="peptideprophet_analyzed" value="false"/> | |
11721 <param name="score_type" value="qvalue"/> | |
11722 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11723 <output name="ctd_out" ftype="xml"> | |
11724 <assert_contents> | |
11725 <is_valid_xml/> | |
11726 </assert_contents> | |
11727 </output> | |
11728 </test> | |
11729 </xml> | |
11730 <xml name="autotest_IDFilter"> | |
11731 <test expect_num_outputs="2"> | |
11732 <conditional name="adv_opts_cond"> | |
11733 <param name="adv_opts_selector" value="advanced"/> | |
11734 <param name="remove_duplicate_psm" value="false"/> | |
11735 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
11736 <param name="force" value="false"/> | |
11737 <param name="test" value="true"/> | |
11738 </conditional> | |
11739 <param name="in" value="IDFilter_1_input.idXML"/> | |
11740 <output name="out" file="IDFilter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11741 <param name="var_mods" value="false"/> | |
11742 <param name="remove_shared_peptides" value="false"/> | |
11743 <param name="keep_unreferenced_protein_hits" value="false"/> | |
11744 <param name="remove_decoys" value="false"/> | |
11745 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
11746 <section name="precursor"> | |
11747 <param name="rt" value=":"/> | |
11748 <param name="mz" value=":"/> | |
11749 <param name="length" value=":"/> | |
11750 <param name="charge" value=":"/> | |
11751 </section> | |
11752 <section name="score"> | |
11753 <param name="pep" value="0.0"/> | |
11754 <param name="prot" value="0.0"/> | |
11755 </section> | |
11756 <section name="whitelist"> | |
11757 <param name="proteins" value="IDFilter_1_input.fas"/> | |
11758 <param name="protein_accessions" value=""/> | |
11759 <param name="ignore_modifications" value="false"/> | |
11760 <param name="modifications" value=""/> | |
11761 </section> | |
11762 <section name="blacklist"> | |
11763 <param name="protein_accessions" value=""/> | |
11764 <param name="ignore_modifications" value="false"/> | |
11765 <param name="modifications" value=""/> | |
11766 </section> | |
11767 <section name="in_silico_digestion"> | |
11768 <param name="enzyme" value="Trypsin"/> | |
11769 <param name="specificity" value="full"/> | |
11770 <param name="missed_cleavages" value="-1"/> | |
11771 <param name="methionine_cleavage" value="false"/> | |
11772 </section> | |
11773 <section name="missed_cleavages"> | |
11774 <param name="number_of_missed_cleavages" value=":"/> | |
11775 <param name="enzyme" value="Trypsin"/> | |
11776 </section> | |
11777 <section name="rt"> | |
11778 <param name="p_value" value="0.0"/> | |
11779 <param name="p_value_1st_dim" value="0.0"/> | |
11780 </section> | |
11781 <section name="mz"> | |
11782 <param name="error" value="-1.0"/> | |
11783 <param name="unit" value="ppm"/> | |
11784 </section> | |
11785 <section name="best"> | |
11786 <param name="n_peptide_hits" value="0"/> | |
11787 <param name="n_protein_hits" value="0"/> | |
11788 <param name="strict" value="false"/> | |
11789 <param name="n_to_m_peptide_hits" value=":"/> | |
11790 </section> | |
11791 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11792 <output name="ctd_out" ftype="xml"> | |
11793 <assert_contents> | |
11794 <is_valid_xml/> | |
11795 </assert_contents> | |
11796 </output> | |
11797 </test> | |
11798 <test expect_num_outputs="2"> | |
11799 <conditional name="adv_opts_cond"> | |
11800 <param name="adv_opts_selector" value="advanced"/> | |
11801 <param name="remove_duplicate_psm" value="false"/> | |
11802 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
11803 <param name="force" value="false"/> | |
11804 <param name="test" value="true"/> | |
11805 </conditional> | |
11806 <param name="in" value="IDFilter_3_input.idXML"/> | |
11807 <output name="out" file="IDFilter_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11808 <param name="var_mods" value="false"/> | |
11809 <param name="remove_shared_peptides" value="false"/> | |
11810 <param name="keep_unreferenced_protein_hits" value="false"/> | |
11811 <param name="remove_decoys" value="false"/> | |
11812 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
11813 <section name="precursor"> | |
11814 <param name="rt" value=":"/> | |
11815 <param name="mz" value=":"/> | |
11816 <param name="length" value=":"/> | |
11817 <param name="charge" value=":"/> | |
11818 </section> | |
11819 <section name="score"> | |
11820 <param name="pep" value="0.0"/> | |
11821 <param name="prot" value="0.0"/> | |
11822 </section> | |
11823 <section name="whitelist"> | |
11824 <param name="protein_accessions" value=""/> | |
11825 <param name="ignore_modifications" value="false"/> | |
11826 <param name="modifications" value=""/> | |
11827 </section> | |
11828 <section name="blacklist"> | |
11829 <param name="protein_accessions" value=""/> | |
11830 <param name="peptides" value="IDFilter_3_2_input.idXML"/> | |
11831 <param name="ignore_modifications" value="false"/> | |
11832 <param name="modifications" value=""/> | |
11833 </section> | |
11834 <section name="in_silico_digestion"> | |
11835 <param name="enzyme" value="Trypsin"/> | |
11836 <param name="specificity" value="full"/> | |
11837 <param name="missed_cleavages" value="-1"/> | |
11838 <param name="methionine_cleavage" value="false"/> | |
11839 </section> | |
11840 <section name="missed_cleavages"> | |
11841 <param name="number_of_missed_cleavages" value=":"/> | |
11842 <param name="enzyme" value="Trypsin"/> | |
11843 </section> | |
11844 <section name="rt"> | |
11845 <param name="p_value" value="0.0"/> | |
11846 <param name="p_value_1st_dim" value="0.0"/> | |
11847 </section> | |
11848 <section name="mz"> | |
11849 <param name="error" value="-1.0"/> | |
11850 <param name="unit" value="ppm"/> | |
11851 </section> | |
11852 <section name="best"> | |
11853 <param name="n_peptide_hits" value="0"/> | |
11854 <param name="n_protein_hits" value="0"/> | |
11855 <param name="strict" value="false"/> | |
11856 <param name="n_to_m_peptide_hits" value=":"/> | |
11857 </section> | |
11858 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11859 <output name="ctd_out" ftype="xml"> | |
11860 <assert_contents> | |
11861 <is_valid_xml/> | |
11862 </assert_contents> | |
11863 </output> | |
11864 </test> | |
11865 <test expect_num_outputs="2"> | |
11866 <conditional name="adv_opts_cond"> | |
11867 <param name="adv_opts_selector" value="advanced"/> | |
11868 <param name="remove_duplicate_psm" value="false"/> | |
11869 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
11870 <param name="force" value="false"/> | |
11871 <param name="test" value="true"/> | |
11872 </conditional> | |
11873 <param name="in" value="IDFilter_4_input.idXML"/> | |
11874 <output name="out" file="IDFilter_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11875 <param name="var_mods" value="false"/> | |
11876 <param name="remove_shared_peptides" value="false"/> | |
11877 <param name="keep_unreferenced_protein_hits" value="false"/> | |
11878 <param name="remove_decoys" value="false"/> | |
11879 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
11880 <section name="precursor"> | |
11881 <param name="rt" value=":"/> | |
11882 <param name="mz" value=":"/> | |
11883 <param name="length" value=":"/> | |
11884 <param name="charge" value=":"/> | |
11885 </section> | |
11886 <section name="score"> | |
11887 <param name="pep" value="0.0"/> | |
11888 <param name="prot" value="0.0"/> | |
11889 </section> | |
11890 <section name="whitelist"> | |
11891 <param name="protein_accessions" value=""/> | |
11892 <param name="ignore_modifications" value="false"/> | |
11893 <param name="modifications" value=""/> | |
11894 </section> | |
11895 <section name="blacklist"> | |
11896 <param name="protein_accessions" value=""/> | |
11897 <param name="ignore_modifications" value="false"/> | |
11898 <param name="modifications" value=""/> | |
11899 </section> | |
11900 <section name="in_silico_digestion"> | |
11901 <param name="enzyme" value="Trypsin"/> | |
11902 <param name="specificity" value="full"/> | |
11903 <param name="missed_cleavages" value="-1"/> | |
11904 <param name="methionine_cleavage" value="false"/> | |
11905 </section> | |
11906 <section name="missed_cleavages"> | |
11907 <param name="number_of_missed_cleavages" value=":"/> | |
11908 <param name="enzyme" value="Trypsin"/> | |
11909 </section> | |
11910 <section name="rt"> | |
11911 <param name="p_value" value="0.08"/> | |
11912 <param name="p_value_1st_dim" value="0.0"/> | |
11913 </section> | |
11914 <section name="mz"> | |
11915 <param name="error" value="-1.0"/> | |
11916 <param name="unit" value="ppm"/> | |
11917 </section> | |
11918 <section name="best"> | |
11919 <param name="n_peptide_hits" value="0"/> | |
11920 <param name="n_protein_hits" value="0"/> | |
11921 <param name="strict" value="false"/> | |
11922 <param name="n_to_m_peptide_hits" value=":"/> | |
11923 </section> | |
11924 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11925 <output name="ctd_out" ftype="xml"> | |
11926 <assert_contents> | |
11927 <is_valid_xml/> | |
11928 </assert_contents> | |
11929 </output> | |
11930 </test> | |
11931 <test expect_num_outputs="2"> | |
11932 <conditional name="adv_opts_cond"> | |
11933 <param name="adv_opts_selector" value="advanced"/> | |
11934 <param name="remove_duplicate_psm" value="false"/> | |
11935 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
11936 <param name="force" value="false"/> | |
11937 <param name="test" value="true"/> | |
11938 </conditional> | |
11939 <param name="in" value="IDFilter_5_input.idXML"/> | |
11940 <output name="out" file="IDFilter_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
11941 <param name="var_mods" value="false"/> | |
11942 <param name="remove_shared_peptides" value="false"/> | |
11943 <param name="keep_unreferenced_protein_hits" value="false"/> | |
11944 <param name="remove_decoys" value="false"/> | |
11945 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
11946 <section name="precursor"> | |
11947 <param name="rt" value=":"/> | |
11948 <param name="mz" value=":"/> | |
11949 <param name="length" value=":"/> | |
11950 <param name="charge" value=":"/> | |
11951 </section> | |
11952 <section name="score"> | |
11953 <param name="pep" value="32.0"/> | |
11954 <param name="prot" value="25.0"/> | |
11955 </section> | |
11956 <section name="whitelist"> | |
11957 <param name="protein_accessions" value=""/> | |
11958 <param name="ignore_modifications" value="false"/> | |
11959 <param name="modifications" value=""/> | |
11960 </section> | |
11961 <section name="blacklist"> | |
11962 <param name="protein_accessions" value=""/> | |
11963 <param name="ignore_modifications" value="false"/> | |
11964 <param name="modifications" value=""/> | |
11965 </section> | |
11966 <section name="in_silico_digestion"> | |
11967 <param name="enzyme" value="Trypsin"/> | |
11968 <param name="specificity" value="full"/> | |
11969 <param name="missed_cleavages" value="-1"/> | |
11970 <param name="methionine_cleavage" value="false"/> | |
11971 </section> | |
11972 <section name="missed_cleavages"> | |
11973 <param name="number_of_missed_cleavages" value=":"/> | |
11974 <param name="enzyme" value="Trypsin"/> | |
11975 </section> | |
11976 <section name="rt"> | |
11977 <param name="p_value" value="0.0"/> | |
11978 <param name="p_value_1st_dim" value="0.0"/> | |
11979 </section> | |
11980 <section name="mz"> | |
11981 <param name="error" value="-1.0"/> | |
11982 <param name="unit" value="ppm"/> | |
11983 </section> | |
11984 <section name="best"> | |
11985 <param name="n_peptide_hits" value="0"/> | |
11986 <param name="n_protein_hits" value="0"/> | |
11987 <param name="strict" value="false"/> | |
11988 <param name="n_to_m_peptide_hits" value=":"/> | |
11989 </section> | |
11990 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
11991 <output name="ctd_out" ftype="xml"> | |
11992 <assert_contents> | |
11993 <is_valid_xml/> | |
11994 </assert_contents> | |
11995 </output> | |
11996 </test> | |
11997 <test expect_num_outputs="2"> | |
11998 <conditional name="adv_opts_cond"> | |
11999 <param name="adv_opts_selector" value="advanced"/> | |
12000 <param name="remove_duplicate_psm" value="false"/> | |
12001 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12002 <param name="force" value="false"/> | |
12003 <param name="test" value="true"/> | |
12004 </conditional> | |
12005 <param name="in" value="IDFilter_5_input.idXML"/> | |
12006 <output name="out" file="IDFilter_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12007 <param name="var_mods" value="false"/> | |
12008 <param name="remove_shared_peptides" value="false"/> | |
12009 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12010 <param name="remove_decoys" value="false"/> | |
12011 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12012 <section name="precursor"> | |
12013 <param name="rt" value=":"/> | |
12014 <param name="mz" value=":"/> | |
12015 <param name="length" value=":"/> | |
12016 <param name="charge" value=":"/> | |
12017 </section> | |
12018 <section name="score"> | |
12019 <param name="pep" value="32.0"/> | |
12020 <param name="prot" value="0.0"/> | |
12021 </section> | |
12022 <section name="whitelist"> | |
12023 <param name="protein_accessions" value=""/> | |
12024 <param name="ignore_modifications" value="false"/> | |
12025 <param name="modifications" value=""/> | |
12026 </section> | |
12027 <section name="blacklist"> | |
12028 <param name="protein_accessions" value=""/> | |
12029 <param name="ignore_modifications" value="false"/> | |
12030 <param name="modifications" value=""/> | |
12031 </section> | |
12032 <section name="in_silico_digestion"> | |
12033 <param name="enzyme" value="Trypsin"/> | |
12034 <param name="specificity" value="full"/> | |
12035 <param name="missed_cleavages" value="-1"/> | |
12036 <param name="methionine_cleavage" value="false"/> | |
12037 </section> | |
12038 <section name="missed_cleavages"> | |
12039 <param name="number_of_missed_cleavages" value=":"/> | |
12040 <param name="enzyme" value="Trypsin"/> | |
12041 </section> | |
12042 <section name="rt"> | |
12043 <param name="p_value" value="0.0"/> | |
12044 <param name="p_value_1st_dim" value="0.0"/> | |
12045 </section> | |
12046 <section name="mz"> | |
12047 <param name="error" value="-1.0"/> | |
12048 <param name="unit" value="ppm"/> | |
12049 </section> | |
12050 <section name="best"> | |
12051 <param name="n_peptide_hits" value="0"/> | |
12052 <param name="n_protein_hits" value="0"/> | |
12053 <param name="strict" value="false"/> | |
12054 <param name="n_to_m_peptide_hits" value=":"/> | |
12055 </section> | |
12056 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12057 <output name="ctd_out" ftype="xml"> | |
12058 <assert_contents> | |
12059 <is_valid_xml/> | |
12060 </assert_contents> | |
12061 </output> | |
12062 </test> | |
12063 <test expect_num_outputs="2"> | |
12064 <conditional name="adv_opts_cond"> | |
12065 <param name="adv_opts_selector" value="advanced"/> | |
12066 <param name="remove_duplicate_psm" value="false"/> | |
12067 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12068 <param name="force" value="false"/> | |
12069 <param name="test" value="true"/> | |
12070 </conditional> | |
12071 <param name="in" value="IDFilter_5_input.idXML"/> | |
12072 <output name="out" file="IDFilter_5b_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12073 <param name="var_mods" value="false"/> | |
12074 <param name="remove_shared_peptides" value="false"/> | |
12075 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12076 <param name="remove_decoys" value="false"/> | |
12077 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12078 <section name="precursor"> | |
12079 <param name="rt" value=":"/> | |
12080 <param name="mz" value=":"/> | |
12081 <param name="length" value=":"/> | |
12082 <param name="charge" value=":"/> | |
12083 </section> | |
12084 <section name="score"> | |
12085 <param name="pep" value="0.0"/> | |
12086 <param name="prot" value="25.0"/> | |
12087 </section> | |
12088 <section name="whitelist"> | |
12089 <param name="protein_accessions" value=""/> | |
12090 <param name="ignore_modifications" value="false"/> | |
12091 <param name="modifications" value=""/> | |
12092 </section> | |
12093 <section name="blacklist"> | |
12094 <param name="protein_accessions" value=""/> | |
12095 <param name="ignore_modifications" value="false"/> | |
12096 <param name="modifications" value=""/> | |
12097 </section> | |
12098 <section name="in_silico_digestion"> | |
12099 <param name="enzyme" value="Trypsin"/> | |
12100 <param name="specificity" value="full"/> | |
12101 <param name="missed_cleavages" value="-1"/> | |
12102 <param name="methionine_cleavage" value="false"/> | |
12103 </section> | |
12104 <section name="missed_cleavages"> | |
12105 <param name="number_of_missed_cleavages" value=":"/> | |
12106 <param name="enzyme" value="Trypsin"/> | |
12107 </section> | |
12108 <section name="rt"> | |
12109 <param name="p_value" value="0.0"/> | |
12110 <param name="p_value_1st_dim" value="0.0"/> | |
12111 </section> | |
12112 <section name="mz"> | |
12113 <param name="error" value="-1.0"/> | |
12114 <param name="unit" value="ppm"/> | |
12115 </section> | |
12116 <section name="best"> | |
12117 <param name="n_peptide_hits" value="0"/> | |
12118 <param name="n_protein_hits" value="0"/> | |
12119 <param name="strict" value="false"/> | |
12120 <param name="n_to_m_peptide_hits" value=":"/> | |
12121 </section> | |
12122 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12123 <output name="ctd_out" ftype="xml"> | |
12124 <assert_contents> | |
12125 <is_valid_xml/> | |
12126 </assert_contents> | |
12127 </output> | |
12128 </test> | |
12129 <test expect_num_outputs="2"> | |
12130 <conditional name="adv_opts_cond"> | |
12131 <param name="adv_opts_selector" value="advanced"/> | |
12132 <param name="remove_duplicate_psm" value="false"/> | |
12133 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12134 <param name="force" value="false"/> | |
12135 <param name="test" value="true"/> | |
12136 </conditional> | |
12137 <param name="in" value="IDFilter_5_input.idXML"/> | |
12138 <output name="out" file="IDFilter_5c_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12139 <param name="var_mods" value="false"/> | |
12140 <param name="remove_shared_peptides" value="false"/> | |
12141 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12142 <param name="remove_decoys" value="false"/> | |
12143 <param name="delete_unreferenced_peptide_hits" value="true"/> | |
12144 <section name="precursor"> | |
12145 <param name="rt" value=":"/> | |
12146 <param name="mz" value=":"/> | |
12147 <param name="length" value=":"/> | |
12148 <param name="charge" value=":"/> | |
12149 </section> | |
12150 <section name="score"> | |
12151 <param name="pep" value="0.0"/> | |
12152 <param name="prot" value="25.0"/> | |
12153 </section> | |
12154 <section name="whitelist"> | |
12155 <param name="protein_accessions" value=""/> | |
12156 <param name="ignore_modifications" value="false"/> | |
12157 <param name="modifications" value=""/> | |
12158 </section> | |
12159 <section name="blacklist"> | |
12160 <param name="protein_accessions" value=""/> | |
12161 <param name="ignore_modifications" value="false"/> | |
12162 <param name="modifications" value=""/> | |
12163 </section> | |
12164 <section name="in_silico_digestion"> | |
12165 <param name="enzyme" value="Trypsin"/> | |
12166 <param name="specificity" value="full"/> | |
12167 <param name="missed_cleavages" value="-1"/> | |
12168 <param name="methionine_cleavage" value="false"/> | |
12169 </section> | |
12170 <section name="missed_cleavages"> | |
12171 <param name="number_of_missed_cleavages" value=":"/> | |
12172 <param name="enzyme" value="Trypsin"/> | |
12173 </section> | |
12174 <section name="rt"> | |
12175 <param name="p_value" value="0.0"/> | |
12176 <param name="p_value_1st_dim" value="0.0"/> | |
12177 </section> | |
12178 <section name="mz"> | |
12179 <param name="error" value="-1.0"/> | |
12180 <param name="unit" value="ppm"/> | |
12181 </section> | |
12182 <section name="best"> | |
12183 <param name="n_peptide_hits" value="0"/> | |
12184 <param name="n_protein_hits" value="0"/> | |
12185 <param name="strict" value="false"/> | |
12186 <param name="n_to_m_peptide_hits" value=":"/> | |
12187 </section> | |
12188 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12189 <output name="ctd_out" ftype="xml"> | |
12190 <assert_contents> | |
12191 <is_valid_xml/> | |
12192 </assert_contents> | |
12193 </output> | |
12194 </test> | |
12195 <test expect_num_outputs="2"> | |
12196 <conditional name="adv_opts_cond"> | |
12197 <param name="adv_opts_selector" value="advanced"/> | |
12198 <param name="remove_duplicate_psm" value="false"/> | |
12199 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12200 <param name="force" value="false"/> | |
12201 <param name="test" value="true"/> | |
12202 </conditional> | |
12203 <param name="in" value="IDFilter_6_input.idXML"/> | |
12204 <output name="out" file="IDFilter_6_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12205 <param name="var_mods" value="false"/> | |
12206 <param name="remove_shared_peptides" value="false"/> | |
12207 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12208 <param name="remove_decoys" value="false"/> | |
12209 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12210 <section name="precursor"> | |
12211 <param name="rt" value=":"/> | |
12212 <param name="mz" value=":"/> | |
12213 <param name="length" value=":"/> | |
12214 <param name="charge" value=":"/> | |
12215 </section> | |
12216 <section name="score"> | |
12217 <param name="pep" value="0.0"/> | |
12218 <param name="prot" value="0.0"/> | |
12219 </section> | |
12220 <section name="whitelist"> | |
12221 <param name="protein_accessions" value=""/> | |
12222 <param name="ignore_modifications" value="false"/> | |
12223 <param name="modifications" value=""/> | |
12224 </section> | |
12225 <section name="blacklist"> | |
12226 <param name="protein_accessions" value=""/> | |
12227 <param name="ignore_modifications" value="false"/> | |
12228 <param name="modifications" value=""/> | |
12229 </section> | |
12230 <section name="in_silico_digestion"> | |
12231 <param name="enzyme" value="Trypsin"/> | |
12232 <param name="specificity" value="full"/> | |
12233 <param name="missed_cleavages" value="-1"/> | |
12234 <param name="methionine_cleavage" value="false"/> | |
12235 </section> | |
12236 <section name="missed_cleavages"> | |
12237 <param name="number_of_missed_cleavages" value=":"/> | |
12238 <param name="enzyme" value="Trypsin"/> | |
12239 </section> | |
12240 <section name="rt"> | |
12241 <param name="p_value" value="0.0"/> | |
12242 <param name="p_value_1st_dim" value="0.0"/> | |
12243 </section> | |
12244 <section name="mz"> | |
12245 <param name="error" value="-1.0"/> | |
12246 <param name="unit" value="ppm"/> | |
12247 </section> | |
12248 <section name="best"> | |
12249 <param name="n_peptide_hits" value="2"/> | |
12250 <param name="n_protein_hits" value="10"/> | |
12251 <param name="strict" value="false"/> | |
12252 <param name="n_to_m_peptide_hits" value=":"/> | |
12253 </section> | |
12254 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12255 <output name="ctd_out" ftype="xml"> | |
12256 <assert_contents> | |
12257 <is_valid_xml/> | |
12258 </assert_contents> | |
12259 </output> | |
12260 </test> | |
12261 <test expect_num_outputs="2"> | |
12262 <conditional name="adv_opts_cond"> | |
12263 <param name="adv_opts_selector" value="advanced"/> | |
12264 <param name="remove_duplicate_psm" value="true"/> | |
12265 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12266 <param name="force" value="false"/> | |
12267 <param name="test" value="true"/> | |
12268 </conditional> | |
12269 <param name="in" value="IDFilter_7_input.idXML"/> | |
12270 <output name="out" file="IDFilter_7_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12271 <param name="var_mods" value="false"/> | |
12272 <param name="remove_shared_peptides" value="false"/> | |
12273 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12274 <param name="remove_decoys" value="false"/> | |
12275 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12276 <section name="precursor"> | |
12277 <param name="rt" value=":"/> | |
12278 <param name="mz" value=":"/> | |
12279 <param name="length" value=":"/> | |
12280 <param name="charge" value=":"/> | |
12281 </section> | |
12282 <section name="score"> | |
12283 <param name="pep" value="0.0"/> | |
12284 <param name="prot" value="0.0"/> | |
12285 </section> | |
12286 <section name="whitelist"> | |
12287 <param name="protein_accessions" value=""/> | |
12288 <param name="ignore_modifications" value="false"/> | |
12289 <param name="modifications" value=""/> | |
12290 </section> | |
12291 <section name="blacklist"> | |
12292 <param name="protein_accessions" value=""/> | |
12293 <param name="ignore_modifications" value="false"/> | |
12294 <param name="modifications" value=""/> | |
12295 </section> | |
12296 <section name="in_silico_digestion"> | |
12297 <param name="enzyme" value="Trypsin"/> | |
12298 <param name="specificity" value="full"/> | |
12299 <param name="missed_cleavages" value="-1"/> | |
12300 <param name="methionine_cleavage" value="false"/> | |
12301 </section> | |
12302 <section name="missed_cleavages"> | |
12303 <param name="number_of_missed_cleavages" value=":"/> | |
12304 <param name="enzyme" value="Trypsin"/> | |
12305 </section> | |
12306 <section name="rt"> | |
12307 <param name="p_value" value="0.0"/> | |
12308 <param name="p_value_1st_dim" value="0.0"/> | |
12309 </section> | |
12310 <section name="mz"> | |
12311 <param name="error" value="-1.0"/> | |
12312 <param name="unit" value="ppm"/> | |
12313 </section> | |
12314 <section name="best"> | |
12315 <param name="n_peptide_hits" value="0"/> | |
12316 <param name="n_protein_hits" value="0"/> | |
12317 <param name="strict" value="false"/> | |
12318 <param name="n_to_m_peptide_hits" value=":"/> | |
12319 </section> | |
12320 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12321 <output name="ctd_out" ftype="xml"> | |
12322 <assert_contents> | |
12323 <is_valid_xml/> | |
12324 </assert_contents> | |
12325 </output> | |
12326 </test> | |
12327 <test expect_num_outputs="2"> | |
12328 <conditional name="adv_opts_cond"> | |
12329 <param name="adv_opts_selector" value="advanced"/> | |
12330 <param name="remove_duplicate_psm" value="false"/> | |
12331 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12332 <param name="force" value="false"/> | |
12333 <param name="test" value="true"/> | |
12334 </conditional> | |
12335 <param name="in" value="IDFilter_8_input.idXML"/> | |
12336 <output name="out" file="IDFilter_8_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12337 <param name="var_mods" value="false"/> | |
12338 <param name="remove_shared_peptides" value="false"/> | |
12339 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12340 <param name="remove_decoys" value="false"/> | |
12341 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12342 <section name="precursor"> | |
12343 <param name="rt" value="200:350"/> | |
12344 <param name="mz" value="999:1000"/> | |
12345 <param name="length" value=":"/> | |
12346 <param name="charge" value=":"/> | |
12347 </section> | |
12348 <section name="score"> | |
12349 <param name="pep" value="0.0"/> | |
12350 <param name="prot" value="0.0"/> | |
12351 </section> | |
12352 <section name="whitelist"> | |
12353 <param name="protein_accessions" value=""/> | |
12354 <param name="ignore_modifications" value="false"/> | |
12355 <param name="modifications" value=""/> | |
12356 </section> | |
12357 <section name="blacklist"> | |
12358 <param name="protein_accessions" value=""/> | |
12359 <param name="ignore_modifications" value="false"/> | |
12360 <param name="modifications" value=""/> | |
12361 </section> | |
12362 <section name="in_silico_digestion"> | |
12363 <param name="enzyme" value="Trypsin"/> | |
12364 <param name="specificity" value="full"/> | |
12365 <param name="missed_cleavages" value="-1"/> | |
12366 <param name="methionine_cleavage" value="false"/> | |
12367 </section> | |
12368 <section name="missed_cleavages"> | |
12369 <param name="number_of_missed_cleavages" value=":"/> | |
12370 <param name="enzyme" value="Trypsin"/> | |
12371 </section> | |
12372 <section name="rt"> | |
12373 <param name="p_value" value="0.0"/> | |
12374 <param name="p_value_1st_dim" value="0.0"/> | |
12375 </section> | |
12376 <section name="mz"> | |
12377 <param name="error" value="-1.0"/> | |
12378 <param name="unit" value="ppm"/> | |
12379 </section> | |
12380 <section name="best"> | |
12381 <param name="n_peptide_hits" value="0"/> | |
12382 <param name="n_protein_hits" value="0"/> | |
12383 <param name="strict" value="false"/> | |
12384 <param name="n_to_m_peptide_hits" value=":"/> | |
12385 </section> | |
12386 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12387 <output name="ctd_out" ftype="xml"> | |
12388 <assert_contents> | |
12389 <is_valid_xml/> | |
12390 </assert_contents> | |
12391 </output> | |
12392 </test> | |
12393 <test expect_num_outputs="2"> | |
12394 <conditional name="adv_opts_cond"> | |
12395 <param name="adv_opts_selector" value="advanced"/> | |
12396 <param name="remove_duplicate_psm" value="false"/> | |
12397 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12398 <param name="force" value="false"/> | |
12399 <param name="test" value="true"/> | |
12400 </conditional> | |
12401 <param name="in" value="IDFilter_9_input.idXML"/> | |
12402 <output name="out" file="IDFilter_9_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12403 <param name="var_mods" value="false"/> | |
12404 <param name="remove_shared_peptides" value="false"/> | |
12405 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12406 <param name="remove_decoys" value="false"/> | |
12407 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12408 <section name="precursor"> | |
12409 <param name="rt" value=":"/> | |
12410 <param name="mz" value=":"/> | |
12411 <param name="length" value=":"/> | |
12412 <param name="charge" value=":"/> | |
12413 </section> | |
12414 <section name="score"> | |
12415 <param name="pep" value="0.05"/> | |
12416 <param name="prot" value="0.0"/> | |
12417 </section> | |
12418 <section name="whitelist"> | |
12419 <param name="protein_accessions" value=""/> | |
12420 <param name="ignore_modifications" value="false"/> | |
12421 <param name="modifications" value=""/> | |
12422 </section> | |
12423 <section name="blacklist"> | |
12424 <param name="protein_accessions" value=""/> | |
12425 <param name="ignore_modifications" value="false"/> | |
12426 <param name="modifications" value=""/> | |
12427 </section> | |
12428 <section name="in_silico_digestion"> | |
12429 <param name="enzyme" value="Trypsin"/> | |
12430 <param name="specificity" value="full"/> | |
12431 <param name="missed_cleavages" value="-1"/> | |
12432 <param name="methionine_cleavage" value="false"/> | |
12433 </section> | |
12434 <section name="missed_cleavages"> | |
12435 <param name="number_of_missed_cleavages" value=":"/> | |
12436 <param name="enzyme" value="Trypsin"/> | |
12437 </section> | |
12438 <section name="rt"> | |
12439 <param name="p_value" value="0.0"/> | |
12440 <param name="p_value_1st_dim" value="0.0"/> | |
12441 </section> | |
12442 <section name="mz"> | |
12443 <param name="error" value="-1.0"/> | |
12444 <param name="unit" value="ppm"/> | |
12445 </section> | |
12446 <section name="best"> | |
12447 <param name="n_peptide_hits" value="0"/> | |
12448 <param name="n_protein_hits" value="0"/> | |
12449 <param name="strict" value="false"/> | |
12450 <param name="n_to_m_peptide_hits" value=":"/> | |
12451 </section> | |
12452 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12453 <output name="ctd_out" ftype="xml"> | |
12454 <assert_contents> | |
12455 <is_valid_xml/> | |
12456 </assert_contents> | |
12457 </output> | |
12458 </test> | |
12459 <test expect_num_outputs="2"> | |
12460 <conditional name="adv_opts_cond"> | |
12461 <param name="adv_opts_selector" value="advanced"/> | |
12462 <param name="remove_duplicate_psm" value="false"/> | |
12463 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12464 <param name="force" value="false"/> | |
12465 <param name="test" value="true"/> | |
12466 </conditional> | |
12467 <param name="in" value="IDFilter_10_input.idXML"/> | |
12468 <output name="out" file="IDFilter_10_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12469 <param name="var_mods" value="false"/> | |
12470 <param name="remove_shared_peptides" value="false"/> | |
12471 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12472 <param name="remove_decoys" value="false"/> | |
12473 <param name="delete_unreferenced_peptide_hits" value="true"/> | |
12474 <section name="precursor"> | |
12475 <param name="rt" value=":"/> | |
12476 <param name="mz" value=":"/> | |
12477 <param name="length" value=":"/> | |
12478 <param name="charge" value=":"/> | |
12479 </section> | |
12480 <section name="score"> | |
12481 <param name="pep" value="0.0"/> | |
12482 <param name="prot" value="0.3"/> | |
12483 </section> | |
12484 <section name="whitelist"> | |
12485 <param name="protein_accessions" value=""/> | |
12486 <param name="ignore_modifications" value="false"/> | |
12487 <param name="modifications" value=""/> | |
12488 </section> | |
12489 <section name="blacklist"> | |
12490 <param name="protein_accessions" value=""/> | |
12491 <param name="ignore_modifications" value="false"/> | |
12492 <param name="modifications" value=""/> | |
12493 </section> | |
12494 <section name="in_silico_digestion"> | |
12495 <param name="enzyme" value="Trypsin"/> | |
12496 <param name="specificity" value="full"/> | |
12497 <param name="missed_cleavages" value="-1"/> | |
12498 <param name="methionine_cleavage" value="false"/> | |
12499 </section> | |
12500 <section name="missed_cleavages"> | |
12501 <param name="number_of_missed_cleavages" value=":"/> | |
12502 <param name="enzyme" value="Trypsin"/> | |
12503 </section> | |
12504 <section name="rt"> | |
12505 <param name="p_value" value="0.0"/> | |
12506 <param name="p_value_1st_dim" value="0.0"/> | |
12507 </section> | |
12508 <section name="mz"> | |
12509 <param name="error" value="-1.0"/> | |
12510 <param name="unit" value="ppm"/> | |
12511 </section> | |
12512 <section name="best"> | |
12513 <param name="n_peptide_hits" value="0"/> | |
12514 <param name="n_protein_hits" value="0"/> | |
12515 <param name="strict" value="false"/> | |
12516 <param name="n_to_m_peptide_hits" value=":"/> | |
12517 </section> | |
12518 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12519 <output name="ctd_out" ftype="xml"> | |
12520 <assert_contents> | |
12521 <is_valid_xml/> | |
12522 </assert_contents> | |
12523 </output> | |
12524 </test> | |
12525 <test expect_num_outputs="2"> | |
12526 <conditional name="adv_opts_cond"> | |
12527 <param name="adv_opts_selector" value="advanced"/> | |
12528 <param name="remove_duplicate_psm" value="false"/> | |
12529 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12530 <param name="force" value="false"/> | |
12531 <param name="test" value="true"/> | |
12532 </conditional> | |
12533 <param name="in" value="IDFilter_11_input.idXML"/> | |
12534 <output name="out" file="IDFilter_11_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12535 <param name="var_mods" value="false"/> | |
12536 <param name="remove_shared_peptides" value="false"/> | |
12537 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12538 <param name="remove_decoys" value="true"/> | |
12539 <param name="delete_unreferenced_peptide_hits" value="true"/> | |
12540 <section name="precursor"> | |
12541 <param name="rt" value=":"/> | |
12542 <param name="mz" value=":"/> | |
12543 <param name="length" value=":"/> | |
12544 <param name="charge" value=":"/> | |
12545 </section> | |
12546 <section name="score"> | |
12547 <param name="pep" value="0.0"/> | |
12548 <param name="prot" value="0.0"/> | |
12549 </section> | |
12550 <section name="whitelist"> | |
12551 <param name="protein_accessions" value=""/> | |
12552 <param name="ignore_modifications" value="false"/> | |
12553 <param name="modifications" value=""/> | |
12554 </section> | |
12555 <section name="blacklist"> | |
12556 <param name="protein_accessions" value=""/> | |
12557 <param name="ignore_modifications" value="false"/> | |
12558 <param name="modifications" value=""/> | |
12559 </section> | |
12560 <section name="in_silico_digestion"> | |
12561 <param name="enzyme" value="Trypsin"/> | |
12562 <param name="specificity" value="full"/> | |
12563 <param name="missed_cleavages" value="-1"/> | |
12564 <param name="methionine_cleavage" value="false"/> | |
12565 </section> | |
12566 <section name="missed_cleavages"> | |
12567 <param name="number_of_missed_cleavages" value=":"/> | |
12568 <param name="enzyme" value="Trypsin"/> | |
12569 </section> | |
12570 <section name="rt"> | |
12571 <param name="p_value" value="0.0"/> | |
12572 <param name="p_value_1st_dim" value="0.0"/> | |
12573 </section> | |
12574 <section name="mz"> | |
12575 <param name="error" value="-1.0"/> | |
12576 <param name="unit" value="ppm"/> | |
12577 </section> | |
12578 <section name="best"> | |
12579 <param name="n_peptide_hits" value="0"/> | |
12580 <param name="n_protein_hits" value="0"/> | |
12581 <param name="strict" value="false"/> | |
12582 <param name="n_to_m_peptide_hits" value=":"/> | |
12583 </section> | |
12584 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12585 <output name="ctd_out" ftype="xml"> | |
12586 <assert_contents> | |
12587 <is_valid_xml/> | |
12588 </assert_contents> | |
12589 </output> | |
12590 </test> | |
12591 <test expect_num_outputs="2"> | |
12592 <conditional name="adv_opts_cond"> | |
12593 <param name="adv_opts_selector" value="advanced"/> | |
12594 <param name="remove_duplicate_psm" value="false"/> | |
12595 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12596 <param name="force" value="false"/> | |
12597 <param name="test" value="true"/> | |
12598 </conditional> | |
12599 <param name="in" value="IDFilter_12_input.idXML"/> | |
12600 <output name="out" file="IDFilter_12_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12601 <param name="var_mods" value="false"/> | |
12602 <param name="remove_shared_peptides" value="false"/> | |
12603 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12604 <param name="remove_decoys" value="false"/> | |
12605 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12606 <section name="precursor"> | |
12607 <param name="rt" value=":"/> | |
12608 <param name="mz" value=":"/> | |
12609 <param name="length" value=":"/> | |
12610 <param name="charge" value=":"/> | |
12611 </section> | |
12612 <section name="score"> | |
12613 <param name="pep" value="0.0"/> | |
12614 <param name="prot" value="0.0"/> | |
12615 </section> | |
12616 <section name="whitelist"> | |
12617 <param name="protein_accessions" value=""/> | |
12618 <param name="ignore_modifications" value="false"/> | |
12619 <param name="modifications" value=""/> | |
12620 </section> | |
12621 <section name="blacklist"> | |
12622 <param name="protein_accessions" value=""/> | |
12623 <param name="ignore_modifications" value="false"/> | |
12624 <param name="modifications" value=""/> | |
12625 </section> | |
12626 <section name="in_silico_digestion"> | |
12627 <param name="fasta" value="IDFilter_12_input.fasta"/> | |
12628 <param name="enzyme" value="Trypsin"/> | |
12629 <param name="specificity" value="full"/> | |
12630 <param name="missed_cleavages" value="-1"/> | |
12631 <param name="methionine_cleavage" value="false"/> | |
12632 </section> | |
12633 <section name="missed_cleavages"> | |
12634 <param name="number_of_missed_cleavages" value=":"/> | |
12635 <param name="enzyme" value="Trypsin"/> | |
12636 </section> | |
12637 <section name="rt"> | |
12638 <param name="p_value" value="0.0"/> | |
12639 <param name="p_value_1st_dim" value="0.0"/> | |
12640 </section> | |
12641 <section name="mz"> | |
12642 <param name="error" value="-1.0"/> | |
12643 <param name="unit" value="ppm"/> | |
12644 </section> | |
12645 <section name="best"> | |
12646 <param name="n_peptide_hits" value="0"/> | |
12647 <param name="n_protein_hits" value="0"/> | |
12648 <param name="strict" value="false"/> | |
12649 <param name="n_to_m_peptide_hits" value=":"/> | |
12650 </section> | |
12651 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12652 <output name="ctd_out" ftype="xml"> | |
12653 <assert_contents> | |
12654 <is_valid_xml/> | |
12655 </assert_contents> | |
12656 </output> | |
12657 </test> | |
12658 <test expect_num_outputs="2"> | |
12659 <conditional name="adv_opts_cond"> | |
12660 <param name="adv_opts_selector" value="advanced"/> | |
12661 <param name="remove_duplicate_psm" value="false"/> | |
12662 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12663 <param name="force" value="false"/> | |
12664 <param name="test" value="true"/> | |
12665 </conditional> | |
12666 <param name="in" value="IDFilter_13_input.idXML"/> | |
12667 <output name="out" file="IDFilter_13_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12668 <param name="var_mods" value="false"/> | |
12669 <param name="remove_shared_peptides" value="false"/> | |
12670 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12671 <param name="remove_decoys" value="false"/> | |
12672 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12673 <section name="precursor"> | |
12674 <param name="rt" value=":"/> | |
12675 <param name="mz" value=":"/> | |
12676 <param name="length" value=":"/> | |
12677 <param name="charge" value=":"/> | |
12678 </section> | |
12679 <section name="score"> | |
12680 <param name="pep" value="0.0"/> | |
12681 <param name="prot" value="0.0"/> | |
12682 </section> | |
12683 <section name="whitelist"> | |
12684 <param name="protein_accessions" value=""/> | |
12685 <param name="ignore_modifications" value="false"/> | |
12686 <param name="modifications" value=""/> | |
12687 </section> | |
12688 <section name="blacklist"> | |
12689 <param name="protein_accessions" value=""/> | |
12690 <param name="ignore_modifications" value="false"/> | |
12691 <param name="modifications" value=""/> | |
12692 </section> | |
12693 <section name="in_silico_digestion"> | |
12694 <param name="fasta" value="IDFilter_13_input.fasta"/> | |
12695 <param name="enzyme" value="Trypsin"/> | |
12696 <param name="specificity" value="full"/> | |
12697 <param name="missed_cleavages" value="1"/> | |
12698 <param name="methionine_cleavage" value="false"/> | |
12699 </section> | |
12700 <section name="missed_cleavages"> | |
12701 <param name="number_of_missed_cleavages" value=":"/> | |
12702 <param name="enzyme" value="Trypsin"/> | |
12703 </section> | |
12704 <section name="rt"> | |
12705 <param name="p_value" value="0.0"/> | |
12706 <param name="p_value_1st_dim" value="0.0"/> | |
12707 </section> | |
12708 <section name="mz"> | |
12709 <param name="error" value="-1.0"/> | |
12710 <param name="unit" value="ppm"/> | |
12711 </section> | |
12712 <section name="best"> | |
12713 <param name="n_peptide_hits" value="0"/> | |
12714 <param name="n_protein_hits" value="0"/> | |
12715 <param name="strict" value="false"/> | |
12716 <param name="n_to_m_peptide_hits" value=":"/> | |
12717 </section> | |
12718 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12719 <output name="ctd_out" ftype="xml"> | |
12720 <assert_contents> | |
12721 <is_valid_xml/> | |
12722 </assert_contents> | |
12723 </output> | |
12724 </test> | |
12725 <test expect_num_outputs="2"> | |
12726 <conditional name="adv_opts_cond"> | |
12727 <param name="adv_opts_selector" value="advanced"/> | |
12728 <param name="remove_duplicate_psm" value="false"/> | |
12729 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12730 <param name="force" value="false"/> | |
12731 <param name="test" value="true"/> | |
12732 </conditional> | |
12733 <param name="in" value="IDFilter_14_input.idXML"/> | |
12734 <output name="out" file="IDFilter_14_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12735 <param name="var_mods" value="false"/> | |
12736 <param name="remove_shared_peptides" value="false"/> | |
12737 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12738 <param name="remove_decoys" value="false"/> | |
12739 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12740 <section name="precursor"> | |
12741 <param name="rt" value=":"/> | |
12742 <param name="mz" value=":"/> | |
12743 <param name="length" value=":"/> | |
12744 <param name="charge" value=":"/> | |
12745 </section> | |
12746 <section name="score"> | |
12747 <param name="pep" value="0.0"/> | |
12748 <param name="prot" value="0.0"/> | |
12749 </section> | |
12750 <section name="whitelist"> | |
12751 <param name="protein_accessions" value=""/> | |
12752 <param name="ignore_modifications" value="false"/> | |
12753 <param name="modifications" value=""/> | |
12754 </section> | |
12755 <section name="blacklist"> | |
12756 <param name="protein_accessions" value=""/> | |
12757 <param name="ignore_modifications" value="false"/> | |
12758 <param name="modifications" value=""/> | |
12759 </section> | |
12760 <section name="in_silico_digestion"> | |
12761 <param name="fasta" value="IDFilter_14_input.fasta"/> | |
12762 <param name="enzyme" value="Trypsin/P"/> | |
12763 <param name="specificity" value="full"/> | |
12764 <param name="missed_cleavages" value="1"/> | |
12765 <param name="methionine_cleavage" value="false"/> | |
12766 </section> | |
12767 <section name="missed_cleavages"> | |
12768 <param name="number_of_missed_cleavages" value=":"/> | |
12769 <param name="enzyme" value="Trypsin"/> | |
12770 </section> | |
12771 <section name="rt"> | |
12772 <param name="p_value" value="0.0"/> | |
12773 <param name="p_value_1st_dim" value="0.0"/> | |
12774 </section> | |
12775 <section name="mz"> | |
12776 <param name="error" value="-1.0"/> | |
12777 <param name="unit" value="ppm"/> | |
12778 </section> | |
12779 <section name="best"> | |
12780 <param name="n_peptide_hits" value="0"/> | |
12781 <param name="n_protein_hits" value="0"/> | |
12782 <param name="strict" value="false"/> | |
12783 <param name="n_to_m_peptide_hits" value=":"/> | |
12784 </section> | |
12785 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12786 <output name="ctd_out" ftype="xml"> | |
12787 <assert_contents> | |
12788 <is_valid_xml/> | |
12789 </assert_contents> | |
12790 </output> | |
12791 </test> | |
12792 <test expect_num_outputs="2"> | |
12793 <conditional name="adv_opts_cond"> | |
12794 <param name="adv_opts_selector" value="advanced"/> | |
12795 <param name="remove_duplicate_psm" value="false"/> | |
12796 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12797 <param name="force" value="false"/> | |
12798 <param name="test" value="true"/> | |
12799 </conditional> | |
12800 <param name="in" value="IDFilter_15_input.idXML"/> | |
12801 <output name="out" file="IDFilter_15_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12802 <param name="var_mods" value="false"/> | |
12803 <param name="remove_shared_peptides" value="false"/> | |
12804 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12805 <param name="remove_decoys" value="false"/> | |
12806 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12807 <section name="precursor"> | |
12808 <param name="rt" value=":"/> | |
12809 <param name="mz" value=":"/> | |
12810 <param name="length" value=":"/> | |
12811 <param name="charge" value=":"/> | |
12812 </section> | |
12813 <section name="score"> | |
12814 <param name="pep" value="0.0"/> | |
12815 <param name="prot" value="0.0"/> | |
12816 </section> | |
12817 <section name="whitelist"> | |
12818 <param name="protein_accessions" value=""/> | |
12819 <param name="ignore_modifications" value="false"/> | |
12820 <param name="modifications" value=""/> | |
12821 </section> | |
12822 <section name="blacklist"> | |
12823 <param name="protein_accessions" value=""/> | |
12824 <param name="ignore_modifications" value="false"/> | |
12825 <param name="modifications" value=""/> | |
12826 </section> | |
12827 <section name="in_silico_digestion"> | |
12828 <param name="fasta" value="IDFilter_15_input.fasta"/> | |
12829 <param name="enzyme" value="Trypsin/P"/> | |
12830 <param name="specificity" value="semi"/> | |
12831 <param name="missed_cleavages" value="1"/> | |
12832 <param name="methionine_cleavage" value="false"/> | |
12833 </section> | |
12834 <section name="missed_cleavages"> | |
12835 <param name="number_of_missed_cleavages" value=":"/> | |
12836 <param name="enzyme" value="Trypsin"/> | |
12837 </section> | |
12838 <section name="rt"> | |
12839 <param name="p_value" value="0.0"/> | |
12840 <param name="p_value_1st_dim" value="0.0"/> | |
12841 </section> | |
12842 <section name="mz"> | |
12843 <param name="error" value="-1.0"/> | |
12844 <param name="unit" value="ppm"/> | |
12845 </section> | |
12846 <section name="best"> | |
12847 <param name="n_peptide_hits" value="0"/> | |
12848 <param name="n_protein_hits" value="0"/> | |
12849 <param name="strict" value="false"/> | |
12850 <param name="n_to_m_peptide_hits" value=":"/> | |
12851 </section> | |
12852 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12853 <output name="ctd_out" ftype="xml"> | |
12854 <assert_contents> | |
12855 <is_valid_xml/> | |
12856 </assert_contents> | |
12857 </output> | |
12858 </test> | |
12859 <test expect_num_outputs="2"> | |
12860 <conditional name="adv_opts_cond"> | |
12861 <param name="adv_opts_selector" value="advanced"/> | |
12862 <param name="remove_duplicate_psm" value="false"/> | |
12863 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12864 <param name="force" value="false"/> | |
12865 <param name="test" value="true"/> | |
12866 </conditional> | |
12867 <param name="in" value="IDFilter_16_input.idXML"/> | |
12868 <output name="out" file="IDFilter_16_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12869 <param name="var_mods" value="false"/> | |
12870 <param name="remove_shared_peptides" value="false"/> | |
12871 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12872 <param name="remove_decoys" value="false"/> | |
12873 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12874 <section name="precursor"> | |
12875 <param name="rt" value=":"/> | |
12876 <param name="mz" value=":"/> | |
12877 <param name="length" value=":"/> | |
12878 <param name="charge" value=":"/> | |
12879 </section> | |
12880 <section name="score"> | |
12881 <param name="pep" value="0.0"/> | |
12882 <param name="prot" value="0.0"/> | |
12883 </section> | |
12884 <section name="whitelist"> | |
12885 <param name="protein_accessions" value=""/> | |
12886 <param name="ignore_modifications" value="false"/> | |
12887 <param name="modifications" value=""/> | |
12888 </section> | |
12889 <section name="blacklist"> | |
12890 <param name="protein_accessions" value=""/> | |
12891 <param name="ignore_modifications" value="false"/> | |
12892 <param name="modifications" value=""/> | |
12893 </section> | |
12894 <section name="in_silico_digestion"> | |
12895 <param name="fasta" value="IDFilter_16_input.fasta"/> | |
12896 <param name="enzyme" value="Trypsin/P"/> | |
12897 <param name="specificity" value="full"/> | |
12898 <param name="missed_cleavages" value="1"/> | |
12899 <param name="methionine_cleavage" value="true"/> | |
12900 </section> | |
12901 <section name="missed_cleavages"> | |
12902 <param name="number_of_missed_cleavages" value=":"/> | |
12903 <param name="enzyme" value="Trypsin"/> | |
12904 </section> | |
12905 <section name="rt"> | |
12906 <param name="p_value" value="0.0"/> | |
12907 <param name="p_value_1st_dim" value="0.0"/> | |
12908 </section> | |
12909 <section name="mz"> | |
12910 <param name="error" value="-1.0"/> | |
12911 <param name="unit" value="ppm"/> | |
12912 </section> | |
12913 <section name="best"> | |
12914 <param name="n_peptide_hits" value="0"/> | |
12915 <param name="n_protein_hits" value="0"/> | |
12916 <param name="strict" value="false"/> | |
12917 <param name="n_to_m_peptide_hits" value=":"/> | |
12918 </section> | |
12919 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12920 <output name="ctd_out" ftype="xml"> | |
12921 <assert_contents> | |
12922 <is_valid_xml/> | |
12923 </assert_contents> | |
12924 </output> | |
12925 </test> | |
12926 <test expect_num_outputs="2"> | |
12927 <conditional name="adv_opts_cond"> | |
12928 <param name="adv_opts_selector" value="advanced"/> | |
12929 <param name="remove_duplicate_psm" value="false"/> | |
12930 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12931 <param name="force" value="false"/> | |
12932 <param name="test" value="true"/> | |
12933 </conditional> | |
12934 <param name="in" value="IDFilter_missed_cleavages_input.idXML"/> | |
12935 <output name="out" file="IDFilter_17_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
12936 <param name="var_mods" value="false"/> | |
12937 <param name="remove_shared_peptides" value="false"/> | |
12938 <param name="keep_unreferenced_protein_hits" value="false"/> | |
12939 <param name="remove_decoys" value="false"/> | |
12940 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
12941 <section name="precursor"> | |
12942 <param name="rt" value=":"/> | |
12943 <param name="mz" value=":"/> | |
12944 <param name="length" value=":"/> | |
12945 <param name="charge" value=":"/> | |
12946 </section> | |
12947 <section name="score"> | |
12948 <param name="pep" value="0.0"/> | |
12949 <param name="prot" value="0.0"/> | |
12950 </section> | |
12951 <section name="whitelist"> | |
12952 <param name="protein_accessions" value=""/> | |
12953 <param name="ignore_modifications" value="false"/> | |
12954 <param name="modifications" value=""/> | |
12955 </section> | |
12956 <section name="blacklist"> | |
12957 <param name="protein_accessions" value=""/> | |
12958 <param name="ignore_modifications" value="false"/> | |
12959 <param name="modifications" value=""/> | |
12960 </section> | |
12961 <section name="in_silico_digestion"> | |
12962 <param name="enzyme" value="Trypsin"/> | |
12963 <param name="specificity" value="full"/> | |
12964 <param name="missed_cleavages" value="-1"/> | |
12965 <param name="methionine_cleavage" value="false"/> | |
12966 </section> | |
12967 <section name="missed_cleavages"> | |
12968 <param name="number_of_missed_cleavages" value=":2"/> | |
12969 <param name="enzyme" value="Lys-N"/> | |
12970 </section> | |
12971 <section name="rt"> | |
12972 <param name="p_value" value="0.0"/> | |
12973 <param name="p_value_1st_dim" value="0.0"/> | |
12974 </section> | |
12975 <section name="mz"> | |
12976 <param name="error" value="-1.0"/> | |
12977 <param name="unit" value="ppm"/> | |
12978 </section> | |
12979 <section name="best"> | |
12980 <param name="n_peptide_hits" value="0"/> | |
12981 <param name="n_protein_hits" value="0"/> | |
12982 <param name="strict" value="false"/> | |
12983 <param name="n_to_m_peptide_hits" value=":"/> | |
12984 </section> | |
12985 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
12986 <output name="ctd_out" ftype="xml"> | |
12987 <assert_contents> | |
12988 <is_valid_xml/> | |
12989 </assert_contents> | |
12990 </output> | |
12991 </test> | |
12992 <test expect_num_outputs="2"> | |
12993 <conditional name="adv_opts_cond"> | |
12994 <param name="adv_opts_selector" value="advanced"/> | |
12995 <param name="remove_duplicate_psm" value="false"/> | |
12996 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
12997 <param name="force" value="false"/> | |
12998 <param name="test" value="true"/> | |
12999 </conditional> | |
13000 <param name="in" value="IDFilter_missed_cleavages_input.idXML"/> | |
13001 <output name="out" file="IDFilter_18_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13002 <param name="var_mods" value="false"/> | |
13003 <param name="remove_shared_peptides" value="false"/> | |
13004 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13005 <param name="remove_decoys" value="false"/> | |
13006 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13007 <section name="precursor"> | |
13008 <param name="rt" value=":"/> | |
13009 <param name="mz" value=":"/> | |
13010 <param name="length" value=":"/> | |
13011 <param name="charge" value=":"/> | |
13012 </section> | |
13013 <section name="score"> | |
13014 <param name="pep" value="0.0"/> | |
13015 <param name="prot" value="0.0"/> | |
13016 </section> | |
13017 <section name="whitelist"> | |
13018 <param name="protein_accessions" value=""/> | |
13019 <param name="ignore_modifications" value="false"/> | |
13020 <param name="modifications" value=""/> | |
13021 </section> | |
13022 <section name="blacklist"> | |
13023 <param name="protein_accessions" value=""/> | |
13024 <param name="ignore_modifications" value="false"/> | |
13025 <param name="modifications" value=""/> | |
13026 </section> | |
13027 <section name="in_silico_digestion"> | |
13028 <param name="enzyme" value="Trypsin"/> | |
13029 <param name="specificity" value="full"/> | |
13030 <param name="missed_cleavages" value="-1"/> | |
13031 <param name="methionine_cleavage" value="false"/> | |
13032 </section> | |
13033 <section name="missed_cleavages"> | |
13034 <param name="number_of_missed_cleavages" value="2:"/> | |
13035 <param name="enzyme" value="Lys-N"/> | |
13036 </section> | |
13037 <section name="rt"> | |
13038 <param name="p_value" value="0.0"/> | |
13039 <param name="p_value_1st_dim" value="0.0"/> | |
13040 </section> | |
13041 <section name="mz"> | |
13042 <param name="error" value="-1.0"/> | |
13043 <param name="unit" value="ppm"/> | |
13044 </section> | |
13045 <section name="best"> | |
13046 <param name="n_peptide_hits" value="0"/> | |
13047 <param name="n_protein_hits" value="0"/> | |
13048 <param name="strict" value="false"/> | |
13049 <param name="n_to_m_peptide_hits" value=":"/> | |
13050 </section> | |
13051 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13052 <output name="ctd_out" ftype="xml"> | |
13053 <assert_contents> | |
13054 <is_valid_xml/> | |
13055 </assert_contents> | |
13056 </output> | |
13057 </test> | |
13058 <test expect_num_outputs="2"> | |
13059 <conditional name="adv_opts_cond"> | |
13060 <param name="adv_opts_selector" value="advanced"/> | |
13061 <param name="remove_duplicate_psm" value="false"/> | |
13062 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13063 <param name="force" value="false"/> | |
13064 <param name="test" value="true"/> | |
13065 </conditional> | |
13066 <param name="in" value="IDFilter_missed_cleavages_input.idXML"/> | |
13067 <output name="out" file="IDFilter_19_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13068 <param name="var_mods" value="false"/> | |
13069 <param name="remove_shared_peptides" value="false"/> | |
13070 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13071 <param name="remove_decoys" value="false"/> | |
13072 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13073 <section name="precursor"> | |
13074 <param name="rt" value=":"/> | |
13075 <param name="mz" value=":"/> | |
13076 <param name="length" value=":"/> | |
13077 <param name="charge" value=":"/> | |
13078 </section> | |
13079 <section name="score"> | |
13080 <param name="pep" value="0.0"/> | |
13081 <param name="prot" value="0.0"/> | |
13082 </section> | |
13083 <section name="whitelist"> | |
13084 <param name="protein_accessions" value=""/> | |
13085 <param name="ignore_modifications" value="false"/> | |
13086 <param name="modifications" value=""/> | |
13087 </section> | |
13088 <section name="blacklist"> | |
13089 <param name="protein_accessions" value=""/> | |
13090 <param name="ignore_modifications" value="false"/> | |
13091 <param name="modifications" value=""/> | |
13092 </section> | |
13093 <section name="in_silico_digestion"> | |
13094 <param name="enzyme" value="Trypsin"/> | |
13095 <param name="specificity" value="full"/> | |
13096 <param name="missed_cleavages" value="-1"/> | |
13097 <param name="methionine_cleavage" value="false"/> | |
13098 </section> | |
13099 <section name="missed_cleavages"> | |
13100 <param name="number_of_missed_cleavages" value="1:3"/> | |
13101 <param name="enzyme" value="Lys-N"/> | |
13102 </section> | |
13103 <section name="rt"> | |
13104 <param name="p_value" value="0.0"/> | |
13105 <param name="p_value_1st_dim" value="0.0"/> | |
13106 </section> | |
13107 <section name="mz"> | |
13108 <param name="error" value="-1.0"/> | |
13109 <param name="unit" value="ppm"/> | |
13110 </section> | |
13111 <section name="best"> | |
13112 <param name="n_peptide_hits" value="0"/> | |
13113 <param name="n_protein_hits" value="0"/> | |
13114 <param name="strict" value="false"/> | |
13115 <param name="n_to_m_peptide_hits" value=":"/> | |
13116 </section> | |
13117 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13118 <output name="ctd_out" ftype="xml"> | |
13119 <assert_contents> | |
13120 <is_valid_xml/> | |
13121 </assert_contents> | |
13122 </output> | |
13123 </test> | |
13124 <test expect_num_outputs="2"> | |
13125 <conditional name="adv_opts_cond"> | |
13126 <param name="adv_opts_selector" value="advanced"/> | |
13127 <param name="remove_duplicate_psm" value="false"/> | |
13128 <param name="remove_peptide_hits_by_metavalue" value=""/> | |
13129 <param name="force" value="false"/> | |
13130 <param name="test" value="true"/> | |
13131 </conditional> | |
13132 <param name="in" value="IDFilter_missed_cleavages_input.idXML"/> | |
13133 <output name="out" file="IDFilter_20_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13134 <param name="var_mods" value="false"/> | |
13135 <param name="remove_shared_peptides" value="false"/> | |
13136 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13137 <param name="remove_decoys" value="false"/> | |
13138 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13139 <section name="precursor"> | |
13140 <param name="rt" value=":"/> | |
13141 <param name="mz" value=":"/> | |
13142 <param name="length" value=":"/> | |
13143 <param name="charge" value=":"/> | |
13144 </section> | |
13145 <section name="score"> | |
13146 <param name="pep" value="0.0"/> | |
13147 <param name="prot" value="0.0"/> | |
13148 </section> | |
13149 <section name="whitelist"> | |
13150 <param name="protein_accessions" value=""/> | |
13151 <param name="ignore_modifications" value="false"/> | |
13152 <param name="modifications" value=""/> | |
13153 </section> | |
13154 <section name="blacklist"> | |
13155 <param name="protein_accessions" value=""/> | |
13156 <param name="ignore_modifications" value="false"/> | |
13157 <param name="modifications" value=""/> | |
13158 </section> | |
13159 <section name="in_silico_digestion"> | |
13160 <param name="enzyme" value="Trypsin"/> | |
13161 <param name="specificity" value="full"/> | |
13162 <param name="missed_cleavages" value="-1"/> | |
13163 <param name="methionine_cleavage" value="false"/> | |
13164 </section> | |
13165 <section name="missed_cleavages"> | |
13166 <param name="number_of_missed_cleavages" value="1:0"/> | |
13167 <param name="enzyme" value="Trypsin"/> | |
13168 </section> | |
13169 <section name="rt"> | |
13170 <param name="p_value" value="0.0"/> | |
13171 <param name="p_value_1st_dim" value="0.0"/> | |
13172 </section> | |
13173 <section name="mz"> | |
13174 <param name="error" value="-1.0"/> | |
13175 <param name="unit" value="ppm"/> | |
13176 </section> | |
13177 <section name="best"> | |
13178 <param name="n_peptide_hits" value="0"/> | |
13179 <param name="n_protein_hits" value="0"/> | |
13180 <param name="strict" value="false"/> | |
13181 <param name="n_to_m_peptide_hits" value=":"/> | |
13182 </section> | |
13183 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13184 <output name="ctd_out" ftype="xml"> | |
13185 <assert_contents> | |
13186 <is_valid_xml/> | |
13187 </assert_contents> | |
13188 </output> | |
13189 </test> | |
13190 <test expect_num_outputs="2"> | |
13191 <conditional name="adv_opts_cond"> | |
13192 <param name="adv_opts_selector" value="advanced"/> | |
13193 <param name="remove_duplicate_psm" value="false"/> | |
13194 <param name="remove_peptide_hits_by_metavalue" value=""calcMZ" "gt" "750.0""/> | |
13195 <param name="force" value="false"/> | |
13196 <param name="test" value="true"/> | |
13197 </conditional> | |
13198 <param name="in" value="IDFilter_16_input.idXML"/> | |
13199 <output name="out" file="IDFilter_21_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13200 <param name="var_mods" value="false"/> | |
13201 <param name="remove_shared_peptides" value="false"/> | |
13202 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13203 <param name="remove_decoys" value="false"/> | |
13204 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13205 <section name="precursor"> | |
13206 <param name="rt" value=":"/> | |
13207 <param name="mz" value=":"/> | |
13208 <param name="length" value=":"/> | |
13209 <param name="charge" value=":"/> | |
13210 </section> | |
13211 <section name="score"> | |
13212 <param name="pep" value="0.0"/> | |
13213 <param name="prot" value="0.0"/> | |
13214 </section> | |
13215 <section name="whitelist"> | |
13216 <param name="protein_accessions" value=""/> | |
13217 <param name="ignore_modifications" value="false"/> | |
13218 <param name="modifications" value=""/> | |
13219 </section> | |
13220 <section name="blacklist"> | |
13221 <param name="protein_accessions" value=""/> | |
13222 <param name="ignore_modifications" value="false"/> | |
13223 <param name="modifications" value=""/> | |
13224 </section> | |
13225 <section name="in_silico_digestion"> | |
13226 <param name="enzyme" value="Trypsin"/> | |
13227 <param name="specificity" value="full"/> | |
13228 <param name="missed_cleavages" value="-1"/> | |
13229 <param name="methionine_cleavage" value="false"/> | |
13230 </section> | |
13231 <section name="missed_cleavages"> | |
13232 <param name="number_of_missed_cleavages" value=":"/> | |
13233 <param name="enzyme" value="Trypsin"/> | |
13234 </section> | |
13235 <section name="rt"> | |
13236 <param name="p_value" value="0.0"/> | |
13237 <param name="p_value_1st_dim" value="0.0"/> | |
13238 </section> | |
13239 <section name="mz"> | |
13240 <param name="error" value="-1.0"/> | |
13241 <param name="unit" value="ppm"/> | |
13242 </section> | |
13243 <section name="best"> | |
13244 <param name="n_peptide_hits" value="0"/> | |
13245 <param name="n_protein_hits" value="0"/> | |
13246 <param name="strict" value="false"/> | |
13247 <param name="n_to_m_peptide_hits" value=":"/> | |
13248 </section> | |
13249 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13250 <output name="ctd_out" ftype="xml"> | |
13251 <assert_contents> | |
13252 <is_valid_xml/> | |
13253 </assert_contents> | |
13254 </output> | |
13255 </test> | |
13256 <test expect_num_outputs="2"> | |
13257 <conditional name="adv_opts_cond"> | |
13258 <param name="adv_opts_selector" value="advanced"/> | |
13259 <param name="remove_duplicate_psm" value="false"/> | |
13260 <param name="remove_peptide_hits_by_metavalue" value=""end" "ne" "23""/> | |
13261 <param name="force" value="false"/> | |
13262 <param name="test" value="true"/> | |
13263 </conditional> | |
13264 <param name="in" value="IDFilter_16_input.idXML"/> | |
13265 <output name="out" file="IDFilter_22_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13266 <param name="var_mods" value="false"/> | |
13267 <param name="remove_shared_peptides" value="false"/> | |
13268 <param name="keep_unreferenced_protein_hits" value="false"/> | |
13269 <param name="remove_decoys" value="false"/> | |
13270 <param name="delete_unreferenced_peptide_hits" value="false"/> | |
13271 <section name="precursor"> | |
13272 <param name="rt" value=":"/> | |
13273 <param name="mz" value=":"/> | |
13274 <param name="length" value=":"/> | |
13275 <param name="charge" value=":"/> | |
13276 </section> | |
13277 <section name="score"> | |
13278 <param name="pep" value="0.0"/> | |
13279 <param name="prot" value="0.0"/> | |
13280 </section> | |
13281 <section name="whitelist"> | |
13282 <param name="protein_accessions" value=""/> | |
13283 <param name="ignore_modifications" value="false"/> | |
13284 <param name="modifications" value=""/> | |
13285 </section> | |
13286 <section name="blacklist"> | |
13287 <param name="protein_accessions" value=""/> | |
13288 <param name="ignore_modifications" value="false"/> | |
13289 <param name="modifications" value=""/> | |
13290 </section> | |
13291 <section name="in_silico_digestion"> | |
13292 <param name="enzyme" value="Trypsin"/> | |
13293 <param name="specificity" value="full"/> | |
13294 <param name="missed_cleavages" value="-1"/> | |
13295 <param name="methionine_cleavage" value="false"/> | |
13296 </section> | |
13297 <section name="missed_cleavages"> | |
13298 <param name="number_of_missed_cleavages" value=":"/> | |
13299 <param name="enzyme" value="Trypsin"/> | |
13300 </section> | |
13301 <section name="rt"> | |
13302 <param name="p_value" value="0.0"/> | |
13303 <param name="p_value_1st_dim" value="0.0"/> | |
13304 </section> | |
13305 <section name="mz"> | |
13306 <param name="error" value="-1.0"/> | |
13307 <param name="unit" value="ppm"/> | |
13308 </section> | |
13309 <section name="best"> | |
13310 <param name="n_peptide_hits" value="0"/> | |
13311 <param name="n_protein_hits" value="0"/> | |
13312 <param name="strict" value="false"/> | |
13313 <param name="n_to_m_peptide_hits" value=":"/> | |
13314 </section> | |
13315 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13316 <output name="ctd_out" ftype="xml"> | |
13317 <assert_contents> | |
13318 <is_valid_xml/> | |
13319 </assert_contents> | |
13320 </output> | |
13321 </test> | |
13322 </xml> | |
13323 <xml name="autotest_IDMapper"> | |
13324 <test expect_num_outputs="2"> | |
13325 <conditional name="adv_opts_cond"> | |
13326 <param name="adv_opts_selector" value="advanced"/> | |
13327 <param name="ignore_charge" value="true"/> | |
13328 <param name="force" value="false"/> | |
13329 <param name="test" value="true"/> | |
13330 </conditional> | |
13331 <param name="id" value="IDMapper_1_input.idXML"/> | |
13332 <param name="in" value="IDMapper_1_input.featureXML"/> | |
13333 <output name="out" file="IDMapper_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
13334 <param name="rt_tolerance" value="5.0"/> | |
13335 <param name="mz_tolerance" value="1.0"/> | |
13336 <param name="mz_measure" value="Da"/> | |
13337 <param name="mz_reference" value="precursor"/> | |
13338 <section name="feature"> | |
13339 <param name="use_centroid_rt" value="false"/> | |
13340 <param name="use_centroid_mz" value="false"/> | |
13341 </section> | |
13342 <section name="consensus"> | |
13343 <param name="use_subelements" value="false"/> | |
13344 <param name="annotate_ids_with_subelements" value="false"/> | |
13345 </section> | |
13346 <section name="spectra"/> | |
13347 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13348 <output name="ctd_out" ftype="xml"> | |
13349 <assert_contents> | |
13350 <is_valid_xml/> | |
13351 </assert_contents> | |
13352 </output> | |
13353 </test> | |
13354 <test expect_num_outputs="2"> | |
13355 <conditional name="adv_opts_cond"> | |
13356 <param name="adv_opts_selector" value="advanced"/> | |
13357 <param name="ignore_charge" value="false"/> | |
13358 <param name="force" value="false"/> | |
13359 <param name="test" value="true"/> | |
13360 </conditional> | |
13361 <param name="id" value="IDMapper_2_input.idXML"/> | |
13362 <param name="in" value="IDMapper_2_input.consensusXML"/> | |
13363 <output name="out" file="IDMapper_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
13364 <param name="rt_tolerance" value="5.0"/> | |
13365 <param name="mz_tolerance" value="1.0"/> | |
13366 <param name="mz_measure" value="Da"/> | |
13367 <param name="mz_reference" value="precursor"/> | |
13368 <section name="feature"> | |
13369 <param name="use_centroid_rt" value="false"/> | |
13370 <param name="use_centroid_mz" value="true"/> | |
13371 </section> | |
13372 <section name="consensus"> | |
13373 <param name="use_subelements" value="false"/> | |
13374 <param name="annotate_ids_with_subelements" value="false"/> | |
13375 </section> | |
13376 <section name="spectra"/> | |
13377 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13378 <output name="ctd_out" ftype="xml"> | |
13379 <assert_contents> | |
13380 <is_valid_xml/> | |
13381 </assert_contents> | |
13382 </output> | |
13383 </test> | |
13384 <test expect_num_outputs="2"> | |
13385 <conditional name="adv_opts_cond"> | |
13386 <param name="adv_opts_selector" value="advanced"/> | |
13387 <param name="ignore_charge" value="true"/> | |
13388 <param name="force" value="false"/> | |
13389 <param name="test" value="true"/> | |
13390 </conditional> | |
13391 <param name="id" value="IDMapper_3_input.idXML"/> | |
13392 <param name="in" value="IDMapper_3_input.featureXML"/> | |
13393 <output name="out" file="IDMapper_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
13394 <param name="rt_tolerance" value="4.0"/> | |
13395 <param name="mz_tolerance" value="3.0"/> | |
13396 <param name="mz_measure" value="ppm"/> | |
13397 <param name="mz_reference" value="precursor"/> | |
13398 <section name="feature"> | |
13399 <param name="use_centroid_rt" value="false"/> | |
13400 <param name="use_centroid_mz" value="true"/> | |
13401 </section> | |
13402 <section name="consensus"> | |
13403 <param name="use_subelements" value="false"/> | |
13404 <param name="annotate_ids_with_subelements" value="false"/> | |
13405 </section> | |
13406 <section name="spectra"/> | |
13407 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13408 <output name="ctd_out" ftype="xml"> | |
13409 <assert_contents> | |
13410 <is_valid_xml/> | |
13411 </assert_contents> | |
13412 </output> | |
13413 </test> | |
13414 <test expect_num_outputs="2"> | |
13415 <conditional name="adv_opts_cond"> | |
13416 <param name="adv_opts_selector" value="advanced"/> | |
13417 <param name="ignore_charge" value="false"/> | |
13418 <param name="force" value="false"/> | |
13419 <param name="test" value="true"/> | |
13420 </conditional> | |
13421 <param name="id" value="IDMapper_4_input.idXML"/> | |
13422 <param name="in" value="IDMapper_4_input.featureXML"/> | |
13423 <output name="out" file="IDMapper_4_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
13424 <param name="rt_tolerance" value="10.0"/> | |
13425 <param name="mz_tolerance" value="20.0"/> | |
13426 <param name="mz_measure" value="ppm"/> | |
13427 <param name="mz_reference" value="peptide"/> | |
13428 <section name="feature"> | |
13429 <param name="use_centroid_rt" value="false"/> | |
13430 <param name="use_centroid_mz" value="true"/> | |
13431 </section> | |
13432 <section name="consensus"> | |
13433 <param name="use_subelements" value="false"/> | |
13434 <param name="annotate_ids_with_subelements" value="false"/> | |
13435 </section> | |
13436 <section name="spectra"> | |
13437 <param name="_in" value="IDMapper_4_input.mzML"/> | |
13438 </section> | |
13439 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13440 <output name="ctd_out" ftype="xml"> | |
13441 <assert_contents> | |
13442 <is_valid_xml/> | |
13443 </assert_contents> | |
13444 </output> | |
13445 </test> | |
13446 <test expect_num_outputs="2"> | |
13447 <conditional name="adv_opts_cond"> | |
13448 <param name="adv_opts_selector" value="advanced"/> | |
13449 <param name="ignore_charge" value="false"/> | |
13450 <param name="force" value="false"/> | |
13451 <param name="test" value="true"/> | |
13452 </conditional> | |
13453 <param name="id" value="IDMapper_5_input.idXML"/> | |
13454 <param name="in" value="IDMapper_5_input.featureXML"/> | |
13455 <output name="out" file="IDMapper_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
13456 <param name="rt_tolerance" value="20.0"/> | |
13457 <param name="mz_tolerance" value="10.0"/> | |
13458 <param name="mz_measure" value="ppm"/> | |
13459 <param name="mz_reference" value="peptide"/> | |
13460 <section name="feature"> | |
13461 <param name="use_centroid_rt" value="false"/> | |
13462 <param name="use_centroid_mz" value="false"/> | |
13463 </section> | |
13464 <section name="consensus"> | |
13465 <param name="use_subelements" value="false"/> | |
13466 <param name="annotate_ids_with_subelements" value="false"/> | |
13467 </section> | |
13468 <section name="spectra"> | |
13469 <param name="_in" value="IDMapper_5_input.mzML"/> | |
13470 </section> | |
13471 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13472 <output name="ctd_out" ftype="xml"> | |
13473 <assert_contents> | |
13474 <is_valid_xml/> | |
13475 </assert_contents> | |
13476 </output> | |
13477 </test> | |
13478 </xml> | |
13479 <xml name="autotest_IDMassAccuracy"> | |
13480 <test expect_num_outputs="5"> | |
13481 <conditional name="adv_opts_cond"> | |
13482 <param name="adv_opts_selector" value="advanced"/> | |
13483 <param name="number_of_bins" value="10"/> | |
13484 <param name="force" value="false"/> | |
13485 <param name="test" value="true"/> | |
13486 </conditional> | |
13487 <param name="in" value="spectra.mzML"/> | |
13488 <param name="id_in" value="MSGFPlusAdapter_1_out.idXML"/> | |
13489 <output name="out_precursor" file="IDMassAccuracy_1_out_precursor.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
13490 <param name="precursor_error_ppm" value="false"/> | |
13491 <output name="out_fragment" file="IDMassAccuracy_1_out_fragment.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
13492 <param name="fragment_error_ppm" value="false"/> | |
13493 <param name="fragment_mass_tolerance" value="0.5"/> | |
13494 <output name="out_precursor_fit" file="IDMassAccuracy_1_out_precursor_fit.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
13495 <output name="out_fragment_fit" file="IDMassAccuracy_1_out_fragment_fit.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
13496 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_precursor_FLAG,out_fragment_FLAG,out_precursor_fit_FLAG,out_fragment_fit_FLAG"/> | |
13497 <output name="ctd_out" ftype="xml"> | |
13498 <assert_contents> | |
13499 <is_valid_xml/> | |
13500 </assert_contents> | |
13501 </output> | |
13502 </test> | |
13503 </xml> | |
13504 <xml name="autotest_IDMerger"> | |
13505 <test expect_num_outputs="2"> | |
13506 <conditional name="adv_opts_cond"> | |
13507 <param name="adv_opts_selector" value="advanced"/> | |
13508 <param name="force" value="false"/> | |
13509 <param name="test" value="true"/> | |
13510 </conditional> | |
13511 <param name="in" value="IDMerger_1_input1.idXML,IDMerger_1_input2.idXML"/> | |
13512 <output name="out" file="IDMerger_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13513 <param name="annotate_file_origin" value="true"/> | |
13514 <param name="pepxml_protxml" value="false"/> | |
13515 <param name="merge_proteins_add_PSMs" value="false"/> | |
13516 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13517 <output name="ctd_out" ftype="xml"> | |
13518 <assert_contents> | |
13519 <is_valid_xml/> | |
13520 </assert_contents> | |
13521 </output> | |
13522 </test> | |
13523 <test expect_num_outputs="2"> | |
13524 <conditional name="adv_opts_cond"> | |
13525 <param name="adv_opts_selector" value="advanced"/> | |
13526 <param name="force" value="false"/> | |
13527 <param name="test" value="true"/> | |
13528 </conditional> | |
13529 <param name="in" value="IDMerger_2_input1.idXML,IDMerger_2_input2.idXML"/> | |
13530 <output name="out" file="IDMerger_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13531 <param name="annotate_file_origin" value="false"/> | |
13532 <param name="pepxml_protxml" value="true"/> | |
13533 <param name="merge_proteins_add_PSMs" value="false"/> | |
13534 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13535 <output name="ctd_out" ftype="xml"> | |
13536 <assert_contents> | |
13537 <is_valid_xml/> | |
13538 </assert_contents> | |
13539 </output> | |
13540 </test> | |
13541 <test expect_num_outputs="2"> | |
13542 <conditional name="adv_opts_cond"> | |
13543 <param name="adv_opts_selector" value="advanced"/> | |
13544 <param name="force" value="false"/> | |
13545 <param name="test" value="true"/> | |
13546 </conditional> | |
13547 <param name="in" value="IDMerger_1_input1.idXML,IDMerger_1_input1_2.idXML"/> | |
13548 <output name="out" file="IDMerger_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13549 <param name="annotate_file_origin" value="false"/> | |
13550 <param name="pepxml_protxml" value="false"/> | |
13551 <param name="merge_proteins_add_PSMs" value="false"/> | |
13552 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13553 <output name="ctd_out" ftype="xml"> | |
13554 <assert_contents> | |
13555 <is_valid_xml/> | |
13556 </assert_contents> | |
13557 </output> | |
13558 </test> | |
13559 <test expect_num_outputs="2"> | |
13560 <conditional name="adv_opts_cond"> | |
13561 <param name="adv_opts_selector" value="advanced"/> | |
13562 <param name="force" value="false"/> | |
13563 <param name="test" value="true"/> | |
13564 </conditional> | |
13565 <param name="in" value="degenerated_empty.idXML,degenerated_empty_2.idXML"/> | |
13566 <output name="out" file="IDMerger_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13567 <param name="annotate_file_origin" value="false"/> | |
13568 <param name="pepxml_protxml" value="false"/> | |
13569 <param name="merge_proteins_add_PSMs" value="false"/> | |
13570 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13571 <output name="ctd_out" ftype="xml"> | |
13572 <assert_contents> | |
13573 <is_valid_xml/> | |
13574 </assert_contents> | |
13575 </output> | |
13576 </test> | |
13577 <test expect_num_outputs="2"> | |
13578 <conditional name="adv_opts_cond"> | |
13579 <param name="adv_opts_selector" value="advanced"/> | |
13580 <param name="force" value="false"/> | |
13581 <param name="test" value="true"/> | |
13582 </conditional> | |
13583 <param name="in" value="IDMerger_2_input1.idXML"/> | |
13584 <output name="out" file="IDMerger_5_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13585 <param name="add_to" value="IDMerger_5_input1.idXML"/> | |
13586 <param name="annotate_file_origin" value="false"/> | |
13587 <param name="pepxml_protxml" value="false"/> | |
13588 <param name="merge_proteins_add_PSMs" value="false"/> | |
13589 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13590 <output name="ctd_out" ftype="xml"> | |
13591 <assert_contents> | |
13592 <is_valid_xml/> | |
13593 </assert_contents> | |
13594 </output> | |
13595 </test> | |
13596 <test expect_num_outputs="2"> | |
13597 <conditional name="adv_opts_cond"> | |
13598 <param name="adv_opts_selector" value="advanced"/> | |
13599 <param name="force" value="false"/> | |
13600 <param name="test" value="true"/> | |
13601 </conditional> | |
13602 <param name="in" value="IDRipper_3_input1.idXML,IDRipper_3_input2.idXML"/> | |
13603 <output name="out" file="IDRipper_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13604 <param name="annotate_file_origin" value="true"/> | |
13605 <param name="pepxml_protxml" value="false"/> | |
13606 <param name="merge_proteins_add_PSMs" value="false"/> | |
13607 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13608 <output name="ctd_out" ftype="xml"> | |
13609 <assert_contents> | |
13610 <is_valid_xml/> | |
13611 </assert_contents> | |
13612 </output> | |
13613 </test> | |
13614 </xml> | |
13615 <xml name="autotest_IDPosteriorErrorProbability"> | |
13616 <test expect_num_outputs="2"> | |
13617 <conditional name="adv_opts_cond"> | |
13618 <param name="adv_opts_selector" value="advanced"/> | |
13619 <param name="fdr_for_targets_smaller" value="0.05"/> | |
13620 <param name="force" value="false"/> | |
13621 <param name="test" value="true"/> | |
13622 </conditional> | |
13623 <param name="in" value="IDPosteriorErrorProbability_Mascot_input.idXML"/> | |
13624 <output name="out" file="IDPosteriorErrorProbability_Mascot_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13625 <param name="split_charge" value="false"/> | |
13626 <param name="top_hits_only" value="false"/> | |
13627 <param name="ignore_bad_data" value="false"/> | |
13628 <param name="prob_correct" value="false"/> | |
13629 <section name="fit_algorithm"> | |
13630 <param name="number_of_bins" value="100"/> | |
13631 <param name="incorrectly_assigned" value="Gumbel"/> | |
13632 <param name="max_nr_iterations" value="1000"/> | |
13633 <param name="neg_log_delta" value="6"/> | |
13634 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
13635 </section> | |
13636 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13637 <output name="ctd_out" ftype="xml"> | |
13638 <assert_contents> | |
13639 <is_valid_xml/> | |
13640 </assert_contents> | |
13641 </output> | |
13642 </test> | |
13643 <test expect_num_outputs="2"> | |
13644 <conditional name="adv_opts_cond"> | |
13645 <param name="adv_opts_selector" value="advanced"/> | |
13646 <param name="fdr_for_targets_smaller" value="0.05"/> | |
13647 <param name="force" value="false"/> | |
13648 <param name="test" value="true"/> | |
13649 </conditional> | |
13650 <param name="in" value="IDPosteriorErrorProbability_XTandem_input.idXML"/> | |
13651 <output name="out" file="IDPosteriorErrorProbability_XTandem_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13652 <param name="split_charge" value="false"/> | |
13653 <param name="top_hits_only" value="false"/> | |
13654 <param name="ignore_bad_data" value="false"/> | |
13655 <param name="prob_correct" value="false"/> | |
13656 <section name="fit_algorithm"> | |
13657 <param name="number_of_bins" value="100"/> | |
13658 <param name="incorrectly_assigned" value="Gumbel"/> | |
13659 <param name="max_nr_iterations" value="1000"/> | |
13660 <param name="neg_log_delta" value="6"/> | |
13661 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
13662 </section> | |
13663 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13664 <output name="ctd_out" ftype="xml"> | |
13665 <assert_contents> | |
13666 <is_valid_xml/> | |
13667 </assert_contents> | |
13668 </output> | |
13669 </test> | |
13670 <test expect_num_outputs="2"> | |
13671 <conditional name="adv_opts_cond"> | |
13672 <param name="adv_opts_selector" value="advanced"/> | |
13673 <param name="fdr_for_targets_smaller" value="0.05"/> | |
13674 <param name="force" value="false"/> | |
13675 <param name="test" value="true"/> | |
13676 </conditional> | |
13677 <param name="in" value="IDPosteriorErrorProbability_OMSSA_input.idXML"/> | |
13678 <output name="out" file="IDPosteriorErrorProbability_OMSSA_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13679 <param name="split_charge" value="false"/> | |
13680 <param name="top_hits_only" value="false"/> | |
13681 <param name="ignore_bad_data" value="false"/> | |
13682 <param name="prob_correct" value="false"/> | |
13683 <section name="fit_algorithm"> | |
13684 <param name="number_of_bins" value="100"/> | |
13685 <param name="incorrectly_assigned" value="Gumbel"/> | |
13686 <param name="max_nr_iterations" value="1000"/> | |
13687 <param name="neg_log_delta" value="6"/> | |
13688 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
13689 </section> | |
13690 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13691 <output name="ctd_out" ftype="xml"> | |
13692 <assert_contents> | |
13693 <is_valid_xml/> | |
13694 </assert_contents> | |
13695 </output> | |
13696 </test> | |
13697 <test expect_num_outputs="2"> | |
13698 <conditional name="adv_opts_cond"> | |
13699 <param name="adv_opts_selector" value="advanced"/> | |
13700 <param name="fdr_for_targets_smaller" value="0.05"/> | |
13701 <param name="force" value="false"/> | |
13702 <param name="test" value="true"/> | |
13703 </conditional> | |
13704 <param name="in" value="IDPosteriorErrorProbability_OMSSA_input2.idXML"/> | |
13705 <output name="out" file="IDPosteriorErrorProbability_OMSSA_output2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13706 <param name="split_charge" value="true"/> | |
13707 <param name="top_hits_only" value="false"/> | |
13708 <param name="ignore_bad_data" value="false"/> | |
13709 <param name="prob_correct" value="false"/> | |
13710 <section name="fit_algorithm"> | |
13711 <param name="number_of_bins" value="100"/> | |
13712 <param name="incorrectly_assigned" value="Gumbel"/> | |
13713 <param name="max_nr_iterations" value="1000"/> | |
13714 <param name="neg_log_delta" value="6"/> | |
13715 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
13716 </section> | |
13717 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13718 <output name="ctd_out" ftype="xml"> | |
13719 <assert_contents> | |
13720 <is_valid_xml/> | |
13721 </assert_contents> | |
13722 </output> | |
13723 </test> | |
13724 <test expect_num_outputs="2"> | |
13725 <conditional name="adv_opts_cond"> | |
13726 <param name="adv_opts_selector" value="advanced"/> | |
13727 <param name="fdr_for_targets_smaller" value="0.05"/> | |
13728 <param name="force" value="false"/> | |
13729 <param name="test" value="true"/> | |
13730 </conditional> | |
13731 <param name="in" value="IDPosteriorErrorProbability_XTandem_input2.idXML"/> | |
13732 <output name="out" file="IDPosteriorErrorProbability_XTandem_output2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13733 <param name="split_charge" value="true"/> | |
13734 <param name="top_hits_only" value="false"/> | |
13735 <param name="ignore_bad_data" value="false"/> | |
13736 <param name="prob_correct" value="false"/> | |
13737 <section name="fit_algorithm"> | |
13738 <param name="number_of_bins" value="100"/> | |
13739 <param name="incorrectly_assigned" value="Gumbel"/> | |
13740 <param name="max_nr_iterations" value="1000"/> | |
13741 <param name="neg_log_delta" value="6"/> | |
13742 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
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="fdr_for_targets_smaller" value="0.05"/> | |
13755 <param name="force" value="false"/> | |
13756 <param name="test" value="true"/> | |
13757 </conditional> | |
13758 <param name="in" value="IDPosteriorErrorProbability_Mascot_input2.idXML"/> | |
13759 <output name="out" file="IDPosteriorErrorProbability_Mascot_output2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13760 <param name="split_charge" value="true"/> | |
13761 <param name="top_hits_only" value="false"/> | |
13762 <param name="ignore_bad_data" value="false"/> | |
13763 <param name="prob_correct" value="false"/> | |
13764 <section name="fit_algorithm"> | |
13765 <param name="number_of_bins" value="100"/> | |
13766 <param name="incorrectly_assigned" value="Gumbel"/> | |
13767 <param name="max_nr_iterations" value="1000"/> | |
13768 <param name="neg_log_delta" value="6"/> | |
13769 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
13770 </section> | |
13771 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13772 <output name="ctd_out" ftype="xml"> | |
13773 <assert_contents> | |
13774 <is_valid_xml/> | |
13775 </assert_contents> | |
13776 </output> | |
13777 </test> | |
13778 <test expect_num_outputs="2"> | |
13779 <conditional name="adv_opts_cond"> | |
13780 <param name="adv_opts_selector" value="advanced"/> | |
13781 <param name="fdr_for_targets_smaller" value="0.05"/> | |
13782 <param name="force" value="false"/> | |
13783 <param name="test" value="true"/> | |
13784 </conditional> | |
13785 <param name="in" value="IDPosteriorErrorProbability_bad_data.idXML"/> | |
13786 <output name="out" file="IDPosteriorErrorProbability_bad_data_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13787 <param name="split_charge" value="false"/> | |
13788 <param name="top_hits_only" value="false"/> | |
13789 <param name="ignore_bad_data" value="true"/> | |
13790 <param name="prob_correct" value="false"/> | |
13791 <section name="fit_algorithm"> | |
13792 <param name="number_of_bins" value="100"/> | |
13793 <param name="incorrectly_assigned" value="Gumbel"/> | |
13794 <param name="max_nr_iterations" value="1000"/> | |
13795 <param name="neg_log_delta" value="6"/> | |
13796 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
13797 </section> | |
13798 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13799 <output name="ctd_out" ftype="xml"> | |
13800 <assert_contents> | |
13801 <is_valid_xml/> | |
13802 </assert_contents> | |
13803 </output> | |
13804 </test> | |
13805 <test expect_num_outputs="2"> | |
13806 <conditional name="adv_opts_cond"> | |
13807 <param name="adv_opts_selector" value="advanced"/> | |
13808 <param name="fdr_for_targets_smaller" value="0.05"/> | |
13809 <param name="force" value="false"/> | |
13810 <param name="test" value="true"/> | |
13811 </conditional> | |
13812 <param name="in" value="IDPosteriorErrorProbability_OMSSA_input.idXML"/> | |
13813 <output name="out" file="IDPosteriorErrorProbability_prob_correct_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13814 <param name="split_charge" value="false"/> | |
13815 <param name="top_hits_only" value="false"/> | |
13816 <param name="ignore_bad_data" value="false"/> | |
13817 <param name="prob_correct" value="true"/> | |
13818 <section name="fit_algorithm"> | |
13819 <param name="number_of_bins" value="100"/> | |
13820 <param name="incorrectly_assigned" value="Gumbel"/> | |
13821 <param name="max_nr_iterations" value="1000"/> | |
13822 <param name="neg_log_delta" value="6"/> | |
13823 <param name="outlier_handling" value="ignore_iqr_outliers"/> | |
13824 </section> | |
13825 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13826 <output name="ctd_out" ftype="xml"> | |
13827 <assert_contents> | |
13828 <is_valid_xml/> | |
13829 </assert_contents> | |
13830 </output> | |
13831 </test> | |
13832 </xml> | |
13833 <xml name="autotest_IDRipper"/> | |
13834 <xml name="autotest_IDRTCalibration"> | |
13835 <test expect_num_outputs="2"> | |
13836 <conditional name="adv_opts_cond"> | |
13837 <param name="adv_opts_selector" value="advanced"/> | |
13838 <param name="force" value="false"/> | |
13839 <param name="test" value="true"/> | |
13840 </conditional> | |
13841 <param name="in" value="IDRTCalibration_1_input.idXML"/> | |
13842 <output name="out" file="IDRTCalibration_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13843 <param name="calibrant_1_reference" value="0.1"/> | |
13844 <param name="calibrant_2_reference" value="0.9"/> | |
13845 <param name="calibrant_1_input" value="10.0"/> | |
13846 <param name="calibrant_2_input" value="90.0"/> | |
13847 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13848 <output name="ctd_out" ftype="xml"> | |
13849 <assert_contents> | |
13850 <is_valid_xml/> | |
13851 </assert_contents> | |
13852 </output> | |
13853 </test> | |
13854 <test expect_num_outputs="2"> | |
13855 <conditional name="adv_opts_cond"> | |
13856 <param name="adv_opts_selector" value="advanced"/> | |
13857 <param name="force" value="false"/> | |
13858 <param name="test" value="true"/> | |
13859 </conditional> | |
13860 <param name="in" value="degenerated_empty.idXML"/> | |
13861 <output name="out" file="IDRTCalibration_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13862 <param name="calibrant_1_reference" value="0.1"/> | |
13863 <param name="calibrant_2_reference" value="0.9"/> | |
13864 <param name="calibrant_1_input" value="10.0"/> | |
13865 <param name="calibrant_2_input" value="90.0"/> | |
13866 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13867 <output name="ctd_out" ftype="xml"> | |
13868 <assert_contents> | |
13869 <is_valid_xml/> | |
13870 </assert_contents> | |
13871 </output> | |
13872 </test> | |
13873 </xml> | |
13874 <xml name="autotest_IDScoreSwitcher"> | |
13875 <test expect_num_outputs="2"> | |
13876 <conditional name="adv_opts_cond"> | |
13877 <param name="adv_opts_selector" value="advanced"/> | |
13878 <param name="force" value="false"/> | |
13879 <param name="test" value="true"/> | |
13880 </conditional> | |
13881 <param name="in" value="IDFileConverter_12_output.idXML"/> | |
13882 <output name="out" file="IDFileConverter_13_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13883 <param name="new_score" value="Percolator_PEP"/> | |
13884 <param name="new_score_orientation" value="lower_better"/> | |
13885 <param name="new_score_type" value="Posterior Error Probability"/> | |
13886 <param name="old_score" value="Percolator_qvalue"/> | |
13887 <param name="proteins" value="false"/> | |
13888 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13889 <output name="ctd_out" ftype="xml"> | |
13890 <assert_contents> | |
13891 <is_valid_xml/> | |
13892 </assert_contents> | |
13893 </output> | |
13894 </test> | |
13895 <test expect_num_outputs="2"> | |
13896 <conditional name="adv_opts_cond"> | |
13897 <param name="adv_opts_selector" value="advanced"/> | |
13898 <param name="force" value="false"/> | |
13899 <param name="test" value="true"/> | |
13900 </conditional> | |
13901 <param name="in" value="IDScoreSwitcher_2_input.idXML"/> | |
13902 <output name="out" file="IDScoreSwitcher_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13903 <param name="new_score" value="Posterior Probability_score"/> | |
13904 <param name="new_score_orientation" value="higher_better"/> | |
13905 <param name="new_score_type" value="Posterior Probability"/> | |
13906 <param name="old_score" value=""/> | |
13907 <param name="proteins" value="true"/> | |
13908 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
13909 <output name="ctd_out" ftype="xml"> | |
13910 <assert_contents> | |
13911 <is_valid_xml/> | |
13912 </assert_contents> | |
13913 </output> | |
13914 </test> | |
13915 </xml> | |
13916 <xml name="autotest_IDSplitter"> | |
13917 <test expect_num_outputs="3"> | |
13918 <conditional name="adv_opts_cond"> | |
13919 <param name="adv_opts_selector" value="advanced"/> | |
13920 <param name="force" value="false"/> | |
13921 <param name="test" value="true"/> | |
13922 </conditional> | |
13923 <param name="in" value="IDMapper_1_output.featureXML"/> | |
13924 <output name="out" file="IDSplitter_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
13925 <output name="id_out" file="IDSplitter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
13926 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,id_out_FLAG"/> | |
13927 <output name="ctd_out" ftype="xml"> | |
13928 <assert_contents> | |
13929 <is_valid_xml/> | |
13930 </assert_contents> | |
13931 </output> | |
13932 </test> | |
13933 </xml> | |
13934 <xml name="autotest_InternalCalibration"> | |
13935 <test expect_num_outputs="4"> | |
13936 <conditional name="adv_opts_cond"> | |
13937 <param name="adv_opts_selector" value="advanced"/> | |
13938 <param name="force" value="false"/> | |
13939 <param name="test" value="true"/> | |
13940 </conditional> | |
13941 <param name="in" value="InternalCalibration_1_BSA1.mzML"/> | |
13942 <output name="out" file="InternalCalibration_1_BSA1_out.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
13943 <param name="ppm_match_tolerance" value="25.0"/> | |
13944 <param name="ms_level" value="1"/> | |
13945 <param name="RT_chunking" value="-1.0"/> | |
13946 <section name="cal"> | |
13947 <param name="id_in" value="InternalCalibration_1_BSA1_OMSSA.idXML"/> | |
13948 <param name="lock_require_mono" value="false"/> | |
13949 <param name="lock_require_iso" value="false"/> | |
13950 <param name="model_type" value="linear"/> | |
13951 </section> | |
13952 <section name="RANSAC"> | |
13953 <param name="enabled" value="true"/> | |
13954 <param name="threshold" value="1.0"/> | |
13955 <param name="pc_inliers" value="30"/> | |
13956 <param name="iter" value="500"/> | |
13957 </section> | |
13958 <section name="goodness"> | |
13959 <param name="median" value="4.0"/> | |
13960 <param name="MAD" value="2.0"/> | |
13961 </section> | |
13962 <section name="quality_control"/> | |
13963 <output name="quality_control_models" file="InternalCalibration_1_models.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
13964 <output name="quality_control_residuals" file="InternalCalibration_1_residuals.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
13965 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,models_FLAG,residuals_FLAG"/> | |
13966 <output name="ctd_out" ftype="xml"> | |
13967 <assert_contents> | |
13968 <is_valid_xml/> | |
13969 </assert_contents> | |
13970 </output> | |
13971 </test> | |
13972 <test expect_num_outputs="4"> | |
13973 <conditional name="adv_opts_cond"> | |
13974 <param name="adv_opts_selector" value="advanced"/> | |
13975 <param name="force" value="false"/> | |
13976 <param name="test" value="true"/> | |
13977 </conditional> | |
13978 <param name="in" value="InternalCalibration_2_lockmass.mzML.gz"/> | |
13979 <output name="out" file="InternalCalibration_2_lockmass.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
13980 <param name="ppm_match_tolerance" value="25.0"/> | |
13981 <param name="ms_level" value="1 2 3"/> | |
13982 <param name="RT_chunking" value="60.0"/> | |
13983 <section name="cal"> | |
13984 <param name="lock_in" value="InternalCalibration_2_lock.csv" ftype="csv"/> | |
13985 <param name="lock_require_mono" value="true"/> | |
13986 <param name="lock_require_iso" value="false"/> | |
13987 <param name="model_type" value="linear"/> | |
13988 </section> | |
13989 <section name="RANSAC"> | |
13990 <param name="enabled" value="false"/> | |
13991 <param name="threshold" value="10.0"/> | |
13992 <param name="pc_inliers" value="30"/> | |
13993 <param name="iter" value="70"/> | |
13994 </section> | |
13995 <section name="goodness"> | |
13996 <param name="median" value="4.0"/> | |
13997 <param name="MAD" value="2.0"/> | |
13998 </section> | |
13999 <section name="quality_control"/> | |
14000 <output name="quality_control_models" file="InternalCalibration_2_models.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
14001 <output name="quality_control_residuals" file="InternalCalibration_2_residuals.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
14002 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,models_FLAG,residuals_FLAG"/> | |
14003 <output name="ctd_out" ftype="xml"> | |
14004 <assert_contents> | |
14005 <is_valid_xml/> | |
14006 </assert_contents> | |
14007 </output> | |
14008 </test> | |
14009 </xml> | |
14010 <xml name="autotest_IsobaricAnalyzer"> | |
14011 <test expect_num_outputs="2"> | |
14012 <conditional name="adv_opts_cond"> | |
14013 <param name="adv_opts_selector" value="advanced"/> | |
14014 <param name="force" value="false"/> | |
14015 <param name="test" value="true"/> | |
14016 </conditional> | |
14017 <param name="type" value="itraq4plex"/> | |
14018 <param name="in" value="IsobaricAnalyzer_input_1.mzML"/> | |
14019 <output name="out" file="IsobaricAnalyzer_output_1.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
14020 <section name="extraction"> | |
14021 <param name="select_activation" value=""/> | |
14022 <param name="reporter_mass_shift" value="0.1"/> | |
14023 <param name="min_precursor_intensity" value="1.0"/> | |
14024 <param name="keep_unannotated_precursor" value="true"/> | |
14025 <param name="min_reporter_intensity" value="0.0"/> | |
14026 <param name="discard_low_intensity_quantifications" value="false"/> | |
14027 <param name="min_precursor_purity" value="0.0"/> | |
14028 <param name="precursor_isotope_deviation" value="10.0"/> | |
14029 <param name="purity_interpolation" value="true"/> | |
14030 </section> | |
14031 <section name="itraq4plex"> | |
14032 <param name="channel_114_description" value="l1"/> | |
14033 <param name="channel_115_description" value="l2"/> | |
14034 <param name="channel_116_description" value="l3"/> | |
14035 <param name="channel_117_description" value="lung"/> | |
14036 <param name="reference_channel" value="114"/> | |
14037 <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""/> | |
14038 </section> | |
14039 <section name="itraq8plex"> | |
14040 <param name="channel_113_description" value=""/> | |
14041 <param name="channel_114_description" value=""/> | |
14042 <param name="channel_115_description" value=""/> | |
14043 <param name="channel_116_description" value=""/> | |
14044 <param name="channel_117_description" value=""/> | |
14045 <param name="channel_118_description" value=""/> | |
14046 <param name="channel_119_description" value=""/> | |
14047 <param name="channel_121_description" value=""/> | |
14048 <param name="reference_channel" value="113"/> | |
14049 <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""/> | |
14050 </section> | |
14051 <section name="quantification"> | |
14052 <param name="isotope_correction" value="true"/> | |
14053 <param name="normalization" value="false"/> | |
14054 </section> | |
14055 <section name="tmt10plex"> | |
14056 <param name="channel_126_description" value=""/> | |
14057 <param name="channel_127N_description" value=""/> | |
14058 <param name="channel_127C_description" value=""/> | |
14059 <param name="channel_128N_description" value=""/> | |
14060 <param name="channel_128C_description" value=""/> | |
14061 <param name="channel_129N_description" value=""/> | |
14062 <param name="channel_129C_description" value=""/> | |
14063 <param name="channel_130N_description" value=""/> | |
14064 <param name="channel_130C_description" value=""/> | |
14065 <param name="channel_131_description" value=""/> | |
14066 <param name="reference_channel" value="126"/> | |
14067 <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""/> | |
14068 </section> | |
14069 <section name="tmt11plex"> | |
14070 <param name="channel_126_description" value=""/> | |
14071 <param name="channel_127N_description" value=""/> | |
14072 <param name="channel_127C_description" value=""/> | |
14073 <param name="channel_128N_description" value=""/> | |
14074 <param name="channel_128C_description" value=""/> | |
14075 <param name="channel_129N_description" value=""/> | |
14076 <param name="channel_129C_description" value=""/> | |
14077 <param name="channel_130N_description" value=""/> | |
14078 <param name="channel_130C_description" value=""/> | |
14079 <param name="channel_131N_description" value=""/> | |
14080 <param name="channel_131C_description" value=""/> | |
14081 <param name="reference_channel" value="126"/> | |
14082 <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""/> | |
14083 </section> | |
14084 <section name="tmt16plex"> | |
14085 <param name="channel_126_description" value=""/> | |
14086 <param name="channel_127N_description" value=""/> | |
14087 <param name="channel_127C_description" value=""/> | |
14088 <param name="channel_128N_description" value=""/> | |
14089 <param name="channel_128C_description" value=""/> | |
14090 <param name="channel_129N_description" value=""/> | |
14091 <param name="channel_129C_description" value=""/> | |
14092 <param name="channel_130N_description" value=""/> | |
14093 <param name="channel_130C_description" value=""/> | |
14094 <param name="channel_131N_description" value=""/> | |
14095 <param name="channel_131C_description" value=""/> | |
14096 <param name="channel_132N_description" value=""/> | |
14097 <param name="channel_132C_description" value=""/> | |
14098 <param name="channel_133N_description" value=""/> | |
14099 <param name="channel_133C_description" value=""/> | |
14100 <param name="channel_134N_description" value=""/> | |
14101 <param name="reference_channel" value="126"/> | |
14102 <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""/> | |
14103 </section> | |
14104 <section name="tmt6plex"> | |
14105 <param name="channel_126_description" value=""/> | |
14106 <param name="channel_127_description" value=""/> | |
14107 <param name="channel_128_description" value=""/> | |
14108 <param name="channel_129_description" value=""/> | |
14109 <param name="channel_130_description" value=""/> | |
14110 <param name="channel_131_description" value=""/> | |
14111 <param name="reference_channel" value="126"/> | |
14112 <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""/> | |
14113 </section> | |
14114 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14115 <output name="ctd_out" ftype="xml"> | |
14116 <assert_contents> | |
14117 <is_valid_xml/> | |
14118 </assert_contents> | |
14119 </output> | |
14120 </test> | |
14121 <test expect_num_outputs="2"> | |
14122 <conditional name="adv_opts_cond"> | |
14123 <param name="adv_opts_selector" value="advanced"/> | |
14124 <param name="force" value="false"/> | |
14125 <param name="test" value="true"/> | |
14126 </conditional> | |
14127 <param name="type" value="itraq4plex"/> | |
14128 <param name="in" value="TMTTenPlexMethod_test.mzML"/> | |
14129 <output name="out" file="TMTTenPlexMethod_test.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
14130 <section name="extraction"> | |
14131 <param name="select_activation" value="High-energy collision-induced dissociation"/> | |
14132 <param name="reporter_mass_shift" value="0.002"/> | |
14133 <param name="min_precursor_intensity" value="1.0"/> | |
14134 <param name="keep_unannotated_precursor" value="true"/> | |
14135 <param name="min_reporter_intensity" value="0.0"/> | |
14136 <param name="discard_low_intensity_quantifications" value="false"/> | |
14137 <param name="min_precursor_purity" value="0.0"/> | |
14138 <param name="precursor_isotope_deviation" value="10.0"/> | |
14139 <param name="purity_interpolation" value="true"/> | |
14140 </section> | |
14141 <section name="itraq4plex"> | |
14142 <param name="channel_114_description" value=""/> | |
14143 <param name="channel_115_description" value=""/> | |
14144 <param name="channel_116_description" value=""/> | |
14145 <param name="channel_117_description" value=""/> | |
14146 <param name="reference_channel" value="114"/> | |
14147 <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""/> | |
14148 </section> | |
14149 <section name="itraq8plex"> | |
14150 <param name="channel_113_description" value=""/> | |
14151 <param name="channel_114_description" value=""/> | |
14152 <param name="channel_115_description" value=""/> | |
14153 <param name="channel_116_description" value=""/> | |
14154 <param name="channel_117_description" value=""/> | |
14155 <param name="channel_118_description" value=""/> | |
14156 <param name="channel_119_description" value=""/> | |
14157 <param name="channel_121_description" value=""/> | |
14158 <param name="reference_channel" value="113"/> | |
14159 <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""/> | |
14160 </section> | |
14161 <section name="quantification"> | |
14162 <param name="isotope_correction" value="true"/> | |
14163 <param name="normalization" value="false"/> | |
14164 </section> | |
14165 <section name="tmt10plex"> | |
14166 <param name="channel_126_description" value=""/> | |
14167 <param name="channel_127N_description" value=""/> | |
14168 <param name="channel_127C_description" value=""/> | |
14169 <param name="channel_128N_description" value=""/> | |
14170 <param name="channel_128C_description" value=""/> | |
14171 <param name="channel_129N_description" value=""/> | |
14172 <param name="channel_129C_description" value=""/> | |
14173 <param name="channel_130N_description" value=""/> | |
14174 <param name="channel_130C_description" value=""/> | |
14175 <param name="channel_131_description" value=""/> | |
14176 <param name="reference_channel" value="126"/> | |
14177 <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""/> | |
14178 </section> | |
14179 <section name="tmt11plex"> | |
14180 <param name="channel_126_description" value=""/> | |
14181 <param name="channel_127N_description" value=""/> | |
14182 <param name="channel_127C_description" value=""/> | |
14183 <param name="channel_128N_description" value=""/> | |
14184 <param name="channel_128C_description" value=""/> | |
14185 <param name="channel_129N_description" value=""/> | |
14186 <param name="channel_129C_description" value=""/> | |
14187 <param name="channel_130N_description" value=""/> | |
14188 <param name="channel_130C_description" value=""/> | |
14189 <param name="channel_131N_description" value=""/> | |
14190 <param name="channel_131C_description" value=""/> | |
14191 <param name="reference_channel" value="126"/> | |
14192 <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""/> | |
14193 </section> | |
14194 <section name="tmt16plex"> | |
14195 <param name="channel_126_description" value=""/> | |
14196 <param name="channel_127N_description" value=""/> | |
14197 <param name="channel_127C_description" value=""/> | |
14198 <param name="channel_128N_description" value=""/> | |
14199 <param name="channel_128C_description" value=""/> | |
14200 <param name="channel_129N_description" value=""/> | |
14201 <param name="channel_129C_description" value=""/> | |
14202 <param name="channel_130N_description" value=""/> | |
14203 <param name="channel_130C_description" value=""/> | |
14204 <param name="channel_131N_description" value=""/> | |
14205 <param name="channel_131C_description" value=""/> | |
14206 <param name="channel_132N_description" value=""/> | |
14207 <param name="channel_132C_description" value=""/> | |
14208 <param name="channel_133N_description" value=""/> | |
14209 <param name="channel_133C_description" value=""/> | |
14210 <param name="channel_134N_description" value=""/> | |
14211 <param name="reference_channel" value="126"/> | |
14212 <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""/> | |
14213 </section> | |
14214 <section name="tmt6plex"> | |
14215 <param name="channel_126_description" value=""/> | |
14216 <param name="channel_127_description" value=""/> | |
14217 <param name="channel_128_description" value=""/> | |
14218 <param name="channel_129_description" value=""/> | |
14219 <param name="channel_130_description" value=""/> | |
14220 <param name="channel_131_description" value=""/> | |
14221 <param name="reference_channel" value="126"/> | |
14222 <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""/> | |
14223 </section> | |
14224 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14225 <output name="ctd_out" ftype="xml"> | |
14226 <assert_contents> | |
14227 <is_valid_xml/> | |
14228 </assert_contents> | |
14229 </output> | |
14230 </test> | |
14231 <test expect_num_outputs="2"> | |
14232 <conditional name="adv_opts_cond"> | |
14233 <param name="adv_opts_selector" value="advanced"/> | |
14234 <param name="force" value="false"/> | |
14235 <param name="test" value="true"/> | |
14236 </conditional> | |
14237 <param name="type" value="itraq4plex"/> | |
14238 <param name="in" value="TMTTenPlexMethod_test.mzML"/> | |
14239 <output name="out" file="TMTElevenPlexMethod_test.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
14240 <section name="extraction"> | |
14241 <param name="select_activation" value="High-energy collision-induced dissociation"/> | |
14242 <param name="reporter_mass_shift" value="0.002"/> | |
14243 <param name="min_precursor_intensity" value="1.0"/> | |
14244 <param name="keep_unannotated_precursor" value="true"/> | |
14245 <param name="min_reporter_intensity" value="0.0"/> | |
14246 <param name="discard_low_intensity_quantifications" value="false"/> | |
14247 <param name="min_precursor_purity" value="0.0"/> | |
14248 <param name="precursor_isotope_deviation" value="10.0"/> | |
14249 <param name="purity_interpolation" value="true"/> | |
14250 </section> | |
14251 <section name="itraq4plex"> | |
14252 <param name="channel_114_description" value=""/> | |
14253 <param name="channel_115_description" value=""/> | |
14254 <param name="channel_116_description" value=""/> | |
14255 <param name="channel_117_description" value=""/> | |
14256 <param name="reference_channel" value="114"/> | |
14257 <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""/> | |
14258 </section> | |
14259 <section name="itraq8plex"> | |
14260 <param name="channel_113_description" value=""/> | |
14261 <param name="channel_114_description" value=""/> | |
14262 <param name="channel_115_description" value=""/> | |
14263 <param name="channel_116_description" value=""/> | |
14264 <param name="channel_117_description" value=""/> | |
14265 <param name="channel_118_description" value=""/> | |
14266 <param name="channel_119_description" value=""/> | |
14267 <param name="channel_121_description" value=""/> | |
14268 <param name="reference_channel" value="113"/> | |
14269 <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""/> | |
14270 </section> | |
14271 <section name="quantification"> | |
14272 <param name="isotope_correction" value="true"/> | |
14273 <param name="normalization" value="false"/> | |
14274 </section> | |
14275 <section name="tmt10plex"> | |
14276 <param name="channel_126_description" value=""/> | |
14277 <param name="channel_127N_description" value=""/> | |
14278 <param name="channel_127C_description" value=""/> | |
14279 <param name="channel_128N_description" value=""/> | |
14280 <param name="channel_128C_description" value=""/> | |
14281 <param name="channel_129N_description" value=""/> | |
14282 <param name="channel_129C_description" value=""/> | |
14283 <param name="channel_130N_description" value=""/> | |
14284 <param name="channel_130C_description" value=""/> | |
14285 <param name="channel_131_description" value=""/> | |
14286 <param name="reference_channel" value="126"/> | |
14287 <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""/> | |
14288 </section> | |
14289 <section name="tmt11plex"> | |
14290 <param name="channel_126_description" value=""/> | |
14291 <param name="channel_127N_description" value=""/> | |
14292 <param name="channel_127C_description" value=""/> | |
14293 <param name="channel_128N_description" value=""/> | |
14294 <param name="channel_128C_description" value=""/> | |
14295 <param name="channel_129N_description" value=""/> | |
14296 <param name="channel_129C_description" value=""/> | |
14297 <param name="channel_130N_description" value=""/> | |
14298 <param name="channel_130C_description" value=""/> | |
14299 <param name="channel_131N_description" value=""/> | |
14300 <param name="channel_131C_description" value=""/> | |
14301 <param name="reference_channel" value="126"/> | |
14302 <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""/> | |
14303 </section> | |
14304 <section name="tmt16plex"> | |
14305 <param name="channel_126_description" value=""/> | |
14306 <param name="channel_127N_description" value=""/> | |
14307 <param name="channel_127C_description" value=""/> | |
14308 <param name="channel_128N_description" value=""/> | |
14309 <param name="channel_128C_description" value=""/> | |
14310 <param name="channel_129N_description" value=""/> | |
14311 <param name="channel_129C_description" value=""/> | |
14312 <param name="channel_130N_description" value=""/> | |
14313 <param name="channel_130C_description" value=""/> | |
14314 <param name="channel_131N_description" value=""/> | |
14315 <param name="channel_131C_description" value=""/> | |
14316 <param name="channel_132N_description" value=""/> | |
14317 <param name="channel_132C_description" value=""/> | |
14318 <param name="channel_133N_description" value=""/> | |
14319 <param name="channel_133C_description" value=""/> | |
14320 <param name="channel_134N_description" value=""/> | |
14321 <param name="reference_channel" value="126"/> | |
14322 <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""/> | |
14323 </section> | |
14324 <section name="tmt6plex"> | |
14325 <param name="channel_126_description" value=""/> | |
14326 <param name="channel_127_description" value=""/> | |
14327 <param name="channel_128_description" value=""/> | |
14328 <param name="channel_129_description" value=""/> | |
14329 <param name="channel_130_description" value=""/> | |
14330 <param name="channel_131_description" value=""/> | |
14331 <param name="reference_channel" value="126"/> | |
14332 <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""/> | |
14333 </section> | |
14334 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14335 <output name="ctd_out" ftype="xml"> | |
14336 <assert_contents> | |
14337 <is_valid_xml/> | |
14338 </assert_contents> | |
14339 </output> | |
14340 </test> | |
14341 <test expect_num_outputs="2"> | |
14342 <conditional name="adv_opts_cond"> | |
14343 <param name="adv_opts_selector" value="advanced"/> | |
14344 <param name="force" value="false"/> | |
14345 <param name="test" value="true"/> | |
14346 </conditional> | |
14347 <param name="type" value="tmt10plex"/> | |
14348 <param name="in" value="MS3_nonHierarchical.mzML"/> | |
14349 <output name="out" file="MS3TMT10Plex_test.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
14350 <section name="extraction"> | |
14351 <param name="select_activation" value="Collision-induced dissociation"/> | |
14352 <param name="reporter_mass_shift" value="0.002"/> | |
14353 <param name="min_precursor_intensity" value="1.0"/> | |
14354 <param name="keep_unannotated_precursor" value="true"/> | |
14355 <param name="min_reporter_intensity" value="0.0"/> | |
14356 <param name="discard_low_intensity_quantifications" value="false"/> | |
14357 <param name="min_precursor_purity" value="0.0"/> | |
14358 <param name="precursor_isotope_deviation" value="10.0"/> | |
14359 <param name="purity_interpolation" value="true"/> | |
14360 </section> | |
14361 <section name="itraq4plex"> | |
14362 <param name="channel_114_description" value=""/> | |
14363 <param name="channel_115_description" value=""/> | |
14364 <param name="channel_116_description" value=""/> | |
14365 <param name="channel_117_description" value=""/> | |
14366 <param name="reference_channel" value="114"/> | |
14367 <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""/> | |
14368 </section> | |
14369 <section name="itraq8plex"> | |
14370 <param name="channel_113_description" value=""/> | |
14371 <param name="channel_114_description" value=""/> | |
14372 <param name="channel_115_description" value=""/> | |
14373 <param name="channel_116_description" value=""/> | |
14374 <param name="channel_117_description" value=""/> | |
14375 <param name="channel_118_description" value=""/> | |
14376 <param name="channel_119_description" value=""/> | |
14377 <param name="channel_121_description" value=""/> | |
14378 <param name="reference_channel" value="113"/> | |
14379 <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""/> | |
14380 </section> | |
14381 <section name="quantification"> | |
14382 <param name="isotope_correction" value="true"/> | |
14383 <param name="normalization" value="false"/> | |
14384 </section> | |
14385 <section name="tmt10plex"> | |
14386 <param name="channel_126_description" value=""/> | |
14387 <param name="channel_127N_description" value=""/> | |
14388 <param name="channel_127C_description" value=""/> | |
14389 <param name="channel_128N_description" value=""/> | |
14390 <param name="channel_128C_description" value=""/> | |
14391 <param name="channel_129N_description" value=""/> | |
14392 <param name="channel_129C_description" value=""/> | |
14393 <param name="channel_130N_description" value=""/> | |
14394 <param name="channel_130C_description" value=""/> | |
14395 <param name="channel_131_description" value=""/> | |
14396 <param name="reference_channel" value="126"/> | |
14397 <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""/> | |
14398 </section> | |
14399 <section name="tmt11plex"> | |
14400 <param name="channel_126_description" value=""/> | |
14401 <param name="channel_127N_description" value=""/> | |
14402 <param name="channel_127C_description" value=""/> | |
14403 <param name="channel_128N_description" value=""/> | |
14404 <param name="channel_128C_description" value=""/> | |
14405 <param name="channel_129N_description" value=""/> | |
14406 <param name="channel_129C_description" value=""/> | |
14407 <param name="channel_130N_description" value=""/> | |
14408 <param name="channel_130C_description" value=""/> | |
14409 <param name="channel_131N_description" value=""/> | |
14410 <param name="channel_131C_description" value=""/> | |
14411 <param name="reference_channel" value="126"/> | |
14412 <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""/> | |
14413 </section> | |
14414 <section name="tmt16plex"> | |
14415 <param name="channel_126_description" value=""/> | |
14416 <param name="channel_127N_description" value=""/> | |
14417 <param name="channel_127C_description" value=""/> | |
14418 <param name="channel_128N_description" value=""/> | |
14419 <param name="channel_128C_description" value=""/> | |
14420 <param name="channel_129N_description" value=""/> | |
14421 <param name="channel_129C_description" value=""/> | |
14422 <param name="channel_130N_description" value=""/> | |
14423 <param name="channel_130C_description" value=""/> | |
14424 <param name="channel_131N_description" value=""/> | |
14425 <param name="channel_131C_description" value=""/> | |
14426 <param name="channel_132N_description" value=""/> | |
14427 <param name="channel_132C_description" value=""/> | |
14428 <param name="channel_133N_description" value=""/> | |
14429 <param name="channel_133C_description" value=""/> | |
14430 <param name="channel_134N_description" value=""/> | |
14431 <param name="reference_channel" value="126"/> | |
14432 <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""/> | |
14433 </section> | |
14434 <section name="tmt6plex"> | |
14435 <param name="channel_126_description" value=""/> | |
14436 <param name="channel_127_description" value=""/> | |
14437 <param name="channel_128_description" value=""/> | |
14438 <param name="channel_129_description" value=""/> | |
14439 <param name="channel_130_description" value=""/> | |
14440 <param name="channel_131_description" value=""/> | |
14441 <param name="reference_channel" value="126"/> | |
14442 <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""/> | |
14443 </section> | |
14444 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14445 <output name="ctd_out" ftype="xml"> | |
14446 <assert_contents> | |
14447 <is_valid_xml/> | |
14448 </assert_contents> | |
14449 </output> | |
14450 </test> | |
14451 </xml> | |
14452 <xml name="autotest_LabeledEval"> | |
14453 </xml> | |
14454 <xml name="autotest_LowMemPeakPickerHiResRandomAccess"> | |
14455 <test expect_num_outputs="2"> | |
14456 <conditional name="adv_opts_cond"> | |
14457 <param name="adv_opts_selector" value="advanced"/> | |
14458 <param name="force" value="false"/> | |
14459 <param name="test" value="true"/> | |
14460 </conditional> | |
14461 <param name="in" value="PeakPickerHiRes_RandomAccess_input.mzML"/> | |
14462 <output name="out" file="LowMemPeakPickerHiRes_RandomAccess_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
14463 <section name="algorithm"> | |
14464 <param name="signal_to_noise" value="1.0"/> | |
14465 <param name="spacing_difference_gap" value="4.0"/> | |
14466 <param name="spacing_difference" value="1.5"/> | |
14467 <param name="missing" value="1"/> | |
14468 <param name="ms_levels" value="1"/> | |
14469 <param name="report_FWHM" value="false"/> | |
14470 <param name="report_FWHM_unit" value="relative"/> | |
14471 <section name="SignalToNoise"> | |
14472 <param name="max_intensity" value="-1"/> | |
14473 <param name="auto_max_stdev_factor" value="3.0"/> | |
14474 <param name="auto_max_percentile" value="95"/> | |
14475 <param name="auto_mode" value="0"/> | |
14476 <param name="win_len" value="200.0"/> | |
14477 <param name="bin_count" value="30"/> | |
14478 <param name="min_required_elements" value="10"/> | |
14479 <param name="noise_for_empty_window" value="1e+20"/> | |
14480 <param name="write_log_messages" value="true"/> | |
14481 </section> | |
14482 </section> | |
14483 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14484 <output name="ctd_out" ftype="xml"> | |
14485 <assert_contents> | |
14486 <is_valid_xml/> | |
14487 </assert_contents> | |
14488 </output> | |
14489 </test> | |
14490 </xml> | |
14491 <xml name="autotest_LowMemPeakPickerHiRes"> | |
14492 <test expect_num_outputs="2"> | |
14493 <conditional name="adv_opts_cond"> | |
14494 <param name="adv_opts_selector" value="advanced"/> | |
14495 <param name="force" value="false"/> | |
14496 <param name="test" value="true"/> | |
14497 </conditional> | |
14498 <param name="in" value="PeakPickerHiRes_input.mzML"/> | |
14499 <output name="out" file="LowMemPeakPickerHiRes_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
14500 <section name="algorithm"> | |
14501 <param name="signal_to_noise" value="1.0"/> | |
14502 <param name="spacing_difference_gap" value="4.0"/> | |
14503 <param name="spacing_difference" value="1.5"/> | |
14504 <param name="missing" value="1"/> | |
14505 <param name="ms_levels" value="1"/> | |
14506 <param name="report_FWHM" value="false"/> | |
14507 <param name="report_FWHM_unit" value="relative"/> | |
14508 <section name="SignalToNoise"> | |
14509 <param name="max_intensity" value="-1"/> | |
14510 <param name="auto_max_stdev_factor" value="3.0"/> | |
14511 <param name="auto_max_percentile" value="95"/> | |
14512 <param name="auto_mode" value="0"/> | |
14513 <param name="win_len" value="200.0"/> | |
14514 <param name="bin_count" value="30"/> | |
14515 <param name="min_required_elements" value="10"/> | |
14516 <param name="noise_for_empty_window" value="1e+20"/> | |
14517 <param name="write_log_messages" value="true"/> | |
14518 </section> | |
14519 </section> | |
14520 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14521 <output name="ctd_out" ftype="xml"> | |
14522 <assert_contents> | |
14523 <is_valid_xml/> | |
14524 </assert_contents> | |
14525 </output> | |
14526 </test> | |
14527 </xml> | |
14528 <xml name="autotest_LuciphorAdapter"> | |
14529 <test expect_num_outputs="2"> | |
14530 <conditional name="adv_opts_cond"> | |
14531 <param name="adv_opts_selector" value="advanced"/> | |
14532 <param name="force" value="false"/> | |
14533 <param name="test" value="true"/> | |
14534 </conditional> | |
14535 <param name="in" value="LuciphorAdapter_1_input.mzML"/> | |
14536 <param name="id" value="LuciphorAdapter_1_input.idXML"/> | |
14537 <output name="out" file="LuciphorAdapter_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
14538 <param name="fragment_method" value="CID"/> | |
14539 <param name="fragment_mass_tolerance" value="0.5"/> | |
14540 <param name="fragment_error_units" value="Da"/> | |
14541 <param name="min_mz" value="150.0"/> | |
14542 <param name="target_modifications" value="Phospho (S),Phospho (T),Phospho (Y)"/> | |
14543 <param name="neutral_losses" value=""sty -H3PO4 -97.97690""/> | |
14544 <param name="decoy_mass" value="79.966331"/> | |
14545 <param name="decoy_neutral_losses" value=""X -H3PO4 -97.97690""/> | |
14546 <param name="max_charge_state" value="5"/> | |
14547 <param name="max_peptide_length" value="40"/> | |
14548 <param name="max_num_perm" value="16384"/> | |
14549 <param name="modeling_score_threshold" value="0.95"/> | |
14550 <param name="scoring_threshold" value="0.0"/> | |
14551 <param name="min_num_psms_model" value="1"/> | |
14552 <param name="run_mode" value="0"/> | |
14553 <param name="rt_tolerance" value="0.01"/> | |
14554 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
14555 <output name="ctd_out" ftype="xml"> | |
14556 <assert_contents> | |
14557 <is_valid_xml/> | |
14558 </assert_contents> | |
14559 </output> | |
14560 </test> | |
14561 </xml> | |
14562 <xml name="autotest_MapAlignerIdentification"> | |
14563 <test expect_num_outputs="2"> | |
14564 <conditional name="adv_opts_cond"> | |
14565 <param name="adv_opts_selector" value="advanced"/> | |
14566 <param name="force" value="false"/> | |
14567 <param name="test" value="true"/> | |
14568 </conditional> | |
14569 <param name="in" value="MapAlignerIdentification_1_input1.featureXML,MapAlignerIdentification_1_input2.featureXML"/> | |
14570 <output_collection name="out" count="2"/> | |
14571 <section name="reference"> | |
14572 <param name="index" value="0"/> | |
14573 </section> | |
14574 <section name="algorithm"> | |
14575 <param name="score_cutoff" value="false"/> | |
14576 <param name="min_score" value="0.05"/> | |
14577 <param name="min_run_occur" value="2"/> | |
14578 <param name="max_rt_shift" value="0.0"/> | |
14579 <param name="use_unassigned_peptides" value="true"/> | |
14580 <param name="use_feature_rt" value="false"/> | |
14581 </section> | |
14582 <section name="model"> | |
14583 <param name="type" value="b_spline"/> | |
14584 <section name="linear"> | |
14585 <param name="symmetric_regression" value="false"/> | |
14586 <param name="x_weight" value=""/> | |
14587 <param name="y_weight" value=""/> | |
14588 <param name="x_datum_min" value="1e-15"/> | |
14589 <param name="x_datum_max" value="1000000000000000.0"/> | |
14590 <param name="y_datum_min" value="1e-15"/> | |
14591 <param name="y_datum_max" value="1000000000000000.0"/> | |
14592 </section> | |
14593 <section name="b_spline"> | |
14594 <param name="wavelength" value="0.0"/> | |
14595 <param name="num_nodes" value="5"/> | |
14596 <param name="extrapolate" value="linear"/> | |
14597 <param name="boundary_condition" value="2"/> | |
14598 </section> | |
14599 <section name="lowess"> | |
14600 <param name="span" value="0.666666666666667"/> | |
14601 <param name="num_iterations" value="3"/> | |
14602 <param name="delta" value="-1.0"/> | |
14603 <param name="interpolation_type" value="cspline"/> | |
14604 <param name="extrapolation_type" value="four-point-linear"/> | |
14605 </section> | |
14606 <section name="interpolated"> | |
14607 <param name="interpolation_type" value="cspline"/> | |
14608 <param name="extrapolation_type" value="two-point-linear"/> | |
14609 </section> | |
14610 </section> | |
14611 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
14612 <output name="ctd_out" ftype="xml"> | |
14613 <assert_contents> | |
14614 <is_valid_xml/> | |
14615 </assert_contents> | |
14616 </output> | |
14617 </test> | |
14618 <test expect_num_outputs="2"> | |
14619 <conditional name="adv_opts_cond"> | |
14620 <param name="adv_opts_selector" value="advanced"/> | |
14621 <param name="force" value="false"/> | |
14622 <param name="test" value="true"/> | |
14623 </conditional> | |
14624 <param name="in" value="MapAlignerIdentification_1_input1.featureXML"/> | |
14625 <output_collection name="out" count="1"/> | |
14626 <section name="reference"> | |
14627 <param name="file" value="MapAlignerIdentification_1_input2.featureXML"/> | |
14628 <param name="index" value="0"/> | |
14629 </section> | |
14630 <section name="algorithm"> | |
14631 <param name="score_cutoff" value="false"/> | |
14632 <param name="min_score" value="0.05"/> | |
14633 <param name="min_run_occur" value="2"/> | |
14634 <param name="max_rt_shift" value="0.0"/> | |
14635 <param name="use_unassigned_peptides" value="true"/> | |
14636 <param name="use_feature_rt" value="false"/> | |
14637 </section> | |
14638 <section name="model"> | |
14639 <param name="type" value="b_spline"/> | |
14640 <section name="linear"> | |
14641 <param name="symmetric_regression" value="false"/> | |
14642 <param name="x_weight" value=""/> | |
14643 <param name="y_weight" value=""/> | |
14644 <param name="x_datum_min" value="1e-15"/> | |
14645 <param name="x_datum_max" value="1000000000000000.0"/> | |
14646 <param name="y_datum_min" value="1e-15"/> | |
14647 <param name="y_datum_max" value="1000000000000000.0"/> | |
14648 </section> | |
14649 <section name="b_spline"> | |
14650 <param name="wavelength" value="0.0"/> | |
14651 <param name="num_nodes" value="5"/> | |
14652 <param name="extrapolate" value="linear"/> | |
14653 <param name="boundary_condition" value="2"/> | |
14654 </section> | |
14655 <section name="lowess"> | |
14656 <param name="span" value="0.666666666666667"/> | |
14657 <param name="num_iterations" value="3"/> | |
14658 <param name="delta" value="-1.0"/> | |
14659 <param name="interpolation_type" value="cspline"/> | |
14660 <param name="extrapolation_type" value="four-point-linear"/> | |
14661 </section> | |
14662 <section name="interpolated"> | |
14663 <param name="interpolation_type" value="cspline"/> | |
14664 <param name="extrapolation_type" value="two-point-linear"/> | |
14665 </section> | |
14666 </section> | |
14667 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
14668 <output name="ctd_out" ftype="xml"> | |
14669 <assert_contents> | |
14670 <is_valid_xml/> | |
14671 </assert_contents> | |
14672 </output> | |
14673 </test> | |
14674 <test expect_num_outputs="2"> | |
14675 <conditional name="adv_opts_cond"> | |
14676 <param name="adv_opts_selector" value="advanced"/> | |
14677 <param name="force" value="false"/> | |
14678 <param name="test" value="true"/> | |
14679 </conditional> | |
14680 <param name="in" value="MapAlignerIdentification_1_input2.featureXML,MapAlignerIdentification_1_input1.featureXML"/> | |
14681 <output_collection name="out" count="2"/> | |
14682 <section name="reference"> | |
14683 <param name="index" value="1"/> | |
14684 </section> | |
14685 <section name="algorithm"> | |
14686 <param name="score_cutoff" value="false"/> | |
14687 <param name="min_score" value="0.05"/> | |
14688 <param name="min_run_occur" value="2"/> | |
14689 <param name="max_rt_shift" value="0.0"/> | |
14690 <param name="use_unassigned_peptides" value="true"/> | |
14691 <param name="use_feature_rt" value="false"/> | |
14692 </section> | |
14693 <section name="model"> | |
14694 <param name="type" value="b_spline"/> | |
14695 <section name="linear"> | |
14696 <param name="symmetric_regression" value="false"/> | |
14697 <param name="x_weight" value=""/> | |
14698 <param name="y_weight" value=""/> | |
14699 <param name="x_datum_min" value="1e-15"/> | |
14700 <param name="x_datum_max" value="1000000000000000.0"/> | |
14701 <param name="y_datum_min" value="1e-15"/> | |
14702 <param name="y_datum_max" value="1000000000000000.0"/> | |
14703 </section> | |
14704 <section name="b_spline"> | |
14705 <param name="wavelength" value="0.0"/> | |
14706 <param name="num_nodes" value="5"/> | |
14707 <param name="extrapolate" value="linear"/> | |
14708 <param name="boundary_condition" value="2"/> | |
14709 </section> | |
14710 <section name="lowess"> | |
14711 <param name="span" value="0.666666666666667"/> | |
14712 <param name="num_iterations" value="3"/> | |
14713 <param name="delta" value="-1.0"/> | |
14714 <param name="interpolation_type" value="cspline"/> | |
14715 <param name="extrapolation_type" value="four-point-linear"/> | |
14716 </section> | |
14717 <section name="interpolated"> | |
14718 <param name="interpolation_type" value="cspline"/> | |
14719 <param name="extrapolation_type" value="two-point-linear"/> | |
14720 </section> | |
14721 </section> | |
14722 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
14723 <output name="ctd_out" ftype="xml"> | |
14724 <assert_contents> | |
14725 <is_valid_xml/> | |
14726 </assert_contents> | |
14727 </output> | |
14728 </test> | |
14729 <test expect_num_outputs="2"> | |
14730 <conditional name="adv_opts_cond"> | |
14731 <param name="adv_opts_selector" value="advanced"/> | |
14732 <param name="force" value="false"/> | |
14733 <param name="test" value="true"/> | |
14734 </conditional> | |
14735 <param name="in" value="MapAlignerIdentification_1_input1.featureXML,MapAlignerIdentification_1_input2.featureXML"/> | |
14736 <output_collection name="out" count="2"/> | |
14737 <section name="reference"> | |
14738 <param name="index" value="2"/> | |
14739 </section> | |
14740 <section name="algorithm"> | |
14741 <param name="score_cutoff" value="false"/> | |
14742 <param name="min_score" value="0.05"/> | |
14743 <param name="min_run_occur" value="2"/> | |
14744 <param name="max_rt_shift" value="0.0"/> | |
14745 <param name="use_unassigned_peptides" value="true"/> | |
14746 <param name="use_feature_rt" value="false"/> | |
14747 </section> | |
14748 <section name="model"> | |
14749 <param name="type" value="b_spline"/> | |
14750 <section name="linear"> | |
14751 <param name="symmetric_regression" value="false"/> | |
14752 <param name="x_weight" value=""/> | |
14753 <param name="y_weight" value=""/> | |
14754 <param name="x_datum_min" value="1e-15"/> | |
14755 <param name="x_datum_max" value="1000000000000000.0"/> | |
14756 <param name="y_datum_min" value="1e-15"/> | |
14757 <param name="y_datum_max" value="1000000000000000.0"/> | |
14758 </section> | |
14759 <section name="b_spline"> | |
14760 <param name="wavelength" value="0.0"/> | |
14761 <param name="num_nodes" value="5"/> | |
14762 <param name="extrapolate" value="linear"/> | |
14763 <param name="boundary_condition" value="2"/> | |
14764 </section> | |
14765 <section name="lowess"> | |
14766 <param name="span" value="0.666666666666667"/> | |
14767 <param name="num_iterations" value="3"/> | |
14768 <param name="delta" value="-1.0"/> | |
14769 <param name="interpolation_type" value="cspline"/> | |
14770 <param name="extrapolation_type" value="four-point-linear"/> | |
14771 </section> | |
14772 <section name="interpolated"> | |
14773 <param name="interpolation_type" value="cspline"/> | |
14774 <param name="extrapolation_type" value="two-point-linear"/> | |
14775 </section> | |
14776 </section> | |
14777 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
14778 <output name="ctd_out" ftype="xml"> | |
14779 <assert_contents> | |
14780 <is_valid_xml/> | |
14781 </assert_contents> | |
14782 </output> | |
14783 </test> | |
14784 <test expect_num_outputs="2"> | |
14785 <conditional name="adv_opts_cond"> | |
14786 <param name="adv_opts_selector" value="advanced"/> | |
14787 <param name="force" value="false"/> | |
14788 <param name="test" value="true"/> | |
14789 </conditional> | |
14790 <param name="in" value="MapAlignerIdentification_5_input1.consensusXML,MapAlignerIdentification_5_input2.consensusXML"/> | |
14791 <output_collection name="out" count="2"/> | |
14792 <section name="reference"> | |
14793 <param name="index" value="0"/> | |
14794 </section> | |
14795 <section name="algorithm"> | |
14796 <param name="score_cutoff" value="false"/> | |
14797 <param name="min_score" value="0.05"/> | |
14798 <param name="min_run_occur" value="2"/> | |
14799 <param name="max_rt_shift" value="0.0"/> | |
14800 <param name="use_unassigned_peptides" value="true"/> | |
14801 <param name="use_feature_rt" value="false"/> | |
14802 </section> | |
14803 <section name="model"> | |
14804 <param name="type" value="b_spline"/> | |
14805 <section name="linear"> | |
14806 <param name="symmetric_regression" value="false"/> | |
14807 <param name="x_weight" value=""/> | |
14808 <param name="y_weight" value=""/> | |
14809 <param name="x_datum_min" value="1e-15"/> | |
14810 <param name="x_datum_max" value="1000000000000000.0"/> | |
14811 <param name="y_datum_min" value="1e-15"/> | |
14812 <param name="y_datum_max" value="1000000000000000.0"/> | |
14813 </section> | |
14814 <section name="b_spline"> | |
14815 <param name="wavelength" value="0.0"/> | |
14816 <param name="num_nodes" value="5"/> | |
14817 <param name="extrapolate" value="linear"/> | |
14818 <param name="boundary_condition" value="2"/> | |
14819 </section> | |
14820 <section name="lowess"> | |
14821 <param name="span" value="0.666666666666667"/> | |
14822 <param name="num_iterations" value="3"/> | |
14823 <param name="delta" value="-1.0"/> | |
14824 <param name="interpolation_type" value="cspline"/> | |
14825 <param name="extrapolation_type" value="four-point-linear"/> | |
14826 </section> | |
14827 <section name="interpolated"> | |
14828 <param name="interpolation_type" value="cspline"/> | |
14829 <param name="extrapolation_type" value="two-point-linear"/> | |
14830 </section> | |
14831 </section> | |
14832 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
14833 <output name="ctd_out" ftype="xml"> | |
14834 <assert_contents> | |
14835 <is_valid_xml/> | |
14836 </assert_contents> | |
14837 </output> | |
14838 </test> | |
14839 <test expect_num_outputs="2"> | |
14840 <conditional name="adv_opts_cond"> | |
14841 <param name="adv_opts_selector" value="advanced"/> | |
14842 <param name="force" value="false"/> | |
14843 <param name="test" value="true"/> | |
14844 </conditional> | |
14845 <param name="in" value="MapAlignerIdentification_1_input1.featureXML"/> | |
14846 <output_collection name="trafo_out" count="1"/> | |
14847 <section name="reference"> | |
14848 <param name="file" value="MapAlignerIdentification_1_input2.featureXML"/> | |
14849 <param name="index" value="0"/> | |
14850 </section> | |
14851 <section name="algorithm"> | |
14852 <param name="score_cutoff" value="false"/> | |
14853 <param name="min_score" value="0.05"/> | |
14854 <param name="min_run_occur" value="2"/> | |
14855 <param name="max_rt_shift" value="0.0"/> | |
14856 <param name="use_unassigned_peptides" value="true"/> | |
14857 <param name="use_feature_rt" value="false"/> | |
14858 </section> | |
14859 <section name="model"> | |
14860 <param name="type" value="b_spline"/> | |
14861 <section name="linear"> | |
14862 <param name="symmetric_regression" value="false"/> | |
14863 <param name="x_weight" value=""/> | |
14864 <param name="y_weight" value=""/> | |
14865 <param name="x_datum_min" value="1e-15"/> | |
14866 <param name="x_datum_max" value="1000000000000000.0"/> | |
14867 <param name="y_datum_min" value="1e-15"/> | |
14868 <param name="y_datum_max" value="1000000000000000.0"/> | |
14869 </section> | |
14870 <section name="b_spline"> | |
14871 <param name="wavelength" value="0.0"/> | |
14872 <param name="num_nodes" value="5"/> | |
14873 <param name="extrapolate" value="linear"/> | |
14874 <param name="boundary_condition" value="2"/> | |
14875 </section> | |
14876 <section name="lowess"> | |
14877 <param name="span" value="0.666666666666667"/> | |
14878 <param name="num_iterations" value="3"/> | |
14879 <param name="delta" value="-1.0"/> | |
14880 <param name="interpolation_type" value="cspline"/> | |
14881 <param name="extrapolation_type" value="four-point-linear"/> | |
14882 </section> | |
14883 <section name="interpolated"> | |
14884 <param name="interpolation_type" value="cspline"/> | |
14885 <param name="extrapolation_type" value="two-point-linear"/> | |
14886 </section> | |
14887 </section> | |
14888 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
14889 <output name="ctd_out" ftype="xml"> | |
14890 <assert_contents> | |
14891 <is_valid_xml/> | |
14892 </assert_contents> | |
14893 </output> | |
14894 </test> | |
14895 </xml> | |
14896 <xml name="autotest_MapAlignerPoseClustering"> | |
14897 <test expect_num_outputs="3"> | |
14898 <conditional name="adv_opts_cond"> | |
14899 <param name="adv_opts_selector" value="advanced"/> | |
14900 <param name="force" value="false"/> | |
14901 <param name="test" value="true"/> | |
14902 </conditional> | |
14903 <param name="in" value="MapAlignerPoseClustering_1_input1.featureXML,MapAlignerPoseClustering_1_input2.featureXML,MapAlignerPoseClustering_1_input3.featureXML"/> | |
14904 <output_collection name="out" count="3"/> | |
14905 <output_collection name="trafo_out" count="3"/> | |
14906 <section name="reference"> | |
14907 <param name="index" value="0"/> | |
14908 </section> | |
14909 <section name="algorithm"> | |
14910 <param name="max_num_peaks_considered" value="400"/> | |
14911 <section name="superimposer"> | |
14912 <param name="mz_pair_max_distance" value="0.5"/> | |
14913 <param name="rt_pair_distance_fraction" value="0.1"/> | |
14914 <param name="num_used_points" value="2000"/> | |
14915 <param name="scaling_bucket_size" value="0.005"/> | |
14916 <param name="shift_bucket_size" value="3.0"/> | |
14917 <param name="max_shift" value="1000.0"/> | |
14918 <param name="max_scaling" value="2.0"/> | |
14919 <param name="dump_buckets" value=""/> | |
14920 <param name="dump_pairs" value=""/> | |
14921 </section> | |
14922 <section name="pairfinder"> | |
14923 <param name="second_nearest_gap" value="2.0"/> | |
14924 <param name="use_identifications" value="false"/> | |
14925 <param name="ignore_charge" value="true"/> | |
14926 <param name="ignore_adduct" value="true"/> | |
14927 <section name="distance_RT"> | |
14928 <param name="max_difference" value="30.0"/> | |
14929 <param name="exponent" value="1.0"/> | |
14930 <param name="weight" value="1.0"/> | |
14931 </section> | |
14932 <section name="distance_MZ"> | |
14933 <param name="max_difference" value="0.3"/> | |
14934 <param name="unit" value="Da"/> | |
14935 <param name="exponent" value="2.0"/> | |
14936 <param name="weight" value="1.0"/> | |
14937 </section> | |
14938 <section name="distance_intensity"> | |
14939 <param name="exponent" value="1.0"/> | |
14940 <param name="weight" value="0.0"/> | |
14941 <param name="log_transform" value="disabled"/> | |
14942 </section> | |
14943 </section> | |
14944 </section> | |
14945 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,trafo_out_FLAG"/> | |
14946 <output name="ctd_out" ftype="xml"> | |
14947 <assert_contents> | |
14948 <is_valid_xml/> | |
14949 </assert_contents> | |
14950 </output> | |
14951 </test> | |
14952 <test expect_num_outputs="2"> | |
14953 <conditional name="adv_opts_cond"> | |
14954 <param name="adv_opts_selector" value="advanced"/> | |
14955 <param name="force" value="false"/> | |
14956 <param name="test" value="true"/> | |
14957 </conditional> | |
14958 <param name="in" value="MapAlignerPoseClustering_2_input1.mzML,MapAlignerPoseClustering_2_input2.mzML,MapAlignerPoseClustering_2_input3.mzML"/> | |
14959 <output_collection name="out" count="3"/> | |
14960 <section name="reference"> | |
14961 <param name="index" value="0"/> | |
14962 </section> | |
14963 <section name="algorithm"> | |
14964 <param name="max_num_peaks_considered" value="400"/> | |
14965 <section name="superimposer"> | |
14966 <param name="mz_pair_max_distance" value="0.5"/> | |
14967 <param name="rt_pair_distance_fraction" value="0.1"/> | |
14968 <param name="num_used_points" value="2000"/> | |
14969 <param name="scaling_bucket_size" value="0.005"/> | |
14970 <param name="shift_bucket_size" value="3.0"/> | |
14971 <param name="max_shift" value="1000.0"/> | |
14972 <param name="max_scaling" value="2.0"/> | |
14973 <param name="dump_buckets" value=""/> | |
14974 <param name="dump_pairs" value=""/> | |
14975 </section> | |
14976 <section name="pairfinder"> | |
14977 <param name="second_nearest_gap" value="2.0"/> | |
14978 <param name="use_identifications" value="false"/> | |
14979 <param name="ignore_charge" value="false"/> | |
14980 <param name="ignore_adduct" value="true"/> | |
14981 <section name="distance_RT"> | |
14982 <param name="max_difference" value="100.0"/> | |
14983 <param name="exponent" value="1.0"/> | |
14984 <param name="weight" value="1.0"/> | |
14985 </section> | |
14986 <section name="distance_MZ"> | |
14987 <param name="max_difference" value="0.3"/> | |
14988 <param name="unit" value="Da"/> | |
14989 <param name="exponent" value="2.0"/> | |
14990 <param name="weight" value="1.0"/> | |
14991 </section> | |
14992 <section name="distance_intensity"> | |
14993 <param name="exponent" value="1.0"/> | |
14994 <param name="weight" value="0.0"/> | |
14995 <param name="log_transform" value="disabled"/> | |
14996 </section> | |
14997 </section> | |
14998 </section> | |
14999 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15000 <output name="ctd_out" ftype="xml"> | |
15001 <assert_contents> | |
15002 <is_valid_xml/> | |
15003 </assert_contents> | |
15004 </output> | |
15005 </test> | |
15006 <test expect_num_outputs="2"> | |
15007 <conditional name="adv_opts_cond"> | |
15008 <param name="adv_opts_selector" value="advanced"/> | |
15009 <param name="force" value="false"/> | |
15010 <param name="test" value="true"/> | |
15011 </conditional> | |
15012 <param name="in" value="MapAlignerPoseClustering_1_input2.featureXML,MapAlignerPoseClustering_1_input3.featureXML"/> | |
15013 <output_collection name="out" count="2"/> | |
15014 <section name="reference"> | |
15015 <param name="file" value="MapAlignerPoseClustering_1_input1.featureXML"/> | |
15016 <param name="index" value="0"/> | |
15017 </section> | |
15018 <section name="algorithm"> | |
15019 <param name="max_num_peaks_considered" value="400"/> | |
15020 <section name="superimposer"> | |
15021 <param name="mz_pair_max_distance" value="0.5"/> | |
15022 <param name="rt_pair_distance_fraction" value="0.1"/> | |
15023 <param name="num_used_points" value="2000"/> | |
15024 <param name="scaling_bucket_size" value="0.005"/> | |
15025 <param name="shift_bucket_size" value="3.0"/> | |
15026 <param name="max_shift" value="1000.0"/> | |
15027 <param name="max_scaling" value="2.0"/> | |
15028 <param name="dump_buckets" value=""/> | |
15029 <param name="dump_pairs" value=""/> | |
15030 </section> | |
15031 <section name="pairfinder"> | |
15032 <param name="second_nearest_gap" value="2.0"/> | |
15033 <param name="use_identifications" value="false"/> | |
15034 <param name="ignore_charge" value="true"/> | |
15035 <param name="ignore_adduct" value="true"/> | |
15036 <section name="distance_RT"> | |
15037 <param name="max_difference" value="30.0"/> | |
15038 <param name="exponent" value="1.0"/> | |
15039 <param name="weight" value="1.0"/> | |
15040 </section> | |
15041 <section name="distance_MZ"> | |
15042 <param name="max_difference" value="0.3"/> | |
15043 <param name="unit" value="Da"/> | |
15044 <param name="exponent" value="2.0"/> | |
15045 <param name="weight" value="1.0"/> | |
15046 </section> | |
15047 <section name="distance_intensity"> | |
15048 <param name="exponent" value="1.0"/> | |
15049 <param name="weight" value="0.0"/> | |
15050 <param name="log_transform" value="disabled"/> | |
15051 </section> | |
15052 </section> | |
15053 </section> | |
15054 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15055 <output name="ctd_out" ftype="xml"> | |
15056 <assert_contents> | |
15057 <is_valid_xml/> | |
15058 </assert_contents> | |
15059 </output> | |
15060 </test> | |
15061 <test expect_num_outputs="2"> | |
15062 <conditional name="adv_opts_cond"> | |
15063 <param name="adv_opts_selector" value="advanced"/> | |
15064 <param name="force" value="false"/> | |
15065 <param name="test" value="true"/> | |
15066 </conditional> | |
15067 <param name="in" value="MapAlignerPoseClustering_1_input1.featureXML,MapAlignerPoseClustering_1_input2.featureXML"/> | |
15068 <output_collection name="trafo_out" count="2"/> | |
15069 <section name="reference"> | |
15070 <param name="index" value="2"/> | |
15071 </section> | |
15072 <section name="algorithm"> | |
15073 <param name="max_num_peaks_considered" value="400"/> | |
15074 <section name="superimposer"> | |
15075 <param name="mz_pair_max_distance" value="0.5"/> | |
15076 <param name="rt_pair_distance_fraction" value="0.1"/> | |
15077 <param name="num_used_points" value="2000"/> | |
15078 <param name="scaling_bucket_size" value="0.005"/> | |
15079 <param name="shift_bucket_size" value="3.0"/> | |
15080 <param name="max_shift" value="1000.0"/> | |
15081 <param name="max_scaling" value="2.0"/> | |
15082 <param name="dump_buckets" value=""/> | |
15083 <param name="dump_pairs" value=""/> | |
15084 </section> | |
15085 <section name="pairfinder"> | |
15086 <param name="second_nearest_gap" value="2.0"/> | |
15087 <param name="use_identifications" value="false"/> | |
15088 <param name="ignore_charge" value="true"/> | |
15089 <param name="ignore_adduct" value="true"/> | |
15090 <section name="distance_RT"> | |
15091 <param name="max_difference" value="30.0"/> | |
15092 <param name="exponent" value="1.0"/> | |
15093 <param name="weight" value="1.0"/> | |
15094 </section> | |
15095 <section name="distance_MZ"> | |
15096 <param name="max_difference" value="0.3"/> | |
15097 <param name="unit" value="Da"/> | |
15098 <param name="exponent" value="2.0"/> | |
15099 <param name="weight" value="1.0"/> | |
15100 </section> | |
15101 <section name="distance_intensity"> | |
15102 <param name="exponent" value="1.0"/> | |
15103 <param name="weight" value="0.0"/> | |
15104 <param name="log_transform" value="disabled"/> | |
15105 </section> | |
15106 </section> | |
15107 </section> | |
15108 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
15109 <output name="ctd_out" ftype="xml"> | |
15110 <assert_contents> | |
15111 <is_valid_xml/> | |
15112 </assert_contents> | |
15113 </output> | |
15114 </test> | |
15115 </xml> | |
15116 <xml name="autotest_MapAlignerSpectrum"> | |
15117 <test expect_num_outputs="2"> | |
15118 <conditional name="adv_opts_cond"> | |
15119 <param name="adv_opts_selector" value="advanced"/> | |
15120 <param name="force" value="false"/> | |
15121 <param name="test" value="true"/> | |
15122 </conditional> | |
15123 <param name="in" value="MapAlignerSpectrum_1_input1.mzML,MapAlignerSpectrum_1_input2.mzML,MapAlignerSpectrum_1_input3.mzML"/> | |
15124 <output_collection name="out" count="3"/> | |
15125 <section name="algorithm"> | |
15126 <param name="gapcost" value="1.0"/> | |
15127 <param name="affinegapcost" value="0.5"/> | |
15128 <param name="cutoff_score" value="0.7"/> | |
15129 <param name="bucketsize" value="100"/> | |
15130 <param name="anchorpoints" value="100"/> | |
15131 <param name="mismatchscore" value="-5.0"/> | |
15132 <param name="scorefunction" value="SteinScottImproveScore"/> | |
15133 </section> | |
15134 <section name="model"> | |
15135 <param name="type" value="interpolated"/> | |
15136 <section name="linear"> | |
15137 <param name="symmetric_regression" value="false"/> | |
15138 <param name="x_weight" value=""/> | |
15139 <param name="y_weight" value=""/> | |
15140 <param name="x_datum_min" value="1e-15"/> | |
15141 <param name="x_datum_max" value="1000000000000000.0"/> | |
15142 <param name="y_datum_min" value="1e-15"/> | |
15143 <param name="y_datum_max" value="1000000000000000.0"/> | |
15144 </section> | |
15145 <section name="b_spline"> | |
15146 <param name="wavelength" value="0.0"/> | |
15147 <param name="num_nodes" value="5"/> | |
15148 <param name="extrapolate" value="linear"/> | |
15149 <param name="boundary_condition" value="2"/> | |
15150 </section> | |
15151 <section name="lowess"> | |
15152 <param name="span" value="0.666666666666667"/> | |
15153 <param name="num_iterations" value="3"/> | |
15154 <param name="delta" value="-1.0"/> | |
15155 <param name="interpolation_type" value="cspline"/> | |
15156 <param name="extrapolation_type" value="four-point-linear"/> | |
15157 </section> | |
15158 <section name="interpolated"> | |
15159 <param name="interpolation_type" value="cspline"/> | |
15160 <param name="extrapolation_type" value="two-point-linear"/> | |
15161 </section> | |
15162 </section> | |
15163 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15164 <output name="ctd_out" ftype="xml"> | |
15165 <assert_contents> | |
15166 <is_valid_xml/> | |
15167 </assert_contents> | |
15168 </output> | |
15169 </test> | |
15170 </xml> | |
15171 <xml name="autotest_MapAlignerTreeGuided"> | |
15172 <test expect_num_outputs="2"> | |
15173 <conditional name="adv_opts_cond"> | |
15174 <param name="adv_opts_selector" value="advanced"/> | |
15175 <param name="force" value="false"/> | |
15176 <param name="test" value="true"/> | |
15177 </conditional> | |
15178 <param name="in" value="MapAlignerTreeGuided_1_input1.featureXML,MapAlignerTreeGuided_1_input2.featureXML,MapAlignerTreeGuided_1_input3.featureXML"/> | |
15179 <output_collection name="out" count="3"/> | |
15180 <section name="algorithm"> | |
15181 <param name="model_type" value="b_spline"/> | |
15182 <section name="model"> | |
15183 <param name="type" value="b_spline"/> | |
15184 <section name="linear"> | |
15185 <param name="symmetric_regression" value="false"/> | |
15186 <param name="x_weight" value=""/> | |
15187 <param name="y_weight" value=""/> | |
15188 <param name="x_datum_min" value="1e-15"/> | |
15189 <param name="x_datum_max" value="1000000000000000.0"/> | |
15190 <param name="y_datum_min" value="1e-15"/> | |
15191 <param name="y_datum_max" value="1000000000000000.0"/> | |
15192 </section> | |
15193 <section name="b_spline"> | |
15194 <param name="wavelength" value="0.0"/> | |
15195 <param name="num_nodes" value="5"/> | |
15196 <param name="extrapolate" value="linear"/> | |
15197 <param name="boundary_condition" value="2"/> | |
15198 </section> | |
15199 <section name="lowess"> | |
15200 <param name="span" value="0.666666666666667"/> | |
15201 <param name="num_iterations" value="3"/> | |
15202 <param name="delta" value="-1.0"/> | |
15203 <param name="interpolation_type" value="cspline"/> | |
15204 <param name="extrapolation_type" value="four-point-linear"/> | |
15205 </section> | |
15206 <section name="interpolated"> | |
15207 <param name="interpolation_type" value="cspline"/> | |
15208 <param name="extrapolation_type" value="two-point-linear"/> | |
15209 </section> | |
15210 </section> | |
15211 <section name="align_algorithm"> | |
15212 <param name="score_cutoff" value="false"/> | |
15213 <param name="min_score" value="0.05"/> | |
15214 <param name="min_run_occur" value="2"/> | |
15215 <param name="max_rt_shift" value="0.5"/> | |
15216 <param name="use_unassigned_peptides" value="true"/> | |
15217 <param name="use_feature_rt" value="true"/> | |
15218 </section> | |
15219 </section> | |
15220 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15221 <output name="ctd_out" ftype="xml"> | |
15222 <assert_contents> | |
15223 <is_valid_xml/> | |
15224 </assert_contents> | |
15225 </output> | |
15226 </test> | |
15227 <test expect_num_outputs="2"> | |
15228 <conditional name="adv_opts_cond"> | |
15229 <param name="adv_opts_selector" value="advanced"/> | |
15230 <param name="force" value="false"/> | |
15231 <param name="test" value="true"/> | |
15232 </conditional> | |
15233 <param name="in" value="MapAlignerTreeGuided_1_input1.featureXML,MapAlignerTreeGuided_1_input2.featureXML,MapAlignerTreeGuided_1_input3.featureXML"/> | |
15234 <output_collection name="trafo_out" count="3"/> | |
15235 <section name="algorithm"> | |
15236 <param name="model_type" value="b_spline"/> | |
15237 <section name="model"> | |
15238 <param name="type" value="b_spline"/> | |
15239 <section name="linear"> | |
15240 <param name="symmetric_regression" value="false"/> | |
15241 <param name="x_weight" value=""/> | |
15242 <param name="y_weight" value=""/> | |
15243 <param name="x_datum_min" value="1e-15"/> | |
15244 <param name="x_datum_max" value="1000000000000000.0"/> | |
15245 <param name="y_datum_min" value="1e-15"/> | |
15246 <param name="y_datum_max" value="1000000000000000.0"/> | |
15247 </section> | |
15248 <section name="b_spline"> | |
15249 <param name="wavelength" value="0.0"/> | |
15250 <param name="num_nodes" value="5"/> | |
15251 <param name="extrapolate" value="linear"/> | |
15252 <param name="boundary_condition" value="2"/> | |
15253 </section> | |
15254 <section name="lowess"> | |
15255 <param name="span" value="0.666666666666667"/> | |
15256 <param name="num_iterations" value="3"/> | |
15257 <param name="delta" value="-1.0"/> | |
15258 <param name="interpolation_type" value="cspline"/> | |
15259 <param name="extrapolation_type" value="four-point-linear"/> | |
15260 </section> | |
15261 <section name="interpolated"> | |
15262 <param name="interpolation_type" value="cspline"/> | |
15263 <param name="extrapolation_type" value="two-point-linear"/> | |
15264 </section> | |
15265 </section> | |
15266 <section name="align_algorithm"> | |
15267 <param name="score_cutoff" value="false"/> | |
15268 <param name="min_score" value="0.05"/> | |
15269 <param name="min_run_occur" value="2"/> | |
15270 <param name="max_rt_shift" value="0.5"/> | |
15271 <param name="use_unassigned_peptides" value="true"/> | |
15272 <param name="use_feature_rt" value="true"/> | |
15273 </section> | |
15274 </section> | |
15275 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
15276 <output name="ctd_out" ftype="xml"> | |
15277 <assert_contents> | |
15278 <is_valid_xml/> | |
15279 </assert_contents> | |
15280 </output> | |
15281 </test> | |
15282 </xml> | |
15283 <xml name="autotest_MapNormalizer"> | |
15284 <test expect_num_outputs="2"> | |
15285 <conditional name="adv_opts_cond"> | |
15286 <param name="adv_opts_selector" value="advanced"/> | |
15287 <param name="force" value="false"/> | |
15288 <param name="test" value="true"/> | |
15289 </conditional> | |
15290 <param name="in" value="MapNormalizer_input.mzML"/> | |
15291 <output name="out" file="MapNormalizer.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
15292 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15293 <output name="ctd_out" ftype="xml"> | |
15294 <assert_contents> | |
15295 <is_valid_xml/> | |
15296 </assert_contents> | |
15297 </output> | |
15298 </test> | |
15299 </xml> | |
15300 <xml name="autotest_MapRTTransformer"> | |
15301 <test expect_num_outputs="2"> | |
15302 <conditional name="adv_opts_cond"> | |
15303 <param name="adv_opts_selector" value="advanced"/> | |
15304 <param name="force" value="false"/> | |
15305 <param name="test" value="true"/> | |
15306 </conditional> | |
15307 <param name="in" value="MapRTTransformer_1_input.featureXML"/> | |
15308 <output name="out" file="MapRTTransformer_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
15309 <param name="trafo_in" value="MapRTTransformer_trafo_linear.trafoXML"/> | |
15310 <param name="invert" value="false"/> | |
15311 <param name="store_original_rt" value="false"/> | |
15312 <section name="model"> | |
15313 <param name="type" value="none"/> | |
15314 <section name="linear"> | |
15315 <param name="symmetric_regression" value="false"/> | |
15316 <param name="x_weight" value=""/> | |
15317 <param name="y_weight" value=""/> | |
15318 <param name="x_datum_min" value="1e-15"/> | |
15319 <param name="x_datum_max" value="1000000000000000.0"/> | |
15320 <param name="y_datum_min" value="1e-15"/> | |
15321 <param name="y_datum_max" value="1000000000000000.0"/> | |
15322 </section> | |
15323 <section name="b_spline"> | |
15324 <param name="wavelength" value="0.0"/> | |
15325 <param name="num_nodes" value="5"/> | |
15326 <param name="extrapolate" value="linear"/> | |
15327 <param name="boundary_condition" value="2"/> | |
15328 </section> | |
15329 <section name="lowess"> | |
15330 <param name="span" value="0.666666666666667"/> | |
15331 <param name="num_iterations" value="3"/> | |
15332 <param name="delta" value="-1.0"/> | |
15333 <param name="interpolation_type" value="cspline"/> | |
15334 <param name="extrapolation_type" value="four-point-linear"/> | |
15335 </section> | |
15336 <section name="interpolated"> | |
15337 <param name="interpolation_type" value="cspline"/> | |
15338 <param name="extrapolation_type" value="two-point-linear"/> | |
15339 </section> | |
15340 </section> | |
15341 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15342 <output name="ctd_out" ftype="xml"> | |
15343 <assert_contents> | |
15344 <is_valid_xml/> | |
15345 </assert_contents> | |
15346 </output> | |
15347 </test> | |
15348 <test expect_num_outputs="2"> | |
15349 <conditional name="adv_opts_cond"> | |
15350 <param name="adv_opts_selector" value="advanced"/> | |
15351 <param name="force" value="false"/> | |
15352 <param name="test" value="true"/> | |
15353 </conditional> | |
15354 <param name="in" value="MapRTTransformer_2_input.mzML"/> | |
15355 <output name="out" file="MapRTTransformer_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
15356 <param name="trafo_in" value="MapRTTransformer_trafo_linear.trafoXML"/> | |
15357 <param name="invert" value="false"/> | |
15358 <param name="store_original_rt" value="false"/> | |
15359 <section name="model"> | |
15360 <param name="type" value="none"/> | |
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="trafo_in" value="MapAlignerPoseClustering_1_trafo2.trafoXML"/> | |
15402 <output name="trafo_out" file="MapRTTransformer_3_trafo.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
15403 <param name="invert" value="true"/> | |
15404 <param name="store_original_rt" value="false"/> | |
15405 <section name="model"> | |
15406 <param name="type" value="none"/> | |
15407 <section name="linear"> | |
15408 <param name="symmetric_regression" value="false"/> | |
15409 <param name="x_weight" value=""/> | |
15410 <param name="y_weight" value=""/> | |
15411 <param name="x_datum_min" value="1e-15"/> | |
15412 <param name="x_datum_max" value="1000000000000000.0"/> | |
15413 <param name="y_datum_min" value="1e-15"/> | |
15414 <param name="y_datum_max" value="1000000000000000.0"/> | |
15415 </section> | |
15416 <section name="b_spline"> | |
15417 <param name="wavelength" value="0.0"/> | |
15418 <param name="num_nodes" value="5"/> | |
15419 <param name="extrapolate" value="linear"/> | |
15420 <param name="boundary_condition" value="2"/> | |
15421 </section> | |
15422 <section name="lowess"> | |
15423 <param name="span" value="0.666666666666667"/> | |
15424 <param name="num_iterations" value="3"/> | |
15425 <param name="delta" value="-1.0"/> | |
15426 <param name="interpolation_type" value="cspline"/> | |
15427 <param name="extrapolation_type" value="four-point-linear"/> | |
15428 </section> | |
15429 <section name="interpolated"> | |
15430 <param name="interpolation_type" value="cspline"/> | |
15431 <param name="extrapolation_type" value="two-point-linear"/> | |
15432 </section> | |
15433 </section> | |
15434 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/> | |
15435 <output name="ctd_out" ftype="xml"> | |
15436 <assert_contents> | |
15437 <is_valid_xml/> | |
15438 </assert_contents> | |
15439 </output> | |
15440 </test> | |
15441 <test expect_num_outputs="2"> | |
15442 <conditional name="adv_opts_cond"> | |
15443 <param name="adv_opts_selector" value="advanced"/> | |
15444 <param name="force" value="false"/> | |
15445 <param name="test" value="true"/> | |
15446 </conditional> | |
15447 <param name="in" value="MapRTTransformer_4_input.chrom.mzML"/> | |
15448 <output name="out" file="MapRTTransformer_4_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
15449 <param name="trafo_in" value="MapRTTransformer_trafo_linear.trafoXML"/> | |
15450 <param name="invert" value="false"/> | |
15451 <param name="store_original_rt" value="false"/> | |
15452 <section name="model"> | |
15453 <param name="type" value="none"/> | |
15454 <section name="linear"> | |
15455 <param name="symmetric_regression" value="false"/> | |
15456 <param name="x_weight" value=""/> | |
15457 <param name="y_weight" value=""/> | |
15458 <param name="x_datum_min" value="1e-15"/> | |
15459 <param name="x_datum_max" value="1000000000000000.0"/> | |
15460 <param name="y_datum_min" value="1e-15"/> | |
15461 <param name="y_datum_max" value="1000000000000000.0"/> | |
15462 </section> | |
15463 <section name="b_spline"> | |
15464 <param name="wavelength" value="0.0"/> | |
15465 <param name="num_nodes" value="5"/> | |
15466 <param name="extrapolate" value="linear"/> | |
15467 <param name="boundary_condition" value="2"/> | |
15468 </section> | |
15469 <section name="lowess"> | |
15470 <param name="span" value="0.666666666666667"/> | |
15471 <param name="num_iterations" value="3"/> | |
15472 <param name="delta" value="-1.0"/> | |
15473 <param name="interpolation_type" value="cspline"/> | |
15474 <param name="extrapolation_type" value="four-point-linear"/> | |
15475 </section> | |
15476 <section name="interpolated"> | |
15477 <param name="interpolation_type" value="cspline"/> | |
15478 <param name="extrapolation_type" value="two-point-linear"/> | |
15479 </section> | |
15480 </section> | |
15481 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15482 <output name="ctd_out" ftype="xml"> | |
15483 <assert_contents> | |
15484 <is_valid_xml/> | |
15485 </assert_contents> | |
15486 </output> | |
15487 </test> | |
15488 <test expect_num_outputs="2"> | |
15489 <conditional name="adv_opts_cond"> | |
15490 <param name="adv_opts_selector" value="advanced"/> | |
15491 <param name="force" value="false"/> | |
15492 <param name="test" value="true"/> | |
15493 </conditional> | |
15494 <param name="in" value="MapRTTransformer_1_input.featureXML"/> | |
15495 <output name="out" file="MapRTTransformer_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
15496 <param name="trafo_in" value="MapRTTransformer_trafo_none.trafoXML"/> | |
15497 <param name="invert" value="false"/> | |
15498 <param name="store_original_rt" value="false"/> | |
15499 <section name="model"> | |
15500 <param name="type" value="none"/> | |
15501 <section name="linear"> | |
15502 <param name="symmetric_regression" value="false"/> | |
15503 <param name="x_weight" value=""/> | |
15504 <param name="y_weight" value=""/> | |
15505 <param name="x_datum_min" value="1e-15"/> | |
15506 <param name="x_datum_max" value="1000000000000000.0"/> | |
15507 <param name="y_datum_min" value="1e-15"/> | |
15508 <param name="y_datum_max" value="1000000000000000.0"/> | |
15509 </section> | |
15510 <section name="b_spline"> | |
15511 <param name="wavelength" value="0.0"/> | |
15512 <param name="num_nodes" value="5"/> | |
15513 <param name="extrapolate" value="linear"/> | |
15514 <param name="boundary_condition" value="2"/> | |
15515 </section> | |
15516 <section name="lowess"> | |
15517 <param name="span" value="0.666666666666667"/> | |
15518 <param name="num_iterations" value="3"/> | |
15519 <param name="delta" value="-1.0"/> | |
15520 <param name="interpolation_type" value="cspline"/> | |
15521 <param name="extrapolation_type" value="four-point-linear"/> | |
15522 </section> | |
15523 <section name="interpolated"> | |
15524 <param name="interpolation_type" value="cspline"/> | |
15525 <param name="extrapolation_type" value="two-point-linear"/> | |
15526 </section> | |
15527 </section> | |
15528 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15529 <output name="ctd_out" ftype="xml"> | |
15530 <assert_contents> | |
15531 <is_valid_xml/> | |
15532 </assert_contents> | |
15533 </output> | |
15534 </test> | |
15535 <test expect_num_outputs="2"> | |
15536 <conditional name="adv_opts_cond"> | |
15537 <param name="adv_opts_selector" value="advanced"/> | |
15538 <param name="force" value="false"/> | |
15539 <param name="test" value="true"/> | |
15540 </conditional> | |
15541 <param name="in" value="MapRTTransformer_1_input.featureXML"/> | |
15542 <output name="out" file="MapRTTransformer_6_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
15543 <param name="trafo_in" value="MapRTTransformer_trafo_linear.trafoXML"/> | |
15544 <param name="invert" value="false"/> | |
15545 <param name="store_original_rt" value="true"/> | |
15546 <section name="model"> | |
15547 <param name="type" value="none"/> | |
15548 <section name="linear"> | |
15549 <param name="symmetric_regression" value="false"/> | |
15550 <param name="x_weight" value=""/> | |
15551 <param name="y_weight" value=""/> | |
15552 <param name="x_datum_min" value="1e-15"/> | |
15553 <param name="x_datum_max" value="1000000000000000.0"/> | |
15554 <param name="y_datum_min" value="1e-15"/> | |
15555 <param name="y_datum_max" value="1000000000000000.0"/> | |
15556 </section> | |
15557 <section name="b_spline"> | |
15558 <param name="wavelength" value="0.0"/> | |
15559 <param name="num_nodes" value="5"/> | |
15560 <param name="extrapolate" value="linear"/> | |
15561 <param name="boundary_condition" value="2"/> | |
15562 </section> | |
15563 <section name="lowess"> | |
15564 <param name="span" value="0.666666666666667"/> | |
15565 <param name="num_iterations" value="3"/> | |
15566 <param name="delta" value="-1.0"/> | |
15567 <param name="interpolation_type" value="cspline"/> | |
15568 <param name="extrapolation_type" value="four-point-linear"/> | |
15569 </section> | |
15570 <section name="interpolated"> | |
15571 <param name="interpolation_type" value="cspline"/> | |
15572 <param name="extrapolation_type" value="two-point-linear"/> | |
15573 </section> | |
15574 </section> | |
15575 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15576 <output name="ctd_out" ftype="xml"> | |
15577 <assert_contents> | |
15578 <is_valid_xml/> | |
15579 </assert_contents> | |
15580 </output> | |
15581 </test> | |
15582 </xml> | |
15583 <xml name="autotest_MapStatistics"> | |
15584 </xml> | |
15585 <xml name="autotest_MaRaClusterAdapter"/> | |
15586 <xml name="autotest_MascotAdapterOnline"> | |
15587 <test expect_num_outputs="2"> | |
15588 <conditional name="adv_opts_cond"> | |
15589 <param name="adv_opts_selector" value="advanced"/> | |
15590 <param name="keep_protein_links" value="true"/> | |
15591 <param name="force" value="false"/> | |
15592 <param name="test" value="true"/> | |
15593 </conditional> | |
15594 <param name="in" value="spectra_comet.mzML"/> | |
15595 <output name="out" file="MascotAdapterOnline_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
15596 <section name="Mascot_parameters"> | |
15597 <param name="database" value="SwissProt"/> | |
15598 <param name="search_type" value="MIS"/> | |
15599 <param name="enzyme" value="Trypsin"/> | |
15600 <param name="instrument" value="Default"/> | |
15601 <param name="missed_cleavages" value="1"/> | |
15602 <param name="precursor_mass_tolerance" value="3.0"/> | |
15603 <param name="precursor_error_units" value="Da"/> | |
15604 <param name="fragment_mass_tolerance" value="0.3"/> | |
15605 <param name="fragment_error_units" value="Da"/> | |
15606 <param name="charges" value="1,2,3"/> | |
15607 <param name="taxonomy" value="All entries"/> | |
15608 <param name="fixed_modifications" value=""/> | |
15609 <param name="variable_modifications" value=""/> | |
15610 <param name="special_modifications" value="Cation:Na (DE),Deamidated (NQ),Oxidation (HW),Phospho (ST),Sulfo (ST)"/> | |
15611 <param name="mass_type" value="monoisotopic"/> | |
15612 <param name="number_of_hits" value="0"/> | |
15613 <param name="skip_spectrum_charges" value="false"/> | |
15614 <param name="search_title" value="OpenMS_search"/> | |
15615 <param name="username" value="OpenMS"/> | |
15616 <param name="email" value="openmsjenkins@gmail.com"/> | |
15617 </section> | |
15618 <section name="Mascot_server"> | |
15619 <param name="hostname" value="www.matrixscience.com"/> | |
15620 <param name="host_port" value="80"/> | |
15621 <param name="server_path" value=""/> | |
15622 <param name="timeout" value="1500"/> | |
15623 <param name="boundary" value="GZWgAaYKjHFeUaLOLEIOMq"/> | |
15624 <param name="use_proxy" value="false"/> | |
15625 <param name="proxy_host" value=""/> | |
15626 <param name="proxy_port" value="0"/> | |
15627 <param name="proxy_username" value=""/> | |
15628 <param name="proxy_password" value=""/> | |
15629 <param name="login" value="false"/> | |
15630 <param name="username" value=""/> | |
15631 <param name="password" value=""/> | |
15632 <param name="use_ssl" value="false"/> | |
15633 <param name="export_params" value="_ignoreionsscorebelow=0&_sigthreshold=0.99&_showsubsets=1&show_same_sets=1&report=0&percolate=0&query_master=0"/> | |
15634 <param name="skip_export" value="false"/> | |
15635 </section> | |
15636 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15637 <output name="ctd_out" ftype="xml"> | |
15638 <assert_contents> | |
15639 <is_valid_xml/> | |
15640 </assert_contents> | |
15641 </output> | |
15642 </test> | |
15643 </xml> | |
15644 <xml name="autotest_MascotAdapter"> | |
15645 <test expect_num_outputs="2"> | |
15646 <conditional name="adv_opts_cond"> | |
15647 <param name="adv_opts_selector" value="advanced"/> | |
15648 <param name="force" value="false"/> | |
15649 <param name="test" value="true"/> | |
15650 </conditional> | |
15651 <param name="in" value="MascotAdapter_1_input.mzData"/> | |
15652 <output name="out" file="output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
15653 <param name="mascot_in" value="true"/> | |
15654 <param name="mascot_out" value="false"/> | |
15655 <param name="instrument" value="ESI-TRAP"/> | |
15656 <param name="precursor_mass_tolerance" value="1.3"/> | |
15657 <param name="peak_mass_tolerance" value="0.3"/> | |
15658 <param name="taxonomy" value=". . . . . . Chordata (vertebrates and relatives)"/> | |
15659 <param name="modifications" value=""Carboxymethyl (C)""/> | |
15660 <param name="variable_modifications" value=""Variable_Modifications_TEST_1""/> | |
15661 <param name="charges" value=""1+" "2+" "3+""/> | |
15662 <param name="db" value="MSDB"/> | |
15663 <param name="hits" value="AUTO"/> | |
15664 <param name="cleavage" value="Trypsin"/> | |
15665 <param name="missed_cleavages" value="1"/> | |
15666 <param name="sig_threshold" value="0.05"/> | |
15667 <param name="pep_homol" value="1.0"/> | |
15668 <param name="pep_ident" value="1.0"/> | |
15669 <param name="pep_rank" value="1"/> | |
15670 <param name="prot_score" value="1.0"/> | |
15671 <param name="pep_score" value="1.0"/> | |
15672 <param name="pep_exp_z" value="1"/> | |
15673 <param name="show_unassigned" value="1"/> | |
15674 <param name="first_dim_rt" value="0.0"/> | |
15675 <param name="boundary" value="ABCDEFGHIJKMNOPQRSTUVWXYZ"/> | |
15676 <param name="mass_type" value="Monoisotopic"/> | |
15677 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15678 <output name="ctd_out" ftype="xml"> | |
15679 <assert_contents> | |
15680 <is_valid_xml/> | |
15681 </assert_contents> | |
15682 </output> | |
15683 </test> | |
15684 <test expect_num_outputs="2"> | |
15685 <conditional name="adv_opts_cond"> | |
15686 <param name="adv_opts_selector" value="advanced"/> | |
15687 <param name="force" value="false"/> | |
15688 <param name="test" value="true"/> | |
15689 </conditional> | |
15690 <param name="in" value="MascotAdapter_2_input.mascotXML"/> | |
15691 <output name="out" file="MascotAdapter_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
15692 <param name="mascot_in" value="false"/> | |
15693 <param name="mascot_out" value="true"/> | |
15694 <param name="instrument" value="Default"/> | |
15695 <param name="precursor_mass_tolerance" value="2.0"/> | |
15696 <param name="peak_mass_tolerance" value="1.0"/> | |
15697 <param name="taxonomy" value="All entries"/> | |
15698 <param name="modifications" value=""/> | |
15699 <param name="variable_modifications" value=""/> | |
15700 <param name="charges" value=""1+" "2+" "3+""/> | |
15701 <param name="db" value="MSDB"/> | |
15702 <param name="hits" value="AUTO"/> | |
15703 <param name="cleavage" value="Trypsin"/> | |
15704 <param name="missed_cleavages" value="0"/> | |
15705 <param name="sig_threshold" value="0.05"/> | |
15706 <param name="pep_homol" value="1.0"/> | |
15707 <param name="pep_ident" value="1.0"/> | |
15708 <param name="pep_rank" value="1"/> | |
15709 <param name="prot_score" value="1.0"/> | |
15710 <param name="pep_score" value="1.0"/> | |
15711 <param name="pep_exp_z" value="1"/> | |
15712 <param name="show_unassigned" value="1"/> | |
15713 <param name="first_dim_rt" value="0.0"/> | |
15714 <param name="boundary" value=""/> | |
15715 <param name="mass_type" value="Monoisotopic"/> | |
15716 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15717 <output name="ctd_out" ftype="xml"> | |
15718 <assert_contents> | |
15719 <is_valid_xml/> | |
15720 </assert_contents> | |
15721 </output> | |
15722 </test> | |
15723 </xml> | |
15724 <xml name="autotest_MassCalculator"> | |
15725 <test expect_num_outputs="2"> | |
15726 <conditional name="adv_opts_cond"> | |
15727 <param name="adv_opts_selector" value="advanced"/> | |
15728 <param name="force" value="false"/> | |
15729 <param name="test" value="true"/> | |
15730 </conditional> | |
15731 <param name="in" value="MassCalculator_1_input.txt" ftype="txt"/> | |
15732 <param name="in_seq" value=""/> | |
15733 <output name="out" file="MassCalculator_1_output.csv" compare="sim_size" delta="5700" ftype="txt"/> | |
15734 <param name="charge" value="0 1"/> | |
15735 <param name="format" value="table"/> | |
15736 <param name="average_mass" value="false"/> | |
15737 <param name="fragment_type" value="full"/> | |
15738 <param name="separator" value=","/> | |
15739 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15740 <output name="ctd_out" ftype="xml"> | |
15741 <assert_contents> | |
15742 <is_valid_xml/> | |
15743 </assert_contents> | |
15744 </output> | |
15745 </test> | |
15746 <test expect_num_outputs="2"> | |
15747 <conditional name="adv_opts_cond"> | |
15748 <param name="adv_opts_selector" value="advanced"/> | |
15749 <param name="force" value="false"/> | |
15750 <param name="test" value="true"/> | |
15751 </conditional> | |
15752 <param name="in_seq" value=""LDQWLC(Carbamidomethyl)EKL" "(Glu->pyro-Glu)EAM(Oxidation)APKHK" "RANVM(Oxidation)DYR" "FGVEQDVDMVFASFIR""/> | |
15753 <output name="out" file="MassCalculator_2_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
15754 <param name="charge" value="1 2 3"/> | |
15755 <param name="format" value="list"/> | |
15756 <param name="average_mass" value="false"/> | |
15757 <param name="fragment_type" value="full"/> | |
15758 <param name="separator" value=""/> | |
15759 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
15760 <output name="ctd_out" ftype="xml"> | |
15761 <assert_contents> | |
15762 <is_valid_xml/> | |
15763 </assert_contents> | |
15764 </output> | |
15765 </test> | |
15766 </xml> | |
15767 <xml name="autotest_MassTraceExtractor"> | |
15768 <test expect_num_outputs="2"> | |
15769 <conditional name="adv_opts_cond"> | |
15770 <param name="adv_opts_selector" value="advanced"/> | |
15771 <param name="force" value="false"/> | |
15772 <param name="test" value="true"/> | |
15773 </conditional> | |
15774 <param name="in" value="MassTraceExtractor_1_input.mzML"/> | |
15775 <output name="out" file="MassTraceExtractor_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
15776 <param name="out_type" value="featurexml"/> | |
15777 <section name="algorithm"> | |
15778 <section name="common"> | |
15779 <param name="noise_threshold_int" value="10.0"/> | |
15780 <param name="chrom_peak_snr" value="3.0"/> | |
15781 <param name="chrom_fwhm" value="5.0"/> | |
15782 </section> | |
15783 <section name="mtd"> | |
15784 <param name="mass_error_ppm" value="20.0"/> | |
15785 <param name="reestimate_mt_sd" value="true"/> | |
15786 <param name="quant_method" value="area"/> | |
15787 <param name="trace_termination_criterion" value="outlier"/> | |
15788 <param name="trace_termination_outliers" value="5"/> | |
15789 <param name="min_sample_rate" value="0.5"/> | |
15790 <param name="min_trace_length" value="5.0"/> | |
15791 <param name="max_trace_length" value="-1.0"/> | |
15792 </section> | |
15793 <section name="epd"> | |
15794 <param name="width_filtering" value="off"/> | |
15795 <param name="min_fwhm" value="3.0"/> | |
15796 <param name="max_fwhm" value="60.0"/> | |
15797 <param name="masstrace_snr_filtering" value="false"/> | |
15798 <param name="enabled" value="true"/> | |
15799 </section> | |
15800 </section> | |
15801 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15802 <output name="ctd_out" ftype="xml"> | |
15803 <assert_contents> | |
15804 <is_valid_xml/> | |
15805 </assert_contents> | |
15806 </output> | |
15807 </test> | |
15808 <test expect_num_outputs="2"> | |
15809 <conditional name="adv_opts_cond"> | |
15810 <param name="adv_opts_selector" value="advanced"/> | |
15811 <param name="force" value="false"/> | |
15812 <param name="test" value="true"/> | |
15813 </conditional> | |
15814 <param name="in" value="MassTraceExtractor_1_input.mzML"/> | |
15815 <output name="out" file="MassTraceExtractor_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
15816 <param name="out_type" value="featurexml"/> | |
15817 <section name="algorithm"> | |
15818 <section name="common"> | |
15819 <param name="noise_threshold_int" value="10.0"/> | |
15820 <param name="chrom_peak_snr" value="3.0"/> | |
15821 <param name="chrom_fwhm" value="5.0"/> | |
15822 </section> | |
15823 <section name="mtd"> | |
15824 <param name="mass_error_ppm" value="20.0"/> | |
15825 <param name="reestimate_mt_sd" value="true"/> | |
15826 <param name="quant_method" value="area"/> | |
15827 <param name="trace_termination_criterion" value="outlier"/> | |
15828 <param name="trace_termination_outliers" value="5"/> | |
15829 <param name="min_sample_rate" value="0.5"/> | |
15830 <param name="min_trace_length" value="6.0"/> | |
15831 <param name="max_trace_length" value="12.0"/> | |
15832 </section> | |
15833 <section name="epd"> | |
15834 <param name="width_filtering" value="off"/> | |
15835 <param name="min_fwhm" value="3.0"/> | |
15836 <param name="max_fwhm" value="60.0"/> | |
15837 <param name="masstrace_snr_filtering" value="false"/> | |
15838 <param name="enabled" value="true"/> | |
15839 </section> | |
15840 </section> | |
15841 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15842 <output name="ctd_out" ftype="xml"> | |
15843 <assert_contents> | |
15844 <is_valid_xml/> | |
15845 </assert_contents> | |
15846 </output> | |
15847 </test> | |
15848 </xml> | |
15849 <xml name="autotest_MetaboliteAdductDecharger"> | |
15850 </xml> | |
15851 <xml name="autotest_MetaboliteSpectralMatcher"> | |
15852 </xml> | |
15853 <xml name="autotest_MetaProSIP"> | |
15854 <test expect_num_outputs="3"> | |
15855 <conditional name="adv_opts_cond"> | |
15856 <param name="adv_opts_selector" value="advanced"/> | |
15857 <param name="min_correlation_distance_to_averagine" value="-1.0"/> | |
15858 <param name="pattern_15N_TIC_threshold" value="0.95"/> | |
15859 <param name="pattern_13C_TIC_threshold" value="0.95"/> | |
15860 <param name="pattern_2H_TIC_threshold" value="0.95"/> | |
15861 <param name="pattern_18O_TIC_threshold" value="0.95"/> | |
15862 <param name="heatmap_bins" value="20"/> | |
15863 <param name="observed_peak_fraction" value="0.5"/> | |
15864 <param name="min_consecutive_isotopes" value="2"/> | |
15865 <param name="score_plot_yaxis_min" value="0.0"/> | |
15866 <param name="collect_method" value="correlation_maximum"/> | |
15867 <param name="lowRIA_correlation_threshold" value="-1.0"/> | |
15868 <param name="force" value="false"/> | |
15869 <param name="test" value="true"/> | |
15870 </conditional> | |
15871 <param name="in_mzML" value="MetaProSIP_1_input.mzML"/> | |
15872 <param name="in_fasta" value="MetaProSIP_1_input.fasta"/> | |
15873 <output name="out_csv" file="MetaProSIP_1_output_1.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
15874 <output name="out_peptide_centric_csv" file="MetaProSIP_1_output_2.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
15875 <param name="in_featureXML" value="MetaProSIP_1_input.featureXML"/> | |
15876 <param name="mz_tolerance_ppm" value="10.0"/> | |
15877 <param name="rt_tolerance_s" value="30.0"/> | |
15878 <param name="intensity_threshold" value="10.0"/> | |
15879 <param name="correlation_threshold" value="0.7"/> | |
15880 <param name="xic_threshold" value="0.7"/> | |
15881 <param name="decomposition_threshold" value="0.7"/> | |
15882 <param name="weight_merge_window" value="5.0"/> | |
15883 <param name="plot_extension" value="png"/> | |
15884 <param name="qc_output_directory" value=""/> | |
15885 <param name="labeling_element" value="C"/> | |
15886 <param name="use_unassigned_ids" value="false"/> | |
15887 <param name="use_averagine_ids" value="false"/> | |
15888 <param name="report_natural_peptides" value="false"/> | |
15889 <param name="filter_monoisotopic" value="false"/> | |
15890 <param name="cluster" value="false"/> | |
15891 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15892 <output name="ctd_out" ftype="xml"> | |
15893 <assert_contents> | |
15894 <is_valid_xml/> | |
15895 </assert_contents> | |
15896 </output> | |
15897 </test> | |
15898 </xml> | |
15899 <xml name="autotest_MRMMapper"> | |
15900 <test expect_num_outputs="2"> | |
15901 <conditional name="adv_opts_cond"> | |
15902 <param name="adv_opts_selector" value="advanced"/> | |
15903 <param name="force" value="false"/> | |
15904 <param name="test" value="true"/> | |
15905 </conditional> | |
15906 <param name="in" value="MRMMapping_input.chrom.mzML"/> | |
15907 <param name="tr" value="MRMMapping_input.TraML"/> | |
15908 <output name="out" file="MRMMapping_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
15909 <section name="algorithm"> | |
15910 <param name="precursor_tolerance" value="0.3"/> | |
15911 <param name="product_tolerance" value="0.3"/> | |
15912 <param name="map_multiple_assays" value="false"/> | |
15913 <param name="error_on_unmapped" value="false"/> | |
15914 </section> | |
15915 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15916 <output name="ctd_out" ftype="xml"> | |
15917 <assert_contents> | |
15918 <is_valid_xml/> | |
15919 </assert_contents> | |
15920 </output> | |
15921 </test> | |
15922 <test expect_num_outputs="2"> | |
15923 <conditional name="adv_opts_cond"> | |
15924 <param name="adv_opts_selector" value="advanced"/> | |
15925 <param name="force" value="false"/> | |
15926 <param name="test" value="true"/> | |
15927 </conditional> | |
15928 <param name="in" value="MRMMapping_input.chrom.mzML"/> | |
15929 <param name="tr" value="MRMMapping_input_2.TraML"/> | |
15930 <output name="out" file="MRMMapping_output_2.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
15931 <section name="algorithm"> | |
15932 <param name="precursor_tolerance" value="0.01"/> | |
15933 <param name="product_tolerance" value="0.01"/> | |
15934 <param name="map_multiple_assays" value="false"/> | |
15935 <param name="error_on_unmapped" value="false"/> | |
15936 </section> | |
15937 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15938 <output name="ctd_out" ftype="xml"> | |
15939 <assert_contents> | |
15940 <is_valid_xml/> | |
15941 </assert_contents> | |
15942 </output> | |
15943 </test> | |
15944 </xml> | |
15945 <xml name="autotest_MRMPairFinder"> | |
15946 </xml> | |
15947 <xml name="autotest_MRMTransitionGroupPicker"> | |
15948 <test expect_num_outputs="2"> | |
15949 <conditional name="adv_opts_cond"> | |
15950 <param name="adv_opts_selector" value="advanced"/> | |
15951 <param name="force" value="false"/> | |
15952 <param name="test" value="true"/> | |
15953 </conditional> | |
15954 <param name="in" value="MRMTransitionGroupPicker_1_input.mzML"/> | |
15955 <param name="tr" value="MRMTransitionGroupPicker_1_input.TraML"/> | |
15956 <output name="out" file="MRMTransitionGroupPicker_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
15957 <section name="algorithm"> | |
15958 <param name="stop_after_feature" value="-1"/> | |
15959 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
15960 <param name="min_peak_width" value="-1.0"/> | |
15961 <param name="peak_integration" value="original"/> | |
15962 <param name="background_subtraction" value="none"/> | |
15963 <param name="recalculate_peaks" value="false"/> | |
15964 <param name="use_precursors" value="false"/> | |
15965 <param name="use_consensus" value="true"/> | |
15966 <param name="recalculate_peaks_max_z" value="1.0"/> | |
15967 <param name="minimal_quality" value="-10000.0"/> | |
15968 <param name="resample_boundary" value="15.0"/> | |
15969 <param name="compute_peak_quality" value="false"/> | |
15970 <param name="compute_peak_shape_metrics" value="false"/> | |
15971 <param name="compute_total_mi" value="false"/> | |
15972 <param name="boundary_selection_method" value="largest"/> | |
15973 <section name="PeakPickerMRM"> | |
15974 <param name="sgolay_frame_length" value="15"/> | |
15975 <param name="sgolay_polynomial_order" value="3"/> | |
15976 <param name="gauss_width" value="50.0"/> | |
15977 <param name="use_gauss" value="true"/> | |
15978 <param name="peak_width" value="40.0"/> | |
15979 <param name="signal_to_noise" value="1.0"/> | |
15980 <param name="sn_win_len" value="1000.0"/> | |
15981 <param name="sn_bin_count" value="30"/> | |
15982 <param name="write_sn_log_messages" value="false"/> | |
15983 <param name="remove_overlapping_peaks" value="true"/> | |
15984 <param name="method" value="legacy"/> | |
15985 </section> | |
15986 <section name="PeakIntegrator"> | |
15987 <param name="integration_type" value="intensity_sum"/> | |
15988 <param name="baseline_type" value="base_to_base"/> | |
15989 <param name="fit_EMG" value="false"/> | |
15990 </section> | |
15991 </section> | |
15992 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
15993 <output name="ctd_out" ftype="xml"> | |
15994 <assert_contents> | |
15995 <is_valid_xml/> | |
15996 </assert_contents> | |
15997 </output> | |
15998 </test> | |
15999 <test expect_num_outputs="2"> | |
16000 <conditional name="adv_opts_cond"> | |
16001 <param name="adv_opts_selector" value="advanced"/> | |
16002 <param name="force" value="false"/> | |
16003 <param name="test" value="true"/> | |
16004 </conditional> | |
16005 <param name="in" value="MRMTransitionGroupPicker_1_input.mzML"/> | |
16006 <param name="tr" value="MRMTransitionGroupPicker_1_input.TraML"/> | |
16007 <output name="out" file="MRMTransitionGroupPicker_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
16008 <section name="algorithm"> | |
16009 <param name="stop_after_feature" value="-1"/> | |
16010 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
16011 <param name="min_peak_width" value="-1.0"/> | |
16012 <param name="peak_integration" value="original"/> | |
16013 <param name="background_subtraction" value="none"/> | |
16014 <param name="recalculate_peaks" value="false"/> | |
16015 <param name="use_precursors" value="false"/> | |
16016 <param name="use_consensus" value="true"/> | |
16017 <param name="recalculate_peaks_max_z" value="1.0"/> | |
16018 <param name="minimal_quality" value="-10000.0"/> | |
16019 <param name="resample_boundary" value="15.0"/> | |
16020 <param name="compute_peak_quality" value="false"/> | |
16021 <param name="compute_peak_shape_metrics" value="false"/> | |
16022 <param name="compute_total_mi" value="true"/> | |
16023 <param name="boundary_selection_method" value="largest"/> | |
16024 <section name="PeakPickerMRM"> | |
16025 <param name="sgolay_frame_length" value="15"/> | |
16026 <param name="sgolay_polynomial_order" value="3"/> | |
16027 <param name="gauss_width" value="50.0"/> | |
16028 <param name="use_gauss" value="true"/> | |
16029 <param name="peak_width" value="40.0"/> | |
16030 <param name="signal_to_noise" value="1.0"/> | |
16031 <param name="sn_win_len" value="1000.0"/> | |
16032 <param name="sn_bin_count" value="30"/> | |
16033 <param name="write_sn_log_messages" value="false"/> | |
16034 <param name="remove_overlapping_peaks" value="true"/> | |
16035 <param name="method" value="legacy"/> | |
16036 </section> | |
16037 <section name="PeakIntegrator"> | |
16038 <param name="integration_type" value="intensity_sum"/> | |
16039 <param name="baseline_type" value="base_to_base"/> | |
16040 <param name="fit_EMG" value="false"/> | |
16041 </section> | |
16042 </section> | |
16043 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16044 <output name="ctd_out" ftype="xml"> | |
16045 <assert_contents> | |
16046 <is_valid_xml/> | |
16047 </assert_contents> | |
16048 </output> | |
16049 </test> | |
16050 </xml> | |
16051 <xml name="autotest_MSFraggerAdapter"/> | |
16052 <xml name="autotest_MSGFPlusAdapter"> | |
16053 <test expect_num_outputs="3"> | |
16054 <conditional name="adv_opts_cond"> | |
16055 <param name="adv_opts_selector" value="advanced"/> | |
16056 <param name="legacy_conversion" value="false"/> | |
16057 <param name="force" value="false"/> | |
16058 <param name="test" value="true"/> | |
16059 </conditional> | |
16060 <param name="in" value="spectra.mzML"/> | |
16061 <output name="out" file="MSGFPlusAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16062 <output name="mzid_out" file="MSGFPlusAdapter_1_out2.tmp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
16063 <param name="database" value="proteins.fasta"/> | |
16064 <param name="add_decoys" value="false"/> | |
16065 <param name="precursor_mass_tolerance" value="10.0"/> | |
16066 <param name="precursor_error_units" value="ppm"/> | |
16067 <param name="isotope_error_range" value="0,1"/> | |
16068 <param name="fragment_method" value="from_spectrum"/> | |
16069 <param name="instrument" value="high_res"/> | |
16070 <param name="enzyme" value="Trypsin/P"/> | |
16071 <param name="protocol" value="none"/> | |
16072 <param name="tryptic" value="fully"/> | |
16073 <param name="min_precursor_charge" value="1"/> | |
16074 <param name="max_precursor_charge" value="3"/> | |
16075 <param name="min_peptide_length" value="6"/> | |
16076 <param name="max_peptide_length" value="40"/> | |
16077 <param name="matches_per_spec" value="1"/> | |
16078 <param name="add_features" value="false"/> | |
16079 <param name="max_mods" value="2"/> | |
16080 <param name="fixed_modifications" value=""/> | |
16081 <param name="variable_modifications" value="Oxidation (M)"/> | |
16082 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,mzid_out_FLAG"/> | |
16083 <output name="ctd_out" ftype="xml"> | |
16084 <assert_contents> | |
16085 <is_valid_xml/> | |
16086 </assert_contents> | |
16087 </output> | |
16088 </test> | |
16089 </xml> | |
16090 <xml name="autotest_MSSimulator"> | |
16091 </xml> | |
16092 <xml name="autotest_MSstatsConverter"> | |
16093 <test expect_num_outputs="2"> | |
16094 <conditional name="adv_opts_cond"> | |
16095 <param name="adv_opts_selector" value="advanced"/> | |
16096 <param name="retention_time_summarization_method" value="max"/> | |
16097 <param name="force" value="false"/> | |
16098 <param name="test" value="true"/> | |
16099 </conditional> | |
16100 <param name="in" value="MSstatsConverter_1_in.consensusXML"/> | |
16101 <param name="in_design" value="MSstatsConverter_1_design.tsv" ftype="tabular"/> | |
16102 <param name="method" value="LFQ"/> | |
16103 <param name="msstats_bioreplicate" value="MSstats_BioReplicate"/> | |
16104 <param name="msstats_condition" value="MSstats_Condition"/> | |
16105 <param name="msstats_mixture" value="MSstats_Mixture"/> | |
16106 <param name="labeled_reference_peptides" value="false"/> | |
16107 <output name="out" file="MSstatsConverter_1_out.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
16108 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16109 <output name="ctd_out" ftype="xml"> | |
16110 <assert_contents> | |
16111 <is_valid_xml/> | |
16112 </assert_contents> | |
16113 </output> | |
16114 </test> | |
16115 <test expect_num_outputs="2"> | |
16116 <conditional name="adv_opts_cond"> | |
16117 <param name="adv_opts_selector" value="advanced"/> | |
16118 <param name="retention_time_summarization_method" value="manual"/> | |
16119 <param name="force" value="false"/> | |
16120 <param name="test" value="true"/> | |
16121 </conditional> | |
16122 <param name="in" value="MSstatsConverter_2_in.consensusXML"/> | |
16123 <param name="in_design" value="MSstatsConverter_2_design.tsv" ftype="tabular"/> | |
16124 <param name="method" value="ISO"/> | |
16125 <param name="msstats_bioreplicate" value="MSstats_BioReplicate"/> | |
16126 <param name="msstats_condition" value="MSstats_Condition"/> | |
16127 <param name="msstats_mixture" value="MSstats_Mixture"/> | |
16128 <param name="labeled_reference_peptides" value="false"/> | |
16129 <output name="out" file="MSstatsConverter_2_out.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
16130 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16131 <output name="ctd_out" ftype="xml"> | |
16132 <assert_contents> | |
16133 <is_valid_xml/> | |
16134 </assert_contents> | |
16135 </output> | |
16136 </test> | |
16137 <test expect_num_outputs="2"> | |
16138 <conditional name="adv_opts_cond"> | |
16139 <param name="adv_opts_selector" value="advanced"/> | |
16140 <param name="retention_time_summarization_method" value="manual"/> | |
16141 <param name="force" value="false"/> | |
16142 <param name="test" value="true"/> | |
16143 </conditional> | |
16144 <param name="in" value="MSstatsConverter_3_in.consensusXML"/> | |
16145 <param name="in_design" value="MSstatsConverter_3_design.tsv" ftype="tabular"/> | |
16146 <param name="method" value="ISO"/> | |
16147 <param name="msstats_bioreplicate" value="MSstats_BioReplicate"/> | |
16148 <param name="msstats_condition" value="MSstats_Condition"/> | |
16149 <param name="msstats_mixture" value="MSstats_Mixture"/> | |
16150 <param name="labeled_reference_peptides" value="false"/> | |
16151 <output name="out" file="MSstatsConverter_3_out.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
16152 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16153 <output name="ctd_out" ftype="xml"> | |
16154 <assert_contents> | |
16155 <is_valid_xml/> | |
16156 </assert_contents> | |
16157 </output> | |
16158 </test> | |
16159 </xml> | |
16160 <xml name="autotest_MultiplexResolver"> | |
16161 <test expect_num_outputs="3"> | |
16162 <conditional name="adv_opts_cond"> | |
16163 <param name="adv_opts_selector" value="advanced"/> | |
16164 <param name="force" value="false"/> | |
16165 <param name="test" value="true"/> | |
16166 </conditional> | |
16167 <param name="in" value="MultiplexResolver_1_input.consensusXML"/> | |
16168 <output name="out" file="MultiplexResolver_1_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16169 <output name="out_conflicts" file="MultiplexResolver_1_output_conflicts.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16170 <section name="algorithm"> | |
16171 <param name="labels" value="[][Lys4,Arg6][Lys8,Arg10]"/> | |
16172 <param name="missed_cleavages" value="1"/> | |
16173 <param name="mass_tolerance" value="0.1"/> | |
16174 <param name="mz_tolerance" value="10"/> | |
16175 <param name="rt_tolerance" value="5"/> | |
16176 </section> | |
16177 <section name="labels"> | |
16178 <param name="Arg6" value="6.0201290268"/> | |
16179 <param name="Arg10" value="10.0082686"/> | |
16180 <param name="Lys4" value="4.0251069836"/> | |
16181 <param name="Lys6" value="6.0201290268"/> | |
16182 <param name="Lys8" value="8.0141988132"/> | |
16183 <param name="Leu3" value="3.01883"/> | |
16184 <param name="Dimethyl0" value="28.0313"/> | |
16185 <param name="Dimethyl4" value="32.056407"/> | |
16186 <param name="Dimethyl6" value="34.063117"/> | |
16187 <param name="Dimethyl8" value="36.07567"/> | |
16188 <param name="ICPL0" value="105.021464"/> | |
16189 <param name="ICPL4" value="109.046571"/> | |
16190 <param name="ICPL6" value="111.041593"/> | |
16191 <param name="ICPL10" value="115.0667"/> | |
16192 </section> | |
16193 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_conflicts_FLAG"/> | |
16194 <output name="ctd_out" ftype="xml"> | |
16195 <assert_contents> | |
16196 <is_valid_xml/> | |
16197 </assert_contents> | |
16198 </output> | |
16199 </test> | |
16200 <test expect_num_outputs="3"> | |
16201 <conditional name="adv_opts_cond"> | |
16202 <param name="adv_opts_selector" value="advanced"/> | |
16203 <param name="force" value="false"/> | |
16204 <param name="test" value="true"/> | |
16205 </conditional> | |
16206 <param name="in" value="MultiplexResolver_2_input.consensusXML"/> | |
16207 <output name="out" file="MultiplexResolver_2_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16208 <output name="out_conflicts" file="MultiplexResolver_2_output_conflicts.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16209 <section name="algorithm"> | |
16210 <param name="labels" value="[Dimethyl0][Dimethyl4][Dimethyl8]"/> | |
16211 <param name="missed_cleavages" value="4"/> | |
16212 <param name="mass_tolerance" value="0.1"/> | |
16213 <param name="mz_tolerance" value="10"/> | |
16214 <param name="rt_tolerance" value="5"/> | |
16215 </section> | |
16216 <section name="labels"> | |
16217 <param name="Arg6" value="6.0201290268"/> | |
16218 <param name="Arg10" value="10.0082686"/> | |
16219 <param name="Lys4" value="4.0251069836"/> | |
16220 <param name="Lys6" value="6.0201290268"/> | |
16221 <param name="Lys8" value="8.0141988132"/> | |
16222 <param name="Leu3" value="3.01883"/> | |
16223 <param name="Dimethyl0" value="28.0313"/> | |
16224 <param name="Dimethyl4" value="32.056407"/> | |
16225 <param name="Dimethyl6" value="34.063117"/> | |
16226 <param name="Dimethyl8" value="36.07567"/> | |
16227 <param name="ICPL0" value="105.021464"/> | |
16228 <param name="ICPL4" value="109.046571"/> | |
16229 <param name="ICPL6" value="111.041593"/> | |
16230 <param name="ICPL10" value="115.0667"/> | |
16231 </section> | |
16232 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_conflicts_FLAG"/> | |
16233 <output name="ctd_out" ftype="xml"> | |
16234 <assert_contents> | |
16235 <is_valid_xml/> | |
16236 </assert_contents> | |
16237 </output> | |
16238 </test> | |
16239 <test expect_num_outputs="3"> | |
16240 <conditional name="adv_opts_cond"> | |
16241 <param name="adv_opts_selector" value="advanced"/> | |
16242 <param name="force" value="false"/> | |
16243 <param name="test" value="true"/> | |
16244 </conditional> | |
16245 <param name="in" value="MultiplexResolver_3_input.consensusXML"/> | |
16246 <output name="out" file="MultiplexResolver_3_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16247 <output name="out_conflicts" file="MultiplexResolver_3_output_conflicts.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16248 <section name="algorithm"> | |
16249 <param name="labels" value="[][Leu3]"/> | |
16250 <param name="missed_cleavages" value="2"/> | |
16251 <param name="mass_tolerance" value="0.1"/> | |
16252 <param name="mz_tolerance" value="10"/> | |
16253 <param name="rt_tolerance" value="5"/> | |
16254 </section> | |
16255 <section name="labels"> | |
16256 <param name="Arg6" value="6.0201290268"/> | |
16257 <param name="Arg10" value="10.0082686"/> | |
16258 <param name="Lys4" value="4.0251069836"/> | |
16259 <param name="Lys6" value="6.0201290268"/> | |
16260 <param name="Lys8" value="8.0141988132"/> | |
16261 <param name="Leu3" value="3.01883"/> | |
16262 <param name="Dimethyl0" value="28.0313"/> | |
16263 <param name="Dimethyl4" value="32.056407"/> | |
16264 <param name="Dimethyl6" value="34.063117"/> | |
16265 <param name="Dimethyl8" value="36.07567"/> | |
16266 <param name="ICPL0" value="105.021464"/> | |
16267 <param name="ICPL4" value="109.046571"/> | |
16268 <param name="ICPL6" value="111.041593"/> | |
16269 <param name="ICPL10" value="115.0667"/> | |
16270 </section> | |
16271 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_conflicts_FLAG"/> | |
16272 <output name="ctd_out" ftype="xml"> | |
16273 <assert_contents> | |
16274 <is_valid_xml/> | |
16275 </assert_contents> | |
16276 </output> | |
16277 </test> | |
16278 <test expect_num_outputs="3"> | |
16279 <conditional name="adv_opts_cond"> | |
16280 <param name="adv_opts_selector" value="advanced"/> | |
16281 <param name="force" value="false"/> | |
16282 <param name="test" value="true"/> | |
16283 </conditional> | |
16284 <param name="in" value="MultiplexResolver_4_input.consensusXML"/> | |
16285 <param name="in_blacklist" value="MultiplexResolver_4_input.mzML"/> | |
16286 <output name="out" file="MultiplexResolver_4_output.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16287 <output name="out_conflicts" file="MultiplexResolver_4_output_conflicts.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
16288 <section name="algorithm"> | |
16289 <param name="labels" value="[Dimethyl0][Dimethyl6]"/> | |
16290 <param name="missed_cleavages" value="3"/> | |
16291 <param name="mass_tolerance" value="0.1"/> | |
16292 <param name="mz_tolerance" value="10"/> | |
16293 <param name="rt_tolerance" value="10"/> | |
16294 </section> | |
16295 <section name="labels"> | |
16296 <param name="Arg6" value="6.0201290268"/> | |
16297 <param name="Arg10" value="10.0082686"/> | |
16298 <param name="Lys4" value="4.0251069836"/> | |
16299 <param name="Lys6" value="6.0201290268"/> | |
16300 <param name="Lys8" value="8.0141988132"/> | |
16301 <param name="Leu3" value="3.01883"/> | |
16302 <param name="Dimethyl0" value="28.0313"/> | |
16303 <param name="Dimethyl4" value="32.056407"/> | |
16304 <param name="Dimethyl6" value="34.063117"/> | |
16305 <param name="Dimethyl8" value="36.07567"/> | |
16306 <param name="ICPL0" value="105.021464"/> | |
16307 <param name="ICPL4" value="109.046571"/> | |
16308 <param name="ICPL6" value="111.041593"/> | |
16309 <param name="ICPL10" value="115.0667"/> | |
16310 </section> | |
16311 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_conflicts_FLAG"/> | |
16312 <output name="ctd_out" ftype="xml"> | |
16313 <assert_contents> | |
16314 <is_valid_xml/> | |
16315 </assert_contents> | |
16316 </output> | |
16317 </test> | |
16318 </xml> | |
16319 <xml name="autotest_MyriMatchAdapter"> | |
16320 <test expect_num_outputs="2"> | |
16321 <conditional name="adv_opts_cond"> | |
16322 <param name="adv_opts_selector" value="advanced"/> | |
16323 <param name="MinPeptideMass" value="0.0"/> | |
16324 <param name="MaxPeptideMass" value="10000.0"/> | |
16325 <param name="MinPeptideLength" value="5"/> | |
16326 <param name="MaxPeptideLength" value="75"/> | |
16327 <param name="UseSmartPlusThreeModel" value="false"/> | |
16328 <param name="NumIntensityClasses" value="3"/> | |
16329 <param name="ClassSizeMultiplier" value="2.0"/> | |
16330 <param name="MonoisotopeAdjustmentSet" value="[-1,2]"/> | |
16331 <param name="SpectrumListFilters" value=""/> | |
16332 <param name="ignoreConfigErrors" value="false"/> | |
16333 <param name="force" value="false"/> | |
16334 <param name="test" value="true"/> | |
16335 </conditional> | |
16336 <param name="in" value="spectra.mzML"/> | |
16337 <output name="out" file="MyriMatchAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16338 <param name="precursor_mass_tolerance" value="5.0"/> | |
16339 <param name="precursor_mass_tolerance_unit" value="ppm"/> | |
16340 <param name="precursor_mass_tolerance_avg" value="false"/> | |
16341 <param name="fragment_mass_tolerance" value="0.3"/> | |
16342 <param name="fragment_mass_tolerance_unit" value="Da"/> | |
16343 <param name="database" value="proteins.fasta"/> | |
16344 <param name="fixed_modifications" value=""/> | |
16345 <param name="variable_modifications" value="Oxidation (M)"/> | |
16346 <param name="NumChargeStates" value="3"/> | |
16347 <param name="TicCutoffPercentage" value="0.98"/> | |
16348 <param name="MaxDynamicMods" value="2"/> | |
16349 <param name="MaxResultRank" value="5"/> | |
16350 <param name="CleavageRules" value=""/> | |
16351 <param name="MinTerminiCleavages" value="2"/> | |
16352 <param name="MaxMissedCleavages" value="-1"/> | |
16353 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16354 <output name="ctd_out" ftype="xml"> | |
16355 <assert_contents> | |
16356 <is_valid_xml/> | |
16357 </assert_contents> | |
16358 </output> | |
16359 </test> | |
16360 </xml> | |
16361 <xml name="autotest_MzMLSplitter"/> | |
16362 <xml name="autotest_MzTabExporter"> | |
16363 <test expect_num_outputs="2"> | |
16364 <conditional name="adv_opts_cond"> | |
16365 <param name="adv_opts_selector" value="advanced"/> | |
16366 <param name="first_run_inference_only" value="false"/> | |
16367 <param name="force" value="false"/> | |
16368 <param name="test" value="true"/> | |
16369 </conditional> | |
16370 <param name="in" value="MzTabExporter_1_input.consensusXML"/> | |
16371 <output name="out" file="MzTabExporter_1_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
16372 <param name="opt_columns" value="subfeatures"/> | |
16373 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16374 <output name="ctd_out" ftype="xml"> | |
16375 <assert_contents> | |
16376 <is_valid_xml/> | |
16377 </assert_contents> | |
16378 </output> | |
16379 </test> | |
16380 <test expect_num_outputs="2"> | |
16381 <conditional name="adv_opts_cond"> | |
16382 <param name="adv_opts_selector" value="advanced"/> | |
16383 <param name="first_run_inference_only" value="false"/> | |
16384 <param name="force" value="false"/> | |
16385 <param name="test" value="true"/> | |
16386 </conditional> | |
16387 <param name="in" value="MzTabExporter_2_input.idXML"/> | |
16388 <output name="out" file="MzTabExporter_2_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
16389 <param name="opt_columns" value="subfeatures"/> | |
16390 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16391 <output name="ctd_out" ftype="xml"> | |
16392 <assert_contents> | |
16393 <is_valid_xml/> | |
16394 </assert_contents> | |
16395 </output> | |
16396 </test> | |
16397 <test expect_num_outputs="2"> | |
16398 <conditional name="adv_opts_cond"> | |
16399 <param name="adv_opts_selector" value="advanced"/> | |
16400 <param name="first_run_inference_only" value="false"/> | |
16401 <param name="force" value="false"/> | |
16402 <param name="test" value="true"/> | |
16403 </conditional> | |
16404 <param name="in" value="MzTabExporter_3_input.featureXML"/> | |
16405 <output name="out" file="MzTabExporter_3_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
16406 <param name="opt_columns" value="subfeatures"/> | |
16407 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16408 <output name="ctd_out" ftype="xml"> | |
16409 <assert_contents> | |
16410 <is_valid_xml/> | |
16411 </assert_contents> | |
16412 </output> | |
16413 </test> | |
16414 </xml> | |
16415 <xml name="autotest_NoiseFilterGaussian"> | |
16416 <test expect_num_outputs="2"> | |
16417 <conditional name="adv_opts_cond"> | |
16418 <param name="adv_opts_selector" value="advanced"/> | |
16419 <param name="processOption" value="inmemory"/> | |
16420 <param name="force" value="false"/> | |
16421 <param name="test" value="true"/> | |
16422 </conditional> | |
16423 <param name="in" value="NoiseFilterGaussian_1_input.mzML"/> | |
16424 <output name="out" file="NoiseFilterGaussian_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16425 <section name="algorithm"> | |
16426 <param name="gaussian_width" value="1.0"/> | |
16427 <param name="ppm_tolerance" value="10.0"/> | |
16428 <param name="use_ppm_tolerance" value="false"/> | |
16429 </section> | |
16430 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16431 <output name="ctd_out" ftype="xml"> | |
16432 <assert_contents> | |
16433 <is_valid_xml/> | |
16434 </assert_contents> | |
16435 </output> | |
16436 </test> | |
16437 <test expect_num_outputs="2"> | |
16438 <conditional name="adv_opts_cond"> | |
16439 <param name="adv_opts_selector" value="advanced"/> | |
16440 <param name="processOption" value="inmemory"/> | |
16441 <param name="force" value="false"/> | |
16442 <param name="test" value="true"/> | |
16443 </conditional> | |
16444 <param name="in" value="NoiseFilterGaussian_2_input.chrom.mzML"/> | |
16445 <output name="out" file="NoiseFilterGaussian_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16446 <section name="algorithm"> | |
16447 <param name="gaussian_width" value="50.0"/> | |
16448 <param name="ppm_tolerance" value="10.0"/> | |
16449 <param name="use_ppm_tolerance" value="false"/> | |
16450 </section> | |
16451 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16452 <output name="ctd_out" ftype="xml"> | |
16453 <assert_contents> | |
16454 <is_valid_xml/> | |
16455 </assert_contents> | |
16456 </output> | |
16457 </test> | |
16458 <test expect_num_outputs="2"> | |
16459 <conditional name="adv_opts_cond"> | |
16460 <param name="adv_opts_selector" value="advanced"/> | |
16461 <param name="processOption" value="lowmemory"/> | |
16462 <param name="force" value="false"/> | |
16463 <param name="test" value="true"/> | |
16464 </conditional> | |
16465 <param name="in" value="NoiseFilterGaussian_1_input.mzML"/> | |
16466 <output name="out" file="NoiseFilterGaussian_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16467 <section name="algorithm"> | |
16468 <param name="gaussian_width" value="1.0"/> | |
16469 <param name="ppm_tolerance" value="10.0"/> | |
16470 <param name="use_ppm_tolerance" value="false"/> | |
16471 </section> | |
16472 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16473 <output name="ctd_out" ftype="xml"> | |
16474 <assert_contents> | |
16475 <is_valid_xml/> | |
16476 </assert_contents> | |
16477 </output> | |
16478 </test> | |
16479 <test expect_num_outputs="2"> | |
16480 <conditional name="adv_opts_cond"> | |
16481 <param name="adv_opts_selector" value="advanced"/> | |
16482 <param name="processOption" value="lowmemory"/> | |
16483 <param name="force" value="false"/> | |
16484 <param name="test" value="true"/> | |
16485 </conditional> | |
16486 <param name="in" value="NoiseFilterGaussian_2_input.chrom.mzML"/> | |
16487 <output name="out" file="NoiseFilterGaussian_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16488 <section name="algorithm"> | |
16489 <param name="gaussian_width" value="50.0"/> | |
16490 <param name="ppm_tolerance" value="10.0"/> | |
16491 <param name="use_ppm_tolerance" value="false"/> | |
16492 </section> | |
16493 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16494 <output name="ctd_out" ftype="xml"> | |
16495 <assert_contents> | |
16496 <is_valid_xml/> | |
16497 </assert_contents> | |
16498 </output> | |
16499 </test> | |
16500 </xml> | |
16501 <xml name="autotest_NoiseFilterSGolay"> | |
16502 <test expect_num_outputs="2"> | |
16503 <conditional name="adv_opts_cond"> | |
16504 <param name="adv_opts_selector" value="advanced"/> | |
16505 <param name="processOption" value="inmemory"/> | |
16506 <param name="force" value="false"/> | |
16507 <param name="test" value="true"/> | |
16508 </conditional> | |
16509 <param name="in" value="NoiseFilterSGolay_1_input.mzML"/> | |
16510 <output name="out" file="NoiseFilterSGolay_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16511 <section name="algorithm"> | |
16512 <param name="frame_length" value="9"/> | |
16513 <param name="polynomial_order" value="4"/> | |
16514 </section> | |
16515 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16516 <output name="ctd_out" ftype="xml"> | |
16517 <assert_contents> | |
16518 <is_valid_xml/> | |
16519 </assert_contents> | |
16520 </output> | |
16521 </test> | |
16522 <test expect_num_outputs="2"> | |
16523 <conditional name="adv_opts_cond"> | |
16524 <param name="adv_opts_selector" value="advanced"/> | |
16525 <param name="processOption" value="inmemory"/> | |
16526 <param name="force" value="false"/> | |
16527 <param name="test" value="true"/> | |
16528 </conditional> | |
16529 <param name="in" value="NoiseFilterSGolay_2_input.chrom.mzML"/> | |
16530 <output name="out" file="NoiseFilterSGolay_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16531 <section name="algorithm"> | |
16532 <param name="frame_length" value="11"/> | |
16533 <param name="polynomial_order" value="4"/> | |
16534 </section> | |
16535 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16536 <output name="ctd_out" ftype="xml"> | |
16537 <assert_contents> | |
16538 <is_valid_xml/> | |
16539 </assert_contents> | |
16540 </output> | |
16541 </test> | |
16542 <test expect_num_outputs="2"> | |
16543 <conditional name="adv_opts_cond"> | |
16544 <param name="adv_opts_selector" value="advanced"/> | |
16545 <param name="processOption" value="lowmemory"/> | |
16546 <param name="force" value="false"/> | |
16547 <param name="test" value="true"/> | |
16548 </conditional> | |
16549 <param name="in" value="NoiseFilterSGolay_1_input.mzML"/> | |
16550 <output name="out" file="NoiseFilterSGolay_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16551 <section name="algorithm"> | |
16552 <param name="frame_length" value="9"/> | |
16553 <param name="polynomial_order" value="4"/> | |
16554 </section> | |
16555 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16556 <output name="ctd_out" ftype="xml"> | |
16557 <assert_contents> | |
16558 <is_valid_xml/> | |
16559 </assert_contents> | |
16560 </output> | |
16561 </test> | |
16562 <test expect_num_outputs="2"> | |
16563 <conditional name="adv_opts_cond"> | |
16564 <param name="adv_opts_selector" value="advanced"/> | |
16565 <param name="processOption" value="lowmemory"/> | |
16566 <param name="force" value="false"/> | |
16567 <param name="test" value="true"/> | |
16568 </conditional> | |
16569 <param name="in" value="NoiseFilterSGolay_2_input.chrom.mzML"/> | |
16570 <output name="out" file="NoiseFilterSGolay_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
16571 <section name="algorithm"> | |
16572 <param name="frame_length" value="11"/> | |
16573 <param name="polynomial_order" value="4"/> | |
16574 </section> | |
16575 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16576 <output name="ctd_out" ftype="xml"> | |
16577 <assert_contents> | |
16578 <is_valid_xml/> | |
16579 </assert_contents> | |
16580 </output> | |
16581 </test> | |
16582 </xml> | |
16583 <xml name="autotest_NovorAdapter"/> | |
16584 <xml name="autotest_NucleicAcidSearchEngine"> | |
16585 <test expect_num_outputs="3"> | |
16586 <conditional name="adv_opts_cond"> | |
16587 <param name="adv_opts_selector" value="advanced"/> | |
16588 <param name="decharge_ms2" value="false"/> | |
16589 <param name="force" value="false"/> | |
16590 <param name="test" value="true"/> | |
16591 </conditional> | |
16592 <param name="in" value="NucleicAcidSearchEngine_1.mzML"/> | |
16593 <param name="database" value="NucleicAcidSearchEngine_1.fasta"/> | |
16594 <output name="out" file="NucleicAcidSearchEngine_12_out.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
16595 <output name="id_out" file="NucleicAcidSearchEngine_11_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16596 <section name="precursor"> | |
16597 <param name="mass_tolerance" value="5.0"/> | |
16598 <param name="mass_tolerance_unit" value="ppm"/> | |
16599 <param name="min_charge" value="-2"/> | |
16600 <param name="max_charge" value="-14"/> | |
16601 <param name="include_unknown_charge" value="true"/> | |
16602 <param name="use_avg_mass" value="false"/> | |
16603 <param name="use_adducts" value="false"/> | |
16604 <param name="potential_adducts" value=""K:+" "Na:+" "Na2:++" "K2:++" "NaK:++" "K3:+++" "Na3:+++" "NaK2:+++" "Na2K:+++""/> | |
16605 <param name="isotopes" value="0 1 2"/> | |
16606 </section> | |
16607 <section name="fragment"> | |
16608 <param name="mass_tolerance" value="5.0"/> | |
16609 <param name="mass_tolerance_unit" value="ppm"/> | |
16610 <param name="ions" value="a-B,c,w,y"/> | |
16611 </section> | |
16612 <section name="modifications"> | |
16613 <param name="variable" value=""/> | |
16614 <param name="variable_max_per_oligo" value="2"/> | |
16615 <param name="resolve_ambiguities" value="false"/> | |
16616 </section> | |
16617 <section name="oligo"> | |
16618 <param name="min_size" value="5"/> | |
16619 <param name="max_size" value="0"/> | |
16620 <param name="missed_cleavages" value="22"/> | |
16621 <param name="enzyme" value="no cleavage"/> | |
16622 </section> | |
16623 <section name="report"> | |
16624 <param name="top_hits" value="1"/> | |
16625 </section> | |
16626 <section name="fdr"> | |
16627 <param name="decoy_pattern" value="DECOY_"/> | |
16628 <param name="cutoff" value="0.05"/> | |
16629 <param name="remove_decoys" value="true"/> | |
16630 </section> | |
16631 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,id_out_FLAG"/> | |
16632 <output name="ctd_out" ftype="xml"> | |
16633 <assert_contents> | |
16634 <is_valid_xml/> | |
16635 </assert_contents> | |
16636 </output> | |
16637 </test> | |
16638 </xml> | |
16639 <xml name="autotest_OMSSAAdapter"> | |
16640 <test expect_num_outputs="2"> | |
16641 <conditional name="adv_opts_cond"> | |
16642 <param name="adv_opts_selector" value="advanced"/> | |
16643 <param name="pc" value="1"/> | |
16644 <param name="hs" value="4"/> | |
16645 <param name="tez" value="1"/> | |
16646 <param name="tom" value="0"/> | |
16647 <param name="tem" value="0"/> | |
16648 <param name="tex" value="1446.94"/> | |
16649 <param name="zt" value="3"/> | |
16650 <param name="z1" value="0.95"/> | |
16651 <param name="zc" value="1"/> | |
16652 <param name="zcc" value="2"/> | |
16653 <param name="zoh" value="2"/> | |
16654 <param name="no" value="4"/> | |
16655 <param name="nox" value="40"/> | |
16656 <param name="i" value="1,4"/> | |
16657 <param name="sp" value="100"/> | |
16658 <param name="sb1" value="1"/> | |
16659 <param name="sct" value="0"/> | |
16660 <param name="x" value="0"/> | |
16661 <param name="hm" value="2"/> | |
16662 <param name="ht" value="6"/> | |
16663 <param name="mm" value="128"/> | |
16664 <param name="mnm" value="false"/> | |
16665 <param name="is" value="0.0"/> | |
16666 <param name="ir" value="0.0"/> | |
16667 <param name="ii" value="0.0"/> | |
16668 <param name="chunk_size" value="0"/> | |
16669 <param name="force" value="false"/> | |
16670 <param name="test" value="true"/> | |
16671 </conditional> | |
16672 <param name="in" value="spectra.mzML"/> | |
16673 <output name="out" file="OMSSAAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16674 <param name="precursor_mass_tolerance" value="5.0"/> | |
16675 <param name="precursor_error_units" value="ppm"/> | |
16676 <param name="fragment_mass_tolerance" value="0.3"/> | |
16677 <param name="database" value="proteins.fasta"/> | |
16678 <param name="min_precursor_charge" value="1"/> | |
16679 <param name="max_precursor_charge" value="3"/> | |
16680 <param name="fixed_modifications" value=""/> | |
16681 <param name="variable_modifications" value="Oxidation (M)"/> | |
16682 <param name="v" value="1"/> | |
16683 <param name="enzyme" value="Trypsin"/> | |
16684 <param name="hl" value="30"/> | |
16685 <param name="he" value="1.0"/> | |
16686 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16687 <output name="ctd_out" ftype="xml"> | |
16688 <assert_contents> | |
16689 <is_valid_xml/> | |
16690 </assert_contents> | |
16691 </output> | |
16692 </test> | |
16693 </xml> | |
16694 <xml name="autotest_OpenPepXLLF"> | |
16695 <test expect_num_outputs="5"> | |
16696 <conditional name="adv_opts_cond"> | |
16697 <param name="adv_opts_selector" value="advanced"/> | |
16698 <param name="force" value="false"/> | |
16699 <param name="test" value="true"/> | |
16700 </conditional> | |
16701 <param name="in" value="OpenPepXLLF_input.mzML"/> | |
16702 <param name="database" value="OpenPepXLLF_input.fasta"/> | |
16703 <param name="decoy_string" value="decoy"/> | |
16704 <param name="decoy_prefix" value="true"/> | |
16705 <output name="out_idXML" file="OpenPepXLLF_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16706 <output name="out_mzIdentML" file="OpenPepXLLF_output.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
16707 <output name="out_xquestxml" file="OpenPepXLLF_output.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
16708 <output name="out_xquest_specxml" file="OpenPepXLLF_output.spec.xml" compare="sim_size" delta="5700" ftype="spec.xml"/> | |
16709 <section name="precursor"> | |
16710 <param name="mass_tolerance" value="10.0"/> | |
16711 <param name="mass_tolerance_unit" value="ppm"/> | |
16712 <param name="min_charge" value="3"/> | |
16713 <param name="max_charge" value="7"/> | |
16714 <param name="corrections" value="2 1 0"/> | |
16715 </section> | |
16716 <section name="fragment"> | |
16717 <param name="mass_tolerance" value="20.0"/> | |
16718 <param name="mass_tolerance_xlinks" value="20.0"/> | |
16719 <param name="mass_tolerance_unit" value="ppm"/> | |
16720 </section> | |
16721 <section name="modifications"> | |
16722 <param name="fixed" value=""/> | |
16723 <param name="variable" value=""/> | |
16724 <param name="variable_max_per_peptide" value="2"/> | |
16725 </section> | |
16726 <section name="peptide"> | |
16727 <param name="min_size" value="5"/> | |
16728 <param name="missed_cleavages" value="2"/> | |
16729 <param name="enzyme" value="Trypsin"/> | |
16730 </section> | |
16731 <section name="cross_linker"> | |
16732 <param name="residue1" value=""K" "N-term""/> | |
16733 <param name="residue2" value=""K" "N-term""/> | |
16734 <param name="mass" value="138.0680796"/> | |
16735 <param name="mass_mono_link" value="156.07864431 155.094628715"/> | |
16736 <param name="name" value="DSS"/> | |
16737 </section> | |
16738 <section name="algorithm"> | |
16739 <param name="number_top_hits" value="5"/> | |
16740 <param name="deisotope" value="auto"/> | |
16741 <param name="use_sequence_tags" value="false"/> | |
16742 <param name="sequence_tag_min_length" value="2"/> | |
16743 </section> | |
16744 <section name="ions"> | |
16745 <param name="b_ions" value="true"/> | |
16746 <param name="y_ions" value="true"/> | |
16747 <param name="a_ions" value="false"/> | |
16748 <param name="x_ions" value="false"/> | |
16749 <param name="c_ions" value="false"/> | |
16750 <param name="z_ions" value="false"/> | |
16751 <param name="neutral_losses" value="true"/> | |
16752 </section> | |
16753 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquestxml_FLAG,out_xquest_specxml_FLAG"/> | |
16754 <output name="ctd_out" ftype="xml"> | |
16755 <assert_contents> | |
16756 <is_valid_xml/> | |
16757 </assert_contents> | |
16758 </output> | |
16759 </test> | |
16760 <test expect_num_outputs="2"> | |
16761 <conditional name="adv_opts_cond"> | |
16762 <param name="adv_opts_selector" value="advanced"/> | |
16763 <param name="force" value="false"/> | |
16764 <param name="test" value="true"/> | |
16765 </conditional> | |
16766 <param name="in" value="OpenPepXLLF_input2.mzML"/> | |
16767 <param name="database" value="OpenPepXLLF_input2.fasta"/> | |
16768 <param name="decoy_string" value="decoy_"/> | |
16769 <param name="decoy_prefix" value="true"/> | |
16770 <output name="out_idXML" file="OpenPepXLLF_output2.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16771 <section name="precursor"> | |
16772 <param name="mass_tolerance" value="10.0"/> | |
16773 <param name="mass_tolerance_unit" value="ppm"/> | |
16774 <param name="min_charge" value="3"/> | |
16775 <param name="max_charge" value="7"/> | |
16776 <param name="corrections" value="1 0"/> | |
16777 </section> | |
16778 <section name="fragment"> | |
16779 <param name="mass_tolerance" value="0.2"/> | |
16780 <param name="mass_tolerance_xlinks" value="0.3"/> | |
16781 <param name="mass_tolerance_unit" value="Da"/> | |
16782 </section> | |
16783 <section name="modifications"> | |
16784 <param name="fixed" value="Carbamidomethyl (C)"/> | |
16785 <param name="variable" value="Oxidation (M)"/> | |
16786 <param name="variable_max_per_peptide" value="1"/> | |
16787 </section> | |
16788 <section name="peptide"> | |
16789 <param name="min_size" value="5"/> | |
16790 <param name="missed_cleavages" value="1"/> | |
16791 <param name="enzyme" value="Trypsin"/> | |
16792 </section> | |
16793 <section name="cross_linker"> | |
16794 <param name="residue1" value=""D" "E" "C-term""/> | |
16795 <param name="residue2" value=""K" "S" "T" "Y" "N-term""/> | |
16796 <param name="mass" value="-18.010595"/> | |
16797 <param name="mass_mono_link" value=""/> | |
16798 <param name="name" value="DMTMM"/> | |
16799 </section> | |
16800 <section name="algorithm"> | |
16801 <param name="number_top_hits" value="1"/> | |
16802 <param name="deisotope" value="auto"/> | |
16803 <param name="use_sequence_tags" value="false"/> | |
16804 <param name="sequence_tag_min_length" value="2"/> | |
16805 </section> | |
16806 <section name="ions"> | |
16807 <param name="b_ions" value="true"/> | |
16808 <param name="y_ions" value="true"/> | |
16809 <param name="a_ions" value="false"/> | |
16810 <param name="x_ions" value="false"/> | |
16811 <param name="c_ions" value="false"/> | |
16812 <param name="z_ions" value="false"/> | |
16813 <param name="neutral_losses" value="true"/> | |
16814 </section> | |
16815 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG"/> | |
16816 <output name="ctd_out" ftype="xml"> | |
16817 <assert_contents> | |
16818 <is_valid_xml/> | |
16819 </assert_contents> | |
16820 </output> | |
16821 </test> | |
16822 </xml> | |
16823 <xml name="autotest_OpenPepXL"> | |
16824 <test expect_num_outputs="5"> | |
16825 <conditional name="adv_opts_cond"> | |
16826 <param name="adv_opts_selector" value="advanced"/> | |
16827 <param name="force" value="false"/> | |
16828 <param name="test" value="true"/> | |
16829 </conditional> | |
16830 <param name="in" value="OpenPepXL_input.mzML"/> | |
16831 <param name="consensus" value="OpenPepXL_input.consensusXML"/> | |
16832 <param name="database" value="OpenPepXL_input.fasta"/> | |
16833 <param name="decoy_string" value="decoy"/> | |
16834 <param name="decoy_prefix" value="true"/> | |
16835 <output name="out_idXML" file="OpenPepXL_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
16836 <output name="out_mzIdentML" file="OpenPepXL_output.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
16837 <output name="out_xquestxml" file="OpenPepXL_output.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
16838 <output name="out_xquest_specxml" file="OpenPepXL_output.spec.xml" compare="sim_size" delta="5700" ftype="spec.xml"/> | |
16839 <section name="precursor"> | |
16840 <param name="mass_tolerance" value="10.0"/> | |
16841 <param name="mass_tolerance_unit" value="ppm"/> | |
16842 <param name="min_charge" value="3"/> | |
16843 <param name="max_charge" value="7"/> | |
16844 <param name="corrections" value="2 1 0"/> | |
16845 </section> | |
16846 <section name="fragment"> | |
16847 <param name="mass_tolerance" value="0.2"/> | |
16848 <param name="mass_tolerance_xlinks" value="0.3"/> | |
16849 <param name="mass_tolerance_unit" value="Da"/> | |
16850 </section> | |
16851 <section name="modifications"> | |
16852 <param name="fixed" value=""/> | |
16853 <param name="variable" value=""/> | |
16854 <param name="variable_max_per_peptide" value="2"/> | |
16855 </section> | |
16856 <section name="peptide"> | |
16857 <param name="min_size" value="5"/> | |
16858 <param name="missed_cleavages" value="2"/> | |
16859 <param name="enzyme" value="Trypsin"/> | |
16860 </section> | |
16861 <section name="cross_linker"> | |
16862 <param name="residue1" value=""K" "N-term""/> | |
16863 <param name="residue2" value=""K" "N-term""/> | |
16864 <param name="mass_light" value="138.0680796"/> | |
16865 <param name="mass_iso_shift" value="12.075321"/> | |
16866 <param name="mass_mono_link" value="156.07864431 155.094628715"/> | |
16867 <param name="name" value="DSS"/> | |
16868 </section> | |
16869 <section name="algorithm"> | |
16870 <param name="number_top_hits" value="5"/> | |
16871 <param name="deisotope" value="auto"/> | |
16872 </section> | |
16873 <section name="ions"> | |
16874 <param name="b_ions" value="true"/> | |
16875 <param name="y_ions" value="true"/> | |
16876 <param name="a_ions" value="false"/> | |
16877 <param name="x_ions" value="false"/> | |
16878 <param name="c_ions" value="false"/> | |
16879 <param name="z_ions" value="false"/> | |
16880 <param name="neutral_losses" value="true"/> | |
16881 </section> | |
16882 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquestxml_FLAG,out_xquest_specxml_FLAG"/> | |
16883 <output name="ctd_out" ftype="xml"> | |
16884 <assert_contents> | |
16885 <is_valid_xml/> | |
16886 </assert_contents> | |
16887 </output> | |
16888 </test> | |
16889 </xml> | |
16890 <xml name="autotest_OpenSwathAnalyzer"> | |
16891 <test expect_num_outputs="2"> | |
16892 <conditional name="adv_opts_cond"> | |
16893 <param name="adv_opts_selector" value="advanced"/> | |
16894 <param name="force" value="false"/> | |
16895 <param name="test" value="true"/> | |
16896 </conditional> | |
16897 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
16898 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
16899 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
16900 <output name="out" file="OpenSwathAnalyzer_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
16901 <param name="no_strict" value="false"/> | |
16902 <param name="min_upper_edge_dist" value="0.0"/> | |
16903 <section name="model"> | |
16904 <param name="type" value="linear"/> | |
16905 <param name="symmetric_regression" value="false"/> | |
16906 </section> | |
16907 <section name="algorithm"> | |
16908 <param name="stop_report_after_feature" value="-1"/> | |
16909 <param name="rt_extraction_window" value="-1.0"/> | |
16910 <param name="rt_normalization_factor" value="1.0"/> | |
16911 <param name="quantification_cutoff" value="0.0"/> | |
16912 <param name="write_convex_hull" value="false"/> | |
16913 <param name="spectrum_addition_method" value="simple"/> | |
16914 <param name="add_up_spectra" value="1"/> | |
16915 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
16916 <param name="uis_threshold_sn" value="-1"/> | |
16917 <param name="uis_threshold_peak_area" value="0"/> | |
16918 <param name="scoring_model" value="default"/> | |
16919 <param name="im_extra_drift" value="0.0"/> | |
16920 <section name="TransitionGroupPicker"> | |
16921 <param name="stop_after_feature" value="-1"/> | |
16922 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
16923 <param name="min_peak_width" value="-1.0"/> | |
16924 <param name="peak_integration" value="original"/> | |
16925 <param name="background_subtraction" value="none"/> | |
16926 <param name="recalculate_peaks" value="false"/> | |
16927 <param name="use_precursors" value="false"/> | |
16928 <param name="use_consensus" value="true"/> | |
16929 <param name="recalculate_peaks_max_z" value="1.0"/> | |
16930 <param name="minimal_quality" value="-10000.0"/> | |
16931 <param name="resample_boundary" value="15.0"/> | |
16932 <param name="compute_peak_quality" value="false"/> | |
16933 <param name="compute_peak_shape_metrics" value="false"/> | |
16934 <param name="compute_total_mi" value="false"/> | |
16935 <param name="boundary_selection_method" value="largest"/> | |
16936 <section name="PeakPickerMRM"> | |
16937 <param name="sgolay_frame_length" value="15"/> | |
16938 <param name="sgolay_polynomial_order" value="3"/> | |
16939 <param name="gauss_width" value="50.0"/> | |
16940 <param name="use_gauss" value="true"/> | |
16941 <param name="peak_width" value="40.0"/> | |
16942 <param name="signal_to_noise" value="1.0"/> | |
16943 <param name="sn_win_len" value="1000.0"/> | |
16944 <param name="sn_bin_count" value="30"/> | |
16945 <param name="write_sn_log_messages" value="false"/> | |
16946 <param name="remove_overlapping_peaks" value="false"/> | |
16947 <param name="method" value="legacy"/> | |
16948 </section> | |
16949 <section name="PeakIntegrator"> | |
16950 <param name="integration_type" value="intensity_sum"/> | |
16951 <param name="baseline_type" value="base_to_base"/> | |
16952 <param name="fit_EMG" value="false"/> | |
16953 </section> | |
16954 </section> | |
16955 <section name="DIAScoring"> | |
16956 <param name="dia_extraction_window" value="0.05"/> | |
16957 <param name="dia_extraction_unit" value="Th"/> | |
16958 <param name="dia_centroided" value="false"/> | |
16959 <param name="dia_byseries_intensity_min" value="300.0"/> | |
16960 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
16961 <param name="dia_nr_isotopes" value="4"/> | |
16962 <param name="dia_nr_charges" value="4"/> | |
16963 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
16964 </section> | |
16965 <section name="EMGScoring"> | |
16966 <param name="interpolation_step" value="0.2"/> | |
16967 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
16968 <param name="max_iteration" value="500"/> | |
16969 <section name="statistics"> | |
16970 <param name="mean" value="1.0"/> | |
16971 <param name="variance" value="1.0"/> | |
16972 </section> | |
16973 </section> | |
16974 <section name="Scores"> | |
16975 <param name="use_shape_score" value="true"/> | |
16976 <param name="use_coelution_score" value="true"/> | |
16977 <param name="use_rt_score" value="true"/> | |
16978 <param name="use_library_score" value="true"/> | |
16979 <param name="use_elution_model_score" value="true"/> | |
16980 <param name="use_intensity_score" value="true"/> | |
16981 <param name="use_nr_peaks_score" value="true"/> | |
16982 <param name="use_total_xic_score" value="true"/> | |
16983 <param name="use_total_mi_score" value="false"/> | |
16984 <param name="use_sn_score" value="true"/> | |
16985 <param name="use_mi_score" value="false"/> | |
16986 <param name="use_dia_scores" value="true"/> | |
16987 <param name="use_ms1_correlation" value="false"/> | |
16988 <param name="use_sonar_scores" value="false"/> | |
16989 <param name="use_ion_mobility_scores" value="false"/> | |
16990 <param name="use_ms1_fullscan" value="false"/> | |
16991 <param name="use_ms1_mi" value="false"/> | |
16992 <param name="use_uis_scores" value="false"/> | |
16993 </section> | |
16994 </section> | |
16995 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
16996 <output name="ctd_out" ftype="xml"> | |
16997 <assert_contents> | |
16998 <is_valid_xml/> | |
16999 </assert_contents> | |
17000 </output> | |
17001 </test> | |
17002 <test expect_num_outputs="2"> | |
17003 <conditional name="adv_opts_cond"> | |
17004 <param name="adv_opts_selector" value="advanced"/> | |
17005 <param name="force" value="false"/> | |
17006 <param name="test" value="true"/> | |
17007 </conditional> | |
17008 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17009 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
17010 <output name="out" file="OpenSwathAnalyzer_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17011 <param name="no_strict" value="false"/> | |
17012 <param name="swath_files" value="OpenSwathAnalyzer_2_swathfile.mzML"/> | |
17013 <param name="min_upper_edge_dist" value="0.0"/> | |
17014 <section name="model"> | |
17015 <param name="type" value="linear"/> | |
17016 <param name="symmetric_regression" value="false"/> | |
17017 </section> | |
17018 <section name="algorithm"> | |
17019 <param name="stop_report_after_feature" value="-1"/> | |
17020 <param name="rt_extraction_window" value="-1.0"/> | |
17021 <param name="rt_normalization_factor" value="1.0"/> | |
17022 <param name="quantification_cutoff" value="0.0"/> | |
17023 <param name="write_convex_hull" value="false"/> | |
17024 <param name="spectrum_addition_method" value="simple"/> | |
17025 <param name="add_up_spectra" value="1"/> | |
17026 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17027 <param name="uis_threshold_sn" value="-1"/> | |
17028 <param name="uis_threshold_peak_area" value="0"/> | |
17029 <param name="scoring_model" value="default"/> | |
17030 <param name="im_extra_drift" value="0.0"/> | |
17031 <section name="TransitionGroupPicker"> | |
17032 <param name="stop_after_feature" value="-1"/> | |
17033 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17034 <param name="min_peak_width" value="-1.0"/> | |
17035 <param name="peak_integration" value="original"/> | |
17036 <param name="background_subtraction" value="none"/> | |
17037 <param name="recalculate_peaks" value="false"/> | |
17038 <param name="use_precursors" value="false"/> | |
17039 <param name="use_consensus" value="true"/> | |
17040 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17041 <param name="minimal_quality" value="-10000.0"/> | |
17042 <param name="resample_boundary" value="15.0"/> | |
17043 <param name="compute_peak_quality" value="false"/> | |
17044 <param name="compute_peak_shape_metrics" value="false"/> | |
17045 <param name="compute_total_mi" value="false"/> | |
17046 <param name="boundary_selection_method" value="largest"/> | |
17047 <section name="PeakPickerMRM"> | |
17048 <param name="sgolay_frame_length" value="15"/> | |
17049 <param name="sgolay_polynomial_order" value="3"/> | |
17050 <param name="gauss_width" value="50.0"/> | |
17051 <param name="use_gauss" value="true"/> | |
17052 <param name="peak_width" value="40.0"/> | |
17053 <param name="signal_to_noise" value="1.0"/> | |
17054 <param name="sn_win_len" value="1000.0"/> | |
17055 <param name="sn_bin_count" value="30"/> | |
17056 <param name="write_sn_log_messages" value="false"/> | |
17057 <param name="remove_overlapping_peaks" value="false"/> | |
17058 <param name="method" value="legacy"/> | |
17059 </section> | |
17060 <section name="PeakIntegrator"> | |
17061 <param name="integration_type" value="intensity_sum"/> | |
17062 <param name="baseline_type" value="base_to_base"/> | |
17063 <param name="fit_EMG" value="false"/> | |
17064 </section> | |
17065 </section> | |
17066 <section name="DIAScoring"> | |
17067 <param name="dia_extraction_window" value="0.05"/> | |
17068 <param name="dia_extraction_unit" value="Th"/> | |
17069 <param name="dia_centroided" value="false"/> | |
17070 <param name="dia_byseries_intensity_min" value="300.0"/> | |
17071 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
17072 <param name="dia_nr_isotopes" value="4"/> | |
17073 <param name="dia_nr_charges" value="4"/> | |
17074 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17075 </section> | |
17076 <section name="EMGScoring"> | |
17077 <param name="interpolation_step" value="0.2"/> | |
17078 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17079 <param name="max_iteration" value="500"/> | |
17080 <section name="statistics"> | |
17081 <param name="mean" value="1.0"/> | |
17082 <param name="variance" value="1.0"/> | |
17083 </section> | |
17084 </section> | |
17085 <section name="Scores"> | |
17086 <param name="use_shape_score" value="true"/> | |
17087 <param name="use_coelution_score" value="true"/> | |
17088 <param name="use_rt_score" value="true"/> | |
17089 <param name="use_library_score" value="true"/> | |
17090 <param name="use_elution_model_score" value="true"/> | |
17091 <param name="use_intensity_score" value="true"/> | |
17092 <param name="use_nr_peaks_score" value="true"/> | |
17093 <param name="use_total_xic_score" value="true"/> | |
17094 <param name="use_total_mi_score" value="false"/> | |
17095 <param name="use_sn_score" value="true"/> | |
17096 <param name="use_mi_score" value="false"/> | |
17097 <param name="use_dia_scores" value="true"/> | |
17098 <param name="use_ms1_correlation" value="false"/> | |
17099 <param name="use_sonar_scores" value="false"/> | |
17100 <param name="use_ion_mobility_scores" value="false"/> | |
17101 <param name="use_ms1_fullscan" value="false"/> | |
17102 <param name="use_ms1_mi" value="false"/> | |
17103 <param name="use_uis_scores" value="false"/> | |
17104 </section> | |
17105 </section> | |
17106 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17107 <output name="ctd_out" ftype="xml"> | |
17108 <assert_contents> | |
17109 <is_valid_xml/> | |
17110 </assert_contents> | |
17111 </output> | |
17112 </test> | |
17113 <test expect_num_outputs="2"> | |
17114 <conditional name="adv_opts_cond"> | |
17115 <param name="adv_opts_selector" value="advanced"/> | |
17116 <param name="force" value="false"/> | |
17117 <param name="test" value="true"/> | |
17118 </conditional> | |
17119 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17120 <param name="tr" value="OpenSwathAnalyzer_mod_input.TraML"/> | |
17121 <output name="out" file="OpenSwathAnalyzer_5_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17122 <param name="no_strict" value="false"/> | |
17123 <param name="swath_files" value="OpenSwathAnalyzer_2_swathfile.mzML"/> | |
17124 <param name="min_upper_edge_dist" value="0.0"/> | |
17125 <section name="model"> | |
17126 <param name="type" value="linear"/> | |
17127 <param name="symmetric_regression" value="false"/> | |
17128 </section> | |
17129 <section name="algorithm"> | |
17130 <param name="stop_report_after_feature" value="-1"/> | |
17131 <param name="rt_extraction_window" value="-1.0"/> | |
17132 <param name="rt_normalization_factor" value="1.0"/> | |
17133 <param name="quantification_cutoff" value="0.0"/> | |
17134 <param name="write_convex_hull" value="false"/> | |
17135 <param name="spectrum_addition_method" value="simple"/> | |
17136 <param name="add_up_spectra" value="1"/> | |
17137 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17138 <param name="uis_threshold_sn" value="-1"/> | |
17139 <param name="uis_threshold_peak_area" value="0"/> | |
17140 <param name="scoring_model" value="default"/> | |
17141 <param name="im_extra_drift" value="0.0"/> | |
17142 <section name="TransitionGroupPicker"> | |
17143 <param name="stop_after_feature" value="-1"/> | |
17144 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17145 <param name="min_peak_width" value="-1.0"/> | |
17146 <param name="peak_integration" value="original"/> | |
17147 <param name="background_subtraction" value="none"/> | |
17148 <param name="recalculate_peaks" value="false"/> | |
17149 <param name="use_precursors" value="false"/> | |
17150 <param name="use_consensus" value="true"/> | |
17151 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17152 <param name="minimal_quality" value="-10000.0"/> | |
17153 <param name="resample_boundary" value="15.0"/> | |
17154 <param name="compute_peak_quality" value="false"/> | |
17155 <param name="compute_peak_shape_metrics" value="false"/> | |
17156 <param name="compute_total_mi" value="false"/> | |
17157 <param name="boundary_selection_method" value="largest"/> | |
17158 <section name="PeakPickerMRM"> | |
17159 <param name="sgolay_frame_length" value="15"/> | |
17160 <param name="sgolay_polynomial_order" value="3"/> | |
17161 <param name="gauss_width" value="50.0"/> | |
17162 <param name="use_gauss" value="true"/> | |
17163 <param name="peak_width" value="40.0"/> | |
17164 <param name="signal_to_noise" value="1.0"/> | |
17165 <param name="sn_win_len" value="1000.0"/> | |
17166 <param name="sn_bin_count" value="30"/> | |
17167 <param name="write_sn_log_messages" value="true"/> | |
17168 <param name="remove_overlapping_peaks" value="false"/> | |
17169 <param name="method" value="legacy"/> | |
17170 </section> | |
17171 <section name="PeakIntegrator"> | |
17172 <param name="integration_type" value="intensity_sum"/> | |
17173 <param name="baseline_type" value="base_to_base"/> | |
17174 <param name="fit_EMG" value="false"/> | |
17175 </section> | |
17176 </section> | |
17177 <section name="DIAScoring"> | |
17178 <param name="dia_extraction_window" value="0.05"/> | |
17179 <param name="dia_extraction_unit" value="Th"/> | |
17180 <param name="dia_centroided" value="false"/> | |
17181 <param name="dia_byseries_intensity_min" value="8.0"/> | |
17182 <param name="dia_byseries_ppm_diff" value="15.0"/> | |
17183 <param name="dia_nr_isotopes" value="4"/> | |
17184 <param name="dia_nr_charges" value="4"/> | |
17185 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17186 </section> | |
17187 <section name="EMGScoring"> | |
17188 <param name="interpolation_step" value="0.2"/> | |
17189 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17190 <param name="max_iteration" value="500"/> | |
17191 <section name="statistics"> | |
17192 <param name="mean" value="1.0"/> | |
17193 <param name="variance" value="1.0"/> | |
17194 </section> | |
17195 </section> | |
17196 <section name="Scores"> | |
17197 <param name="use_shape_score" value="true"/> | |
17198 <param name="use_coelution_score" value="true"/> | |
17199 <param name="use_rt_score" value="true"/> | |
17200 <param name="use_library_score" value="true"/> | |
17201 <param name="use_elution_model_score" value="true"/> | |
17202 <param name="use_intensity_score" value="true"/> | |
17203 <param name="use_nr_peaks_score" value="true"/> | |
17204 <param name="use_total_xic_score" value="true"/> | |
17205 <param name="use_total_mi_score" value="false"/> | |
17206 <param name="use_sn_score" value="true"/> | |
17207 <param name="use_mi_score" value="false"/> | |
17208 <param name="use_dia_scores" value="true"/> | |
17209 <param name="use_ms1_correlation" value="false"/> | |
17210 <param name="use_sonar_scores" value="false"/> | |
17211 <param name="use_ion_mobility_scores" value="false"/> | |
17212 <param name="use_ms1_fullscan" value="false"/> | |
17213 <param name="use_ms1_mi" value="false"/> | |
17214 <param name="use_uis_scores" value="false"/> | |
17215 </section> | |
17216 </section> | |
17217 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17218 <output name="ctd_out" ftype="xml"> | |
17219 <assert_contents> | |
17220 <is_valid_xml/> | |
17221 </assert_contents> | |
17222 </output> | |
17223 </test> | |
17224 <test expect_num_outputs="2"> | |
17225 <conditional name="adv_opts_cond"> | |
17226 <param name="adv_opts_selector" value="advanced"/> | |
17227 <param name="force" value="false"/> | |
17228 <param name="test" value="true"/> | |
17229 </conditional> | |
17230 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17231 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
17232 <output name="out" file="OpenSwathAnalyzer_6_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17233 <param name="no_strict" value="false"/> | |
17234 <param name="swath_files" value="OpenSwathAnalyzer_2_swathfile.mzML"/> | |
17235 <param name="min_upper_edge_dist" value="0.0"/> | |
17236 <section name="model"> | |
17237 <param name="type" value="linear"/> | |
17238 <param name="symmetric_regression" value="false"/> | |
17239 </section> | |
17240 <section name="algorithm"> | |
17241 <param name="stop_report_after_feature" value="-1"/> | |
17242 <param name="rt_extraction_window" value="-1.0"/> | |
17243 <param name="rt_normalization_factor" value="1.0"/> | |
17244 <param name="quantification_cutoff" value="0.0"/> | |
17245 <param name="write_convex_hull" value="false"/> | |
17246 <param name="spectrum_addition_method" value="simple"/> | |
17247 <param name="add_up_spectra" value="1"/> | |
17248 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17249 <param name="uis_threshold_sn" value="-1"/> | |
17250 <param name="uis_threshold_peak_area" value="0"/> | |
17251 <param name="scoring_model" value="default"/> | |
17252 <param name="im_extra_drift" value="0.0"/> | |
17253 <section name="TransitionGroupPicker"> | |
17254 <param name="stop_after_feature" value="-1"/> | |
17255 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17256 <param name="min_peak_width" value="-1.0"/> | |
17257 <param name="peak_integration" value="original"/> | |
17258 <param name="background_subtraction" value="none"/> | |
17259 <param name="recalculate_peaks" value="false"/> | |
17260 <param name="use_precursors" value="false"/> | |
17261 <param name="use_consensus" value="true"/> | |
17262 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17263 <param name="minimal_quality" value="-10000.0"/> | |
17264 <param name="resample_boundary" value="15.0"/> | |
17265 <param name="compute_peak_quality" value="false"/> | |
17266 <param name="compute_peak_shape_metrics" value="false"/> | |
17267 <param name="compute_total_mi" value="false"/> | |
17268 <param name="boundary_selection_method" value="largest"/> | |
17269 <section name="PeakPickerMRM"> | |
17270 <param name="sgolay_frame_length" value="15"/> | |
17271 <param name="sgolay_polynomial_order" value="3"/> | |
17272 <param name="gauss_width" value="50.0"/> | |
17273 <param name="use_gauss" value="true"/> | |
17274 <param name="peak_width" value="40.0"/> | |
17275 <param name="signal_to_noise" value="1.0"/> | |
17276 <param name="sn_win_len" value="1000.0"/> | |
17277 <param name="sn_bin_count" value="30"/> | |
17278 <param name="write_sn_log_messages" value="true"/> | |
17279 <param name="remove_overlapping_peaks" value="false"/> | |
17280 <param name="method" value="legacy"/> | |
17281 </section> | |
17282 <section name="PeakIntegrator"> | |
17283 <param name="integration_type" value="intensity_sum"/> | |
17284 <param name="baseline_type" value="base_to_base"/> | |
17285 <param name="fit_EMG" value="false"/> | |
17286 </section> | |
17287 </section> | |
17288 <section name="DIAScoring"> | |
17289 <param name="dia_extraction_window" value="0.05"/> | |
17290 <param name="dia_extraction_unit" value="Th"/> | |
17291 <param name="dia_centroided" value="false"/> | |
17292 <param name="dia_byseries_intensity_min" value="8.0"/> | |
17293 <param name="dia_byseries_ppm_diff" value="15.0"/> | |
17294 <param name="dia_nr_isotopes" value="4"/> | |
17295 <param name="dia_nr_charges" value="4"/> | |
17296 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17297 </section> | |
17298 <section name="EMGScoring"> | |
17299 <param name="interpolation_step" value="0.2"/> | |
17300 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17301 <param name="max_iteration" value="500"/> | |
17302 <section name="statistics"> | |
17303 <param name="mean" value="1.0"/> | |
17304 <param name="variance" value="1.0"/> | |
17305 </section> | |
17306 </section> | |
17307 <section name="Scores"> | |
17308 <param name="use_shape_score" value="true"/> | |
17309 <param name="use_coelution_score" value="true"/> | |
17310 <param name="use_rt_score" value="true"/> | |
17311 <param name="use_library_score" value="true"/> | |
17312 <param name="use_elution_model_score" value="true"/> | |
17313 <param name="use_intensity_score" value="true"/> | |
17314 <param name="use_nr_peaks_score" value="true"/> | |
17315 <param name="use_total_xic_score" value="true"/> | |
17316 <param name="use_total_mi_score" value="false"/> | |
17317 <param name="use_sn_score" value="true"/> | |
17318 <param name="use_mi_score" value="false"/> | |
17319 <param name="use_dia_scores" value="true"/> | |
17320 <param name="use_ms1_correlation" value="false"/> | |
17321 <param name="use_sonar_scores" value="false"/> | |
17322 <param name="use_ion_mobility_scores" value="false"/> | |
17323 <param name="use_ms1_fullscan" value="false"/> | |
17324 <param name="use_ms1_mi" value="false"/> | |
17325 <param name="use_uis_scores" value="false"/> | |
17326 </section> | |
17327 </section> | |
17328 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17329 <output name="ctd_out" ftype="xml"> | |
17330 <assert_contents> | |
17331 <is_valid_xml/> | |
17332 </assert_contents> | |
17333 </output> | |
17334 </test> | |
17335 <test expect_num_outputs="2"> | |
17336 <conditional name="adv_opts_cond"> | |
17337 <param name="adv_opts_selector" value="advanced"/> | |
17338 <param name="force" value="false"/> | |
17339 <param name="test" value="true"/> | |
17340 </conditional> | |
17341 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17342 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
17343 <output name="out" file="OpenSwathAnalyzer_7_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17344 <param name="no_strict" value="false"/> | |
17345 <param name="min_upper_edge_dist" value="0.0"/> | |
17346 <section name="model"> | |
17347 <param name="type" value="linear"/> | |
17348 <param name="symmetric_regression" value="false"/> | |
17349 </section> | |
17350 <section name="algorithm"> | |
17351 <param name="stop_report_after_feature" value="-1"/> | |
17352 <param name="rt_extraction_window" value="-1.0"/> | |
17353 <param name="rt_normalization_factor" value="1.0"/> | |
17354 <param name="quantification_cutoff" value="0.0"/> | |
17355 <param name="write_convex_hull" value="false"/> | |
17356 <param name="spectrum_addition_method" value="simple"/> | |
17357 <param name="add_up_spectra" value="1"/> | |
17358 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17359 <param name="uis_threshold_sn" value="-1"/> | |
17360 <param name="uis_threshold_peak_area" value="0"/> | |
17361 <param name="scoring_model" value="default"/> | |
17362 <param name="im_extra_drift" value="0.0"/> | |
17363 <section name="TransitionGroupPicker"> | |
17364 <param name="stop_after_feature" value="-1"/> | |
17365 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17366 <param name="min_peak_width" value="-1.0"/> | |
17367 <param name="peak_integration" value="original"/> | |
17368 <param name="background_subtraction" value="original"/> | |
17369 <param name="recalculate_peaks" value="false"/> | |
17370 <param name="use_precursors" value="false"/> | |
17371 <param name="use_consensus" value="true"/> | |
17372 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17373 <param name="minimal_quality" value="-10000.0"/> | |
17374 <param name="resample_boundary" value="15.0"/> | |
17375 <param name="compute_peak_quality" value="false"/> | |
17376 <param name="compute_peak_shape_metrics" value="false"/> | |
17377 <param name="compute_total_mi" value="false"/> | |
17378 <param name="boundary_selection_method" value="largest"/> | |
17379 <section name="PeakPickerMRM"> | |
17380 <param name="sgolay_frame_length" value="15"/> | |
17381 <param name="sgolay_polynomial_order" value="3"/> | |
17382 <param name="gauss_width" value="50.0"/> | |
17383 <param name="use_gauss" value="true"/> | |
17384 <param name="peak_width" value="40.0"/> | |
17385 <param name="signal_to_noise" value="1.0"/> | |
17386 <param name="sn_win_len" value="1000.0"/> | |
17387 <param name="sn_bin_count" value="30"/> | |
17388 <param name="write_sn_log_messages" value="true"/> | |
17389 <param name="remove_overlapping_peaks" value="false"/> | |
17390 <param name="method" value="legacy"/> | |
17391 </section> | |
17392 <section name="PeakIntegrator"> | |
17393 <param name="integration_type" value="intensity_sum"/> | |
17394 <param name="baseline_type" value="base_to_base"/> | |
17395 <param name="fit_EMG" value="false"/> | |
17396 </section> | |
17397 </section> | |
17398 <section name="DIAScoring"> | |
17399 <param name="dia_extraction_window" value="0.05"/> | |
17400 <param name="dia_extraction_unit" value="Th"/> | |
17401 <param name="dia_centroided" value="false"/> | |
17402 <param name="dia_byseries_intensity_min" value="300.0"/> | |
17403 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
17404 <param name="dia_nr_isotopes" value="4"/> | |
17405 <param name="dia_nr_charges" value="4"/> | |
17406 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17407 </section> | |
17408 <section name="EMGScoring"> | |
17409 <param name="interpolation_step" value="0.2"/> | |
17410 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17411 <param name="max_iteration" value="500"/> | |
17412 <section name="statistics"> | |
17413 <param name="mean" value="1.0"/> | |
17414 <param name="variance" value="1.0"/> | |
17415 </section> | |
17416 </section> | |
17417 <section name="Scores"> | |
17418 <param name="use_shape_score" value="true"/> | |
17419 <param name="use_coelution_score" value="true"/> | |
17420 <param name="use_rt_score" value="true"/> | |
17421 <param name="use_library_score" value="true"/> | |
17422 <param name="use_elution_model_score" value="true"/> | |
17423 <param name="use_intensity_score" value="true"/> | |
17424 <param name="use_nr_peaks_score" value="true"/> | |
17425 <param name="use_total_xic_score" value="true"/> | |
17426 <param name="use_total_mi_score" value="false"/> | |
17427 <param name="use_sn_score" value="true"/> | |
17428 <param name="use_mi_score" value="false"/> | |
17429 <param name="use_dia_scores" value="true"/> | |
17430 <param name="use_ms1_correlation" value="false"/> | |
17431 <param name="use_sonar_scores" value="false"/> | |
17432 <param name="use_ion_mobility_scores" value="false"/> | |
17433 <param name="use_ms1_fullscan" value="false"/> | |
17434 <param name="use_ms1_mi" value="false"/> | |
17435 <param name="use_uis_scores" value="false"/> | |
17436 </section> | |
17437 </section> | |
17438 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17439 <output name="ctd_out" ftype="xml"> | |
17440 <assert_contents> | |
17441 <is_valid_xml/> | |
17442 </assert_contents> | |
17443 </output> | |
17444 </test> | |
17445 <test expect_num_outputs="2"> | |
17446 <conditional name="adv_opts_cond"> | |
17447 <param name="adv_opts_selector" value="advanced"/> | |
17448 <param name="force" value="false"/> | |
17449 <param name="test" value="true"/> | |
17450 </conditional> | |
17451 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17452 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
17453 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
17454 <output name="out" file="OpenSwathAnalyzer_8_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17455 <param name="no_strict" value="false"/> | |
17456 <param name="min_upper_edge_dist" value="0.0"/> | |
17457 <section name="model"> | |
17458 <param name="type" value="linear"/> | |
17459 <param name="symmetric_regression" value="false"/> | |
17460 </section> | |
17461 <section name="algorithm"> | |
17462 <param name="stop_report_after_feature" value="-1"/> | |
17463 <param name="rt_extraction_window" value="-1.0"/> | |
17464 <param name="rt_normalization_factor" value="1.0"/> | |
17465 <param name="quantification_cutoff" value="0.0"/> | |
17466 <param name="write_convex_hull" value="false"/> | |
17467 <param name="spectrum_addition_method" value="simple"/> | |
17468 <param name="add_up_spectra" value="1"/> | |
17469 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17470 <param name="uis_threshold_sn" value="-1"/> | |
17471 <param name="uis_threshold_peak_area" value="0"/> | |
17472 <param name="scoring_model" value="default"/> | |
17473 <param name="im_extra_drift" value="0.0"/> | |
17474 <section name="TransitionGroupPicker"> | |
17475 <param name="stop_after_feature" value="-1"/> | |
17476 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17477 <param name="min_peak_width" value="-1.0"/> | |
17478 <param name="peak_integration" value="original"/> | |
17479 <param name="background_subtraction" value="none"/> | |
17480 <param name="recalculate_peaks" value="false"/> | |
17481 <param name="use_precursors" value="false"/> | |
17482 <param name="use_consensus" value="true"/> | |
17483 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17484 <param name="minimal_quality" value="-10000.0"/> | |
17485 <param name="resample_boundary" value="15.0"/> | |
17486 <param name="compute_peak_quality" value="false"/> | |
17487 <param name="compute_peak_shape_metrics" value="false"/> | |
17488 <param name="compute_total_mi" value="false"/> | |
17489 <param name="boundary_selection_method" value="largest"/> | |
17490 <section name="PeakPickerMRM"> | |
17491 <param name="sgolay_frame_length" value="15"/> | |
17492 <param name="sgolay_polynomial_order" value="3"/> | |
17493 <param name="gauss_width" value="50.0"/> | |
17494 <param name="use_gauss" value="true"/> | |
17495 <param name="peak_width" value="40.0"/> | |
17496 <param name="signal_to_noise" value="1.0"/> | |
17497 <param name="sn_win_len" value="1000.0"/> | |
17498 <param name="sn_bin_count" value="30"/> | |
17499 <param name="write_sn_log_messages" value="false"/> | |
17500 <param name="remove_overlapping_peaks" value="false"/> | |
17501 <param name="method" value="legacy"/> | |
17502 </section> | |
17503 <section name="PeakIntegrator"> | |
17504 <param name="integration_type" value="intensity_sum"/> | |
17505 <param name="baseline_type" value="base_to_base"/> | |
17506 <param name="fit_EMG" value="false"/> | |
17507 </section> | |
17508 </section> | |
17509 <section name="DIAScoring"> | |
17510 <param name="dia_extraction_window" value="0.05"/> | |
17511 <param name="dia_extraction_unit" value="Th"/> | |
17512 <param name="dia_centroided" value="false"/> | |
17513 <param name="dia_byseries_intensity_min" value="300.0"/> | |
17514 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
17515 <param name="dia_nr_isotopes" value="4"/> | |
17516 <param name="dia_nr_charges" value="4"/> | |
17517 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17518 </section> | |
17519 <section name="EMGScoring"> | |
17520 <param name="interpolation_step" value="0.2"/> | |
17521 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17522 <param name="max_iteration" value="500"/> | |
17523 <section name="statistics"> | |
17524 <param name="mean" value="1.0"/> | |
17525 <param name="variance" value="1.0"/> | |
17526 </section> | |
17527 </section> | |
17528 <section name="Scores"> | |
17529 <param name="use_shape_score" value="true"/> | |
17530 <param name="use_coelution_score" value="true"/> | |
17531 <param name="use_rt_score" value="true"/> | |
17532 <param name="use_library_score" value="true"/> | |
17533 <param name="use_elution_model_score" value="true"/> | |
17534 <param name="use_intensity_score" value="true"/> | |
17535 <param name="use_nr_peaks_score" value="true"/> | |
17536 <param name="use_total_xic_score" value="true"/> | |
17537 <param name="use_total_mi_score" value="true"/> | |
17538 <param name="use_sn_score" value="true"/> | |
17539 <param name="use_mi_score" value="true"/> | |
17540 <param name="use_dia_scores" value="true"/> | |
17541 <param name="use_ms1_correlation" value="false"/> | |
17542 <param name="use_sonar_scores" value="false"/> | |
17543 <param name="use_ion_mobility_scores" value="false"/> | |
17544 <param name="use_ms1_fullscan" value="false"/> | |
17545 <param name="use_ms1_mi" value="true"/> | |
17546 <param name="use_uis_scores" value="false"/> | |
17547 </section> | |
17548 </section> | |
17549 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17550 <output name="ctd_out" ftype="xml"> | |
17551 <assert_contents> | |
17552 <is_valid_xml/> | |
17553 </assert_contents> | |
17554 </output> | |
17555 </test> | |
17556 <test expect_num_outputs="2"> | |
17557 <conditional name="adv_opts_cond"> | |
17558 <param name="adv_opts_selector" value="advanced"/> | |
17559 <param name="force" value="false"/> | |
17560 <param name="test" value="true"/> | |
17561 </conditional> | |
17562 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17563 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
17564 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
17565 <output name="out" file="OpenSwathAnalyzer_9_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17566 <param name="no_strict" value="false"/> | |
17567 <param name="min_upper_edge_dist" value="0.0"/> | |
17568 <section name="model"> | |
17569 <param name="type" value="linear"/> | |
17570 <param name="symmetric_regression" value="false"/> | |
17571 </section> | |
17572 <section name="algorithm"> | |
17573 <param name="stop_report_after_feature" value="-1"/> | |
17574 <param name="rt_extraction_window" value="-1.0"/> | |
17575 <param name="rt_normalization_factor" value="1.0"/> | |
17576 <param name="quantification_cutoff" value="0.0"/> | |
17577 <param name="write_convex_hull" value="false"/> | |
17578 <param name="spectrum_addition_method" value="simple"/> | |
17579 <param name="add_up_spectra" value="1"/> | |
17580 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17581 <param name="uis_threshold_sn" value="-1"/> | |
17582 <param name="uis_threshold_peak_area" value="0"/> | |
17583 <param name="scoring_model" value="default"/> | |
17584 <param name="im_extra_drift" value="0.0"/> | |
17585 <section name="TransitionGroupPicker"> | |
17586 <param name="stop_after_feature" value="-1"/> | |
17587 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17588 <param name="min_peak_width" value="-1.0"/> | |
17589 <param name="peak_integration" value="original"/> | |
17590 <param name="background_subtraction" value="none"/> | |
17591 <param name="recalculate_peaks" value="false"/> | |
17592 <param name="use_precursors" value="false"/> | |
17593 <param name="use_consensus" value="true"/> | |
17594 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17595 <param name="minimal_quality" value="-10000.0"/> | |
17596 <param name="resample_boundary" value="15.0"/> | |
17597 <param name="compute_peak_quality" value="false"/> | |
17598 <param name="compute_peak_shape_metrics" value="false"/> | |
17599 <param name="compute_total_mi" value="false"/> | |
17600 <param name="boundary_selection_method" value="largest"/> | |
17601 <section name="PeakPickerMRM"> | |
17602 <param name="sgolay_frame_length" value="15"/> | |
17603 <param name="sgolay_polynomial_order" value="3"/> | |
17604 <param name="gauss_width" value="50.0"/> | |
17605 <param name="use_gauss" value="true"/> | |
17606 <param name="peak_width" value="40.0"/> | |
17607 <param name="signal_to_noise" value="1.0"/> | |
17608 <param name="sn_win_len" value="1000.0"/> | |
17609 <param name="sn_bin_count" value="30"/> | |
17610 <param name="write_sn_log_messages" value="false"/> | |
17611 <param name="remove_overlapping_peaks" value="false"/> | |
17612 <param name="method" value="legacy"/> | |
17613 </section> | |
17614 <section name="PeakIntegrator"> | |
17615 <param name="integration_type" value="intensity_sum"/> | |
17616 <param name="baseline_type" value="base_to_base"/> | |
17617 <param name="fit_EMG" value="false"/> | |
17618 </section> | |
17619 </section> | |
17620 <section name="DIAScoring"> | |
17621 <param name="dia_extraction_window" value="0.05"/> | |
17622 <param name="dia_extraction_unit" value="Th"/> | |
17623 <param name="dia_centroided" value="false"/> | |
17624 <param name="dia_byseries_intensity_min" value="300.0"/> | |
17625 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
17626 <param name="dia_nr_isotopes" value="4"/> | |
17627 <param name="dia_nr_charges" value="4"/> | |
17628 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17629 </section> | |
17630 <section name="EMGScoring"> | |
17631 <param name="interpolation_step" value="0.2"/> | |
17632 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17633 <param name="max_iteration" value="500"/> | |
17634 <section name="statistics"> | |
17635 <param name="mean" value="1.0"/> | |
17636 <param name="variance" value="1.0"/> | |
17637 </section> | |
17638 </section> | |
17639 <section name="Scores"> | |
17640 <param name="use_shape_score" value="true"/> | |
17641 <param name="use_coelution_score" value="true"/> | |
17642 <param name="use_rt_score" value="true"/> | |
17643 <param name="use_library_score" value="true"/> | |
17644 <param name="use_elution_model_score" value="true"/> | |
17645 <param name="use_intensity_score" value="true"/> | |
17646 <param name="use_nr_peaks_score" value="true"/> | |
17647 <param name="use_total_xic_score" value="true"/> | |
17648 <param name="use_total_mi_score" value="false"/> | |
17649 <param name="use_sn_score" value="true"/> | |
17650 <param name="use_mi_score" value="true"/> | |
17651 <param name="use_dia_scores" value="true"/> | |
17652 <param name="use_ms1_correlation" value="false"/> | |
17653 <param name="use_sonar_scores" value="false"/> | |
17654 <param name="use_ion_mobility_scores" value="false"/> | |
17655 <param name="use_ms1_fullscan" value="false"/> | |
17656 <param name="use_ms1_mi" value="false"/> | |
17657 <param name="use_uis_scores" value="false"/> | |
17658 </section> | |
17659 </section> | |
17660 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17661 <output name="ctd_out" ftype="xml"> | |
17662 <assert_contents> | |
17663 <is_valid_xml/> | |
17664 </assert_contents> | |
17665 </output> | |
17666 </test> | |
17667 <test expect_num_outputs="2"> | |
17668 <conditional name="adv_opts_cond"> | |
17669 <param name="adv_opts_selector" value="advanced"/> | |
17670 <param name="force" value="false"/> | |
17671 <param name="test" value="true"/> | |
17672 </conditional> | |
17673 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17674 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
17675 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
17676 <output name="out" file="OpenSwathAnalyzer_10_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17677 <param name="no_strict" value="false"/> | |
17678 <param name="min_upper_edge_dist" value="0.0"/> | |
17679 <section name="model"> | |
17680 <param name="type" value="linear"/> | |
17681 <param name="symmetric_regression" value="false"/> | |
17682 </section> | |
17683 <section name="algorithm"> | |
17684 <param name="stop_report_after_feature" value="-1"/> | |
17685 <param name="rt_extraction_window" value="-1.0"/> | |
17686 <param name="rt_normalization_factor" value="1.0"/> | |
17687 <param name="quantification_cutoff" value="0.0"/> | |
17688 <param name="write_convex_hull" value="false"/> | |
17689 <param name="spectrum_addition_method" value="simple"/> | |
17690 <param name="add_up_spectra" value="1"/> | |
17691 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17692 <param name="uis_threshold_sn" value="-1"/> | |
17693 <param name="uis_threshold_peak_area" value="0"/> | |
17694 <param name="scoring_model" value="default"/> | |
17695 <param name="im_extra_drift" value="0.0"/> | |
17696 <section name="TransitionGroupPicker"> | |
17697 <param name="stop_after_feature" value="-1"/> | |
17698 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17699 <param name="min_peak_width" value="-1.0"/> | |
17700 <param name="peak_integration" value="original"/> | |
17701 <param name="background_subtraction" value="none"/> | |
17702 <param name="recalculate_peaks" value="false"/> | |
17703 <param name="use_precursors" value="false"/> | |
17704 <param name="use_consensus" value="true"/> | |
17705 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17706 <param name="minimal_quality" value="-10000.0"/> | |
17707 <param name="resample_boundary" value="15.0"/> | |
17708 <param name="compute_peak_quality" value="false"/> | |
17709 <param name="compute_peak_shape_metrics" value="false"/> | |
17710 <param name="compute_total_mi" value="false"/> | |
17711 <param name="boundary_selection_method" value="largest"/> | |
17712 <section name="PeakPickerMRM"> | |
17713 <param name="sgolay_frame_length" value="15"/> | |
17714 <param name="sgolay_polynomial_order" value="3"/> | |
17715 <param name="gauss_width" value="50.0"/> | |
17716 <param name="use_gauss" value="true"/> | |
17717 <param name="peak_width" value="40.0"/> | |
17718 <param name="signal_to_noise" value="1.0"/> | |
17719 <param name="sn_win_len" value="1000.0"/> | |
17720 <param name="sn_bin_count" value="30"/> | |
17721 <param name="write_sn_log_messages" value="false"/> | |
17722 <param name="remove_overlapping_peaks" value="false"/> | |
17723 <param name="method" value="legacy"/> | |
17724 </section> | |
17725 <section name="PeakIntegrator"> | |
17726 <param name="integration_type" value="intensity_sum"/> | |
17727 <param name="baseline_type" value="base_to_base"/> | |
17728 <param name="fit_EMG" value="false"/> | |
17729 </section> | |
17730 </section> | |
17731 <section name="DIAScoring"> | |
17732 <param name="dia_extraction_window" value="0.05"/> | |
17733 <param name="dia_extraction_unit" value="Th"/> | |
17734 <param name="dia_centroided" value="false"/> | |
17735 <param name="dia_byseries_intensity_min" value="300.0"/> | |
17736 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
17737 <param name="dia_nr_isotopes" value="4"/> | |
17738 <param name="dia_nr_charges" value="4"/> | |
17739 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17740 </section> | |
17741 <section name="EMGScoring"> | |
17742 <param name="interpolation_step" value="0.2"/> | |
17743 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17744 <param name="max_iteration" value="500"/> | |
17745 <section name="statistics"> | |
17746 <param name="mean" value="1.0"/> | |
17747 <param name="variance" value="1.0"/> | |
17748 </section> | |
17749 </section> | |
17750 <section name="Scores"> | |
17751 <param name="use_shape_score" value="true"/> | |
17752 <param name="use_coelution_score" value="true"/> | |
17753 <param name="use_rt_score" value="true"/> | |
17754 <param name="use_library_score" value="true"/> | |
17755 <param name="use_elution_model_score" value="true"/> | |
17756 <param name="use_intensity_score" value="true"/> | |
17757 <param name="use_nr_peaks_score" value="true"/> | |
17758 <param name="use_total_xic_score" value="true"/> | |
17759 <param name="use_total_mi_score" value="true"/> | |
17760 <param name="use_sn_score" value="true"/> | |
17761 <param name="use_mi_score" value="true"/> | |
17762 <param name="use_dia_scores" value="true"/> | |
17763 <param name="use_ms1_correlation" value="false"/> | |
17764 <param name="use_sonar_scores" value="false"/> | |
17765 <param name="use_ion_mobility_scores" value="false"/> | |
17766 <param name="use_ms1_fullscan" value="false"/> | |
17767 <param name="use_ms1_mi" value="false"/> | |
17768 <param name="use_uis_scores" value="false"/> | |
17769 </section> | |
17770 </section> | |
17771 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17772 <output name="ctd_out" ftype="xml"> | |
17773 <assert_contents> | |
17774 <is_valid_xml/> | |
17775 </assert_contents> | |
17776 </output> | |
17777 </test> | |
17778 <test expect_num_outputs="2"> | |
17779 <conditional name="adv_opts_cond"> | |
17780 <param name="adv_opts_selector" value="advanced"/> | |
17781 <param name="force" value="false"/> | |
17782 <param name="test" value="true"/> | |
17783 </conditional> | |
17784 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
17785 <param name="tr" value="OpenSwathAnalyzer_1_input.TraML"/> | |
17786 <param name="rt_norm" value="OpenSwathAnalyzer_input.trafoXML"/> | |
17787 <output name="out" file="OpenSwathAnalyzer_11_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
17788 <param name="no_strict" value="false"/> | |
17789 <param name="min_upper_edge_dist" value="0.0"/> | |
17790 <section name="model"> | |
17791 <param name="type" value="linear"/> | |
17792 <param name="symmetric_regression" value="false"/> | |
17793 </section> | |
17794 <section name="algorithm"> | |
17795 <param name="stop_report_after_feature" value="-1"/> | |
17796 <param name="rt_extraction_window" value="-1.0"/> | |
17797 <param name="rt_normalization_factor" value="1.0"/> | |
17798 <param name="quantification_cutoff" value="0.0"/> | |
17799 <param name="write_convex_hull" value="false"/> | |
17800 <param name="spectrum_addition_method" value="simple"/> | |
17801 <param name="add_up_spectra" value="1"/> | |
17802 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
17803 <param name="uis_threshold_sn" value="-1"/> | |
17804 <param name="uis_threshold_peak_area" value="0"/> | |
17805 <param name="scoring_model" value="default"/> | |
17806 <param name="im_extra_drift" value="0.0"/> | |
17807 <section name="TransitionGroupPicker"> | |
17808 <param name="stop_after_feature" value="-1"/> | |
17809 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
17810 <param name="min_peak_width" value="-1.0"/> | |
17811 <param name="peak_integration" value="original"/> | |
17812 <param name="background_subtraction" value="none"/> | |
17813 <param name="recalculate_peaks" value="false"/> | |
17814 <param name="use_precursors" value="false"/> | |
17815 <param name="use_consensus" value="true"/> | |
17816 <param name="recalculate_peaks_max_z" value="1.0"/> | |
17817 <param name="minimal_quality" value="-10000.0"/> | |
17818 <param name="resample_boundary" value="15.0"/> | |
17819 <param name="compute_peak_quality" value="false"/> | |
17820 <param name="compute_peak_shape_metrics" value="false"/> | |
17821 <param name="compute_total_mi" value="false"/> | |
17822 <param name="boundary_selection_method" value="largest"/> | |
17823 <section name="PeakPickerMRM"> | |
17824 <param name="sgolay_frame_length" value="15"/> | |
17825 <param name="sgolay_polynomial_order" value="3"/> | |
17826 <param name="gauss_width" value="50.0"/> | |
17827 <param name="use_gauss" value="true"/> | |
17828 <param name="peak_width" value="40.0"/> | |
17829 <param name="signal_to_noise" value="1.0"/> | |
17830 <param name="sn_win_len" value="1000.0"/> | |
17831 <param name="sn_bin_count" value="30"/> | |
17832 <param name="write_sn_log_messages" value="false"/> | |
17833 <param name="remove_overlapping_peaks" value="false"/> | |
17834 <param name="method" value="legacy"/> | |
17835 </section> | |
17836 <section name="PeakIntegrator"> | |
17837 <param name="integration_type" value="intensity_sum"/> | |
17838 <param name="baseline_type" value="base_to_base"/> | |
17839 <param name="fit_EMG" value="false"/> | |
17840 </section> | |
17841 </section> | |
17842 <section name="DIAScoring"> | |
17843 <param name="dia_extraction_window" value="0.05"/> | |
17844 <param name="dia_extraction_unit" value="Th"/> | |
17845 <param name="dia_centroided" value="false"/> | |
17846 <param name="dia_byseries_intensity_min" value="300.0"/> | |
17847 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
17848 <param name="dia_nr_isotopes" value="4"/> | |
17849 <param name="dia_nr_charges" value="4"/> | |
17850 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
17851 </section> | |
17852 <section name="EMGScoring"> | |
17853 <param name="interpolation_step" value="0.2"/> | |
17854 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
17855 <param name="max_iteration" value="500"/> | |
17856 <section name="statistics"> | |
17857 <param name="mean" value="1.0"/> | |
17858 <param name="variance" value="1.0"/> | |
17859 </section> | |
17860 </section> | |
17861 <section name="Scores"> | |
17862 <param name="use_shape_score" value="true"/> | |
17863 <param name="use_coelution_score" value="true"/> | |
17864 <param name="use_rt_score" value="true"/> | |
17865 <param name="use_library_score" value="true"/> | |
17866 <param name="use_elution_model_score" value="true"/> | |
17867 <param name="use_intensity_score" value="true"/> | |
17868 <param name="use_nr_peaks_score" value="true"/> | |
17869 <param name="use_total_xic_score" value="true"/> | |
17870 <param name="use_total_mi_score" value="true"/> | |
17871 <param name="use_sn_score" value="true"/> | |
17872 <param name="use_mi_score" value="false"/> | |
17873 <param name="use_dia_scores" value="true"/> | |
17874 <param name="use_ms1_correlation" value="false"/> | |
17875 <param name="use_sonar_scores" value="false"/> | |
17876 <param name="use_ion_mobility_scores" value="false"/> | |
17877 <param name="use_ms1_fullscan" value="false"/> | |
17878 <param name="use_ms1_mi" value="false"/> | |
17879 <param name="use_uis_scores" value="false"/> | |
17880 </section> | |
17881 </section> | |
17882 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17883 <output name="ctd_out" ftype="xml"> | |
17884 <assert_contents> | |
17885 <is_valid_xml/> | |
17886 </assert_contents> | |
17887 </output> | |
17888 </test> | |
17889 </xml> | |
17890 <xml name="autotest_OpenSwathAssayGenerator"> | |
17891 <test expect_num_outputs="2"> | |
17892 <conditional name="adv_opts_cond"> | |
17893 <param name="adv_opts_selector" value="advanced"/> | |
17894 <param name="max_num_alternative_localizations" value="10000"/> | |
17895 <param name="disable_identification_ms2_precursors" value="false"/> | |
17896 <param name="disable_identification_specific_losses" value="false"/> | |
17897 <param name="enable_identification_unspecific_losses" value="false"/> | |
17898 <param name="enable_swath_specifity" value="false"/> | |
17899 <param name="force" value="false"/> | |
17900 <param name="test" value="true"/> | |
17901 </conditional> | |
17902 <param name="in" value="OpenSwathAssayGenerator_input.TraML"/> | |
17903 <output name="out" file="OpenSwathAssayGenerator_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
17904 <param name="out_type" value="TraML"/> | |
17905 <param name="min_transitions" value="6"/> | |
17906 <param name="max_transitions" value="6"/> | |
17907 <param name="allowed_fragment_types" value="b,y"/> | |
17908 <param name="allowed_fragment_charges" value="2,3"/> | |
17909 <param name="enable_detection_specific_losses" value="true"/> | |
17910 <param name="enable_detection_unspecific_losses" value="false"/> | |
17911 <param name="precursor_mz_threshold" value="0.025"/> | |
17912 <param name="precursor_lower_mz_limit" value="400.0"/> | |
17913 <param name="precursor_upper_mz_limit" value="1200.0"/> | |
17914 <param name="product_mz_threshold" value="0.025"/> | |
17915 <param name="product_lower_mz_limit" value="350.0"/> | |
17916 <param name="product_upper_mz_limit" value="2000.0"/> | |
17917 <param name="enable_ipf" value="false"/> | |
17918 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17919 <output name="ctd_out" ftype="xml"> | |
17920 <assert_contents> | |
17921 <is_valid_xml/> | |
17922 </assert_contents> | |
17923 </output> | |
17924 </test> | |
17925 <test expect_num_outputs="2"> | |
17926 <conditional name="adv_opts_cond"> | |
17927 <param name="adv_opts_selector" value="advanced"/> | |
17928 <param name="max_num_alternative_localizations" value="10000"/> | |
17929 <param name="disable_identification_ms2_precursors" value="false"/> | |
17930 <param name="disable_identification_specific_losses" value="false"/> | |
17931 <param name="enable_identification_unspecific_losses" value="false"/> | |
17932 <param name="enable_swath_specifity" value="false"/> | |
17933 <param name="force" value="false"/> | |
17934 <param name="test" value="true"/> | |
17935 </conditional> | |
17936 <param name="in" value="OpenSwathAssayGenerator_input_2.TraML"/> | |
17937 <output name="out" file="OpenSwathAssayGenerator_output_2.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
17938 <param name="out_type" value="TraML"/> | |
17939 <param name="min_transitions" value="6"/> | |
17940 <param name="max_transitions" value="6"/> | |
17941 <param name="allowed_fragment_types" value="b,y"/> | |
17942 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
17943 <param name="enable_detection_specific_losses" value="false"/> | |
17944 <param name="enable_detection_unspecific_losses" value="false"/> | |
17945 <param name="precursor_mz_threshold" value="0.025"/> | |
17946 <param name="precursor_lower_mz_limit" value="400.0"/> | |
17947 <param name="precursor_upper_mz_limit" value="1200.0"/> | |
17948 <param name="product_mz_threshold" value="0.025"/> | |
17949 <param name="product_lower_mz_limit" value="350.0"/> | |
17950 <param name="product_upper_mz_limit" value="2000.0"/> | |
17951 <param name="unimod_file" value="OpenSwathAssayGenerator_input_2_unimod.xml"/> | |
17952 <param name="enable_ipf" value="true"/> | |
17953 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17954 <output name="ctd_out" ftype="xml"> | |
17955 <assert_contents> | |
17956 <is_valid_xml/> | |
17957 </assert_contents> | |
17958 </output> | |
17959 </test> | |
17960 <test expect_num_outputs="2"> | |
17961 <conditional name="adv_opts_cond"> | |
17962 <param name="adv_opts_selector" value="advanced"/> | |
17963 <param name="max_num_alternative_localizations" value="10000"/> | |
17964 <param name="disable_identification_ms2_precursors" value="false"/> | |
17965 <param name="disable_identification_specific_losses" value="false"/> | |
17966 <param name="enable_identification_unspecific_losses" value="false"/> | |
17967 <param name="enable_swath_specifity" value="false"/> | |
17968 <param name="force" value="false"/> | |
17969 <param name="test" value="true"/> | |
17970 </conditional> | |
17971 <param name="in" value="OpenSwathAssayGenerator_input_2.TraML"/> | |
17972 <output name="out" file="OpenSwathAssayGenerator_output_3.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
17973 <param name="out_type" value="TraML"/> | |
17974 <param name="min_transitions" value="6"/> | |
17975 <param name="max_transitions" value="6"/> | |
17976 <param name="allowed_fragment_types" value="b,y"/> | |
17977 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
17978 <param name="enable_detection_specific_losses" value="false"/> | |
17979 <param name="enable_detection_unspecific_losses" value="false"/> | |
17980 <param name="precursor_mz_threshold" value="0.025"/> | |
17981 <param name="precursor_lower_mz_limit" value="400.0"/> | |
17982 <param name="precursor_upper_mz_limit" value="1200.0"/> | |
17983 <param name="product_mz_threshold" value="0.025"/> | |
17984 <param name="product_lower_mz_limit" value="350.0"/> | |
17985 <param name="product_upper_mz_limit" value="2000.0"/> | |
17986 <param name="unimod_file" value="OpenSwathAssayGenerator_input_3_unimod.xml"/> | |
17987 <param name="enable_ipf" value="true"/> | |
17988 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
17989 <output name="ctd_out" ftype="xml"> | |
17990 <assert_contents> | |
17991 <is_valid_xml/> | |
17992 </assert_contents> | |
17993 </output> | |
17994 </test> | |
17995 </xml> | |
17996 <xml name="autotest_OpenSwathChromatogramExtractor"> | |
17997 <test expect_num_outputs="2"> | |
17998 <conditional name="adv_opts_cond"> | |
17999 <param name="adv_opts_selector" value="advanced"/> | |
18000 <param name="extraction_function" value="tophat"/> | |
18001 <param name="force" value="false"/> | |
18002 <param name="test" value="true"/> | |
18003 </conditional> | |
18004 <param name="in" value="OpenSwathChromatogramExtractor_input.mzML"/> | |
18005 <param name="tr" value="OpenSwathChromatogramExtractor_input.TraML"/> | |
18006 <output name="out" file="OpenSwathChromatogramExtractor_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18007 <param name="min_upper_edge_dist" value="0.0"/> | |
18008 <param name="rt_window" value="-1.0"/> | |
18009 <param name="ion_mobility_window" value="-1.0"/> | |
18010 <param name="mz_window" value="0.05"/> | |
18011 <param name="ppm" value="false"/> | |
18012 <param name="is_swath" value="false"/> | |
18013 <param name="extract_MS1" value="false"/> | |
18014 <section name="model"> | |
18015 <param name="type" value="linear"/> | |
18016 <param name="symmetric_regression" value="false"/> | |
18017 </section> | |
18018 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18019 <output name="ctd_out" ftype="xml"> | |
18020 <assert_contents> | |
18021 <is_valid_xml/> | |
18022 </assert_contents> | |
18023 </output> | |
18024 </test> | |
18025 <test expect_num_outputs="2"> | |
18026 <conditional name="adv_opts_cond"> | |
18027 <param name="adv_opts_selector" value="advanced"/> | |
18028 <param name="extraction_function" value="tophat"/> | |
18029 <param name="force" value="false"/> | |
18030 <param name="test" value="true"/> | |
18031 </conditional> | |
18032 <param name="in" value="OpenSwathChromatogramExtractor_input.mzML"/> | |
18033 <param name="tr" value="OpenSwathChromatogramExtractor_input.TraML"/> | |
18034 <param name="rt_norm" value="OpenSwathChromatogramExtractor_input.trafoXML"/> | |
18035 <output name="out" file="OpenSwathChromatogramExtractor_output_2.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18036 <param name="min_upper_edge_dist" value="0.0"/> | |
18037 <param name="rt_window" value="50.0"/> | |
18038 <param name="ion_mobility_window" value="-1.0"/> | |
18039 <param name="mz_window" value="0.05"/> | |
18040 <param name="ppm" value="false"/> | |
18041 <param name="is_swath" value="false"/> | |
18042 <param name="extract_MS1" value="false"/> | |
18043 <section name="model"> | |
18044 <param name="type" value="linear"/> | |
18045 <param name="symmetric_regression" value="false"/> | |
18046 </section> | |
18047 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18048 <output name="ctd_out" ftype="xml"> | |
18049 <assert_contents> | |
18050 <is_valid_xml/> | |
18051 </assert_contents> | |
18052 </output> | |
18053 </test> | |
18054 <test expect_num_outputs="2"> | |
18055 <conditional name="adv_opts_cond"> | |
18056 <param name="adv_opts_selector" value="advanced"/> | |
18057 <param name="extraction_function" value="tophat"/> | |
18058 <param name="force" value="false"/> | |
18059 <param name="test" value="true"/> | |
18060 </conditional> | |
18061 <param name="in" value="OpenSwathChromatogramExtractor_input.mzML"/> | |
18062 <param name="tr" value="OpenSwathChromatogramExtractor_input.TraML"/> | |
18063 <output name="out" file="OpenSwathChromatogramExtractor_output_3.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18064 <param name="min_upper_edge_dist" value="0.0"/> | |
18065 <param name="rt_window" value="-1.0"/> | |
18066 <param name="ion_mobility_window" value="-1.0"/> | |
18067 <param name="mz_window" value="0.05"/> | |
18068 <param name="ppm" value="false"/> | |
18069 <param name="is_swath" value="false"/> | |
18070 <param name="extract_MS1" value="true"/> | |
18071 <section name="model"> | |
18072 <param name="type" value="linear"/> | |
18073 <param name="symmetric_regression" value="false"/> | |
18074 </section> | |
18075 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18076 <output name="ctd_out" ftype="xml"> | |
18077 <assert_contents> | |
18078 <is_valid_xml/> | |
18079 </assert_contents> | |
18080 </output> | |
18081 </test> | |
18082 <test expect_num_outputs="2"> | |
18083 <conditional name="adv_opts_cond"> | |
18084 <param name="adv_opts_selector" value="advanced"/> | |
18085 <param name="extraction_function" value="tophat"/> | |
18086 <param name="force" value="false"/> | |
18087 <param name="test" value="true"/> | |
18088 </conditional> | |
18089 <param name="in" value="OpenSwathChromatogramExtractor_4_input.mzML"/> | |
18090 <param name="tr" value="OpenSwathChromatogramExtractor_4_input.TraML"/> | |
18091 <output name="out" file="OpenSwathChromatogramExtractor_4_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18092 <param name="min_upper_edge_dist" value="0.0"/> | |
18093 <param name="rt_window" value="-1.0"/> | |
18094 <param name="ion_mobility_window" value="0.05"/> | |
18095 <param name="mz_window" value="0.05"/> | |
18096 <param name="ppm" value="false"/> | |
18097 <param name="is_swath" value="true"/> | |
18098 <param name="extract_MS1" value="false"/> | |
18099 <section name="model"> | |
18100 <param name="type" value="linear"/> | |
18101 <param name="symmetric_regression" value="false"/> | |
18102 </section> | |
18103 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18104 <output name="ctd_out" ftype="xml"> | |
18105 <assert_contents> | |
18106 <is_valid_xml/> | |
18107 </assert_contents> | |
18108 </output> | |
18109 </test> | |
18110 <test expect_num_outputs="2"> | |
18111 <conditional name="adv_opts_cond"> | |
18112 <param name="adv_opts_selector" value="advanced"/> | |
18113 <param name="extraction_function" value="tophat"/> | |
18114 <param name="force" value="false"/> | |
18115 <param name="test" value="true"/> | |
18116 </conditional> | |
18117 <param name="in" value="OpenSwathChromatogramExtractor_input.mzML"/> | |
18118 <param name="tr" value="OpenSwathChromatogramExtractor_5_input.TraML"/> | |
18119 <output name="out" file="OpenSwathChromatogramExtractor_5_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18120 <param name="min_upper_edge_dist" value="0.0"/> | |
18121 <param name="rt_window" value="-1.0"/> | |
18122 <param name="ion_mobility_window" value="-1.0"/> | |
18123 <param name="mz_window" value="0.05"/> | |
18124 <param name="ppm" value="false"/> | |
18125 <param name="is_swath" value="false"/> | |
18126 <param name="extract_MS1" value="true"/> | |
18127 <section name="model"> | |
18128 <param name="type" value="linear"/> | |
18129 <param name="symmetric_regression" value="false"/> | |
18130 </section> | |
18131 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18132 <output name="ctd_out" ftype="xml"> | |
18133 <assert_contents> | |
18134 <is_valid_xml/> | |
18135 </assert_contents> | |
18136 </output> | |
18137 </test> | |
18138 </xml> | |
18139 <xml name="autotest_OpenSwathConfidenceScoring"> | |
18140 <test expect_num_outputs="2"> | |
18141 <conditional name="adv_opts_cond"> | |
18142 <param name="adv_opts_selector" value="advanced"/> | |
18143 <param name="force" value="false"/> | |
18144 <param name="test" value="true"/> | |
18145 </conditional> | |
18146 <param name="in" value="OpenSwathFeatureXMLToTSV_input.featureXML"/> | |
18147 <param name="lib" value="OpenSwathFeatureXMLToTSV_input.TraML"/> | |
18148 <output name="out" file="OpenSwathConfidenceScoring_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
18149 <param name="trafo" value="OpenSwathConfidenceScoring_1_input.trafoXML"/> | |
18150 <param name="decoys" value="1"/> | |
18151 <param name="transitions" value="2"/> | |
18152 <section name="GLM"> | |
18153 <param name="intercept" value="3.87333466"/> | |
18154 <param name="delta_rt" value="-0.02898629"/> | |
18155 <param name="dist_int" value="-7.75880768"/> | |
18156 </section> | |
18157 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18158 <output name="ctd_out" ftype="xml"> | |
18159 <assert_contents> | |
18160 <is_valid_xml/> | |
18161 </assert_contents> | |
18162 </output> | |
18163 </test> | |
18164 </xml> | |
18165 <xml name="autotest_OpenSwathDecoyGenerator"> | |
18166 <test expect_num_outputs="2"> | |
18167 <conditional name="adv_opts_cond"> | |
18168 <param name="adv_opts_selector" value="advanced"/> | |
18169 <param name="min_decoy_fraction" value="0.8"/> | |
18170 <param name="aim_decoy_fraction" value="1.0"/> | |
18171 <param name="shuffle_max_attempts" value="30"/> | |
18172 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
18173 <param name="shift_precursor_mz_shift" value="0.0"/> | |
18174 <param name="shift_product_mz_shift" value="20.0"/> | |
18175 <param name="product_mz_threshold" value="0.025"/> | |
18176 <param name="allowed_fragment_types" value="b,y"/> | |
18177 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
18178 <param name="enable_detection_specific_losses" value="false"/> | |
18179 <param name="enable_detection_unspecific_losses" value="false"/> | |
18180 <param name="separate" value="true"/> | |
18181 <param name="force" value="false"/> | |
18182 <param name="test" value="true"/> | |
18183 </conditional> | |
18184 <param name="in" value="OpenSwathDecoyGenerator_input.TraML"/> | |
18185 <output name="out" file="OpenSwathDecoyGenerator_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
18186 <param name="out_type" value="TraML"/> | |
18187 <param name="method" value="pseudo-reverse"/> | |
18188 <param name="decoy_tag" value="DECOY_"/> | |
18189 <param name="switchKR" value="false"/> | |
18190 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18191 <output name="ctd_out" ftype="xml"> | |
18192 <assert_contents> | |
18193 <is_valid_xml/> | |
18194 </assert_contents> | |
18195 </output> | |
18196 </test> | |
18197 <test expect_num_outputs="2"> | |
18198 <conditional name="adv_opts_cond"> | |
18199 <param name="adv_opts_selector" value="advanced"/> | |
18200 <param name="min_decoy_fraction" value="0.8"/> | |
18201 <param name="aim_decoy_fraction" value="1.0"/> | |
18202 <param name="shuffle_max_attempts" value="30"/> | |
18203 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
18204 <param name="shift_precursor_mz_shift" value="0.0"/> | |
18205 <param name="shift_product_mz_shift" value="20.0"/> | |
18206 <param name="product_mz_threshold" value="0.8"/> | |
18207 <param name="allowed_fragment_types" value="b,y"/> | |
18208 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
18209 <param name="enable_detection_specific_losses" value="false"/> | |
18210 <param name="enable_detection_unspecific_losses" value="false"/> | |
18211 <param name="separate" value="false"/> | |
18212 <param name="force" value="false"/> | |
18213 <param name="test" value="true"/> | |
18214 </conditional> | |
18215 <param name="in" value="OpenSwathDecoyGenerator_input_2.TraML"/> | |
18216 <output name="out" file="OpenSwathDecoyGenerator_output_2.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
18217 <param name="out_type" value="TraML"/> | |
18218 <param name="method" value="pseudo-reverse"/> | |
18219 <param name="decoy_tag" value="DECOY_"/> | |
18220 <param name="switchKR" value="false"/> | |
18221 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18222 <output name="ctd_out" ftype="xml"> | |
18223 <assert_contents> | |
18224 <is_valid_xml/> | |
18225 </assert_contents> | |
18226 </output> | |
18227 </test> | |
18228 <test expect_num_outputs="2"> | |
18229 <conditional name="adv_opts_cond"> | |
18230 <param name="adv_opts_selector" value="advanced"/> | |
18231 <param name="min_decoy_fraction" value="0.8"/> | |
18232 <param name="aim_decoy_fraction" value="1.0"/> | |
18233 <param name="shuffle_max_attempts" value="30"/> | |
18234 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
18235 <param name="shift_precursor_mz_shift" value="0.0"/> | |
18236 <param name="shift_product_mz_shift" value="20.0"/> | |
18237 <param name="product_mz_threshold" value="0.025"/> | |
18238 <param name="allowed_fragment_types" value="b,y"/> | |
18239 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
18240 <param name="enable_detection_specific_losses" value="false"/> | |
18241 <param name="enable_detection_unspecific_losses" value="false"/> | |
18242 <param name="separate" value="true"/> | |
18243 <param name="force" value="false"/> | |
18244 <param name="test" value="true"/> | |
18245 </conditional> | |
18246 <param name="in" value="OpenSwathDecoyGenerator_input_3.TraML"/> | |
18247 <output name="out" file="OpenSwathDecoyGenerator_output_3.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
18248 <param name="out_type" value="TraML"/> | |
18249 <param name="method" value="pseudo-reverse"/> | |
18250 <param name="decoy_tag" value="DECOY_"/> | |
18251 <param name="switchKR" value="false"/> | |
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="min_decoy_fraction" value="0.4"/> | |
18263 <param name="aim_decoy_fraction" value="1.0"/> | |
18264 <param name="shuffle_max_attempts" value="30"/> | |
18265 <param name="shuffle_sequence_identity_threshold" value="0.5"/> | |
18266 <param name="shift_precursor_mz_shift" value="0.0"/> | |
18267 <param name="shift_product_mz_shift" value="20.0"/> | |
18268 <param name="product_mz_threshold" value="0.025"/> | |
18269 <param name="allowed_fragment_types" value="b,y"/> | |
18270 <param name="allowed_fragment_charges" value="1,2,3,4"/> | |
18271 <param name="enable_detection_specific_losses" value="true"/> | |
18272 <param name="enable_detection_unspecific_losses" value="true"/> | |
18273 <param name="separate" value="true"/> | |
18274 <param name="force" value="false"/> | |
18275 <param name="test" value="true"/> | |
18276 </conditional> | |
18277 <param name="in" value="OpenSwathDecoyGenerator_input_4.tsv" ftype="tabular"/> | |
18278 <output name="out" file="OpenSwathDecoyGenerator_output_4.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
18279 <param name="out_type" value="TraML"/> | |
18280 <param name="method" value="pseudo-reverse"/> | |
18281 <param name="decoy_tag" value="DECOY_"/> | |
18282 <param name="switchKR" value="true"/> | |
18283 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18284 <output name="ctd_out" ftype="xml"> | |
18285 <assert_contents> | |
18286 <is_valid_xml/> | |
18287 </assert_contents> | |
18288 </output> | |
18289 </test> | |
18290 </xml> | |
18291 <xml name="autotest_OpenSwathFeatureXMLToTSV"> | |
18292 <test expect_num_outputs="2"> | |
18293 <conditional name="adv_opts_cond"> | |
18294 <param name="adv_opts_selector" value="advanced"/> | |
18295 <param name="force" value="false"/> | |
18296 <param name="test" value="true"/> | |
18297 </conditional> | |
18298 <param name="in" value="OpenSwathFeatureXMLToTSV_input.featureXML"/> | |
18299 <param name="tr" value="OpenSwathFeatureXMLToTSV_input.TraML"/> | |
18300 <output name="out" file="OpenSwathFeatureXMLToTSV_output.short.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
18301 <param name="short_format" value="true"/> | |
18302 <param name="best_scoring_peptide" value=""/> | |
18303 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18304 <output name="ctd_out" ftype="xml"> | |
18305 <assert_contents> | |
18306 <is_valid_xml/> | |
18307 </assert_contents> | |
18308 </output> | |
18309 </test> | |
18310 <test expect_num_outputs="2"> | |
18311 <conditional name="adv_opts_cond"> | |
18312 <param name="adv_opts_selector" value="advanced"/> | |
18313 <param name="force" value="false"/> | |
18314 <param name="test" value="true"/> | |
18315 </conditional> | |
18316 <param name="in" value="OpenSwathFeatureXMLToTSV_input.featureXML"/> | |
18317 <param name="tr" value="OpenSwathFeatureXMLToTSV_input.TraML"/> | |
18318 <output name="out" file="OpenSwathFeatureXMLToTSV_output.long.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
18319 <param name="short_format" value="false"/> | |
18320 <param name="best_scoring_peptide" value=""/> | |
18321 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18322 <output name="ctd_out" ftype="xml"> | |
18323 <assert_contents> | |
18324 <is_valid_xml/> | |
18325 </assert_contents> | |
18326 </output> | |
18327 </test> | |
18328 <test expect_num_outputs="2"> | |
18329 <conditional name="adv_opts_cond"> | |
18330 <param name="adv_opts_selector" value="advanced"/> | |
18331 <param name="force" value="false"/> | |
18332 <param name="test" value="true"/> | |
18333 </conditional> | |
18334 <param name="in" value="OpenSwathFeatureXMLToTSV_input.featureXML"/> | |
18335 <param name="tr" value="OpenSwathFeatureXMLToTSV_input.TraML"/> | |
18336 <output name="out" file="OpenSwathFeatureXMLToTSV_3_output.short.csv" compare="sim_size" delta="5700" ftype="csv"/> | |
18337 <param name="short_format" value="true"/> | |
18338 <param name="best_scoring_peptide" value="main_var_xx_lda_prelim_score"/> | |
18339 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18340 <output name="ctd_out" ftype="xml"> | |
18341 <assert_contents> | |
18342 <is_valid_xml/> | |
18343 </assert_contents> | |
18344 </output> | |
18345 </test> | |
18346 </xml> | |
18347 <xml name="autotest_OpenSwathFileSplitter"/> | |
18348 <xml name="autotest_OpenSwathMzMLFileCacher"> | |
18349 <test expect_num_outputs="2"> | |
18350 <conditional name="adv_opts_cond"> | |
18351 <param name="adv_opts_selector" value="advanced"/> | |
18352 <param name="lossy_mass_accuracy" value="-1.0"/> | |
18353 <param name="process_lowmemory" value="false"/> | |
18354 <param name="lowmem_batchsize" value="500"/> | |
18355 <param name="force" value="false"/> | |
18356 <param name="test" value="true"/> | |
18357 </conditional> | |
18358 <param name="in" value="OpenSwathMzMLFileCacher_1_input.mzML"/> | |
18359 <output name="out" file="OpenSwathMzMLFileCacher_1_input.cached.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18360 <param name="out_type" value="mzml"/> | |
18361 <param name="lossy_compression" value="true"/> | |
18362 <param name="full_meta" value="true"/> | |
18363 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18364 <output name="ctd_out" ftype="xml"> | |
18365 <assert_contents> | |
18366 <is_valid_xml/> | |
18367 </assert_contents> | |
18368 </output> | |
18369 </test> | |
18370 <test expect_num_outputs="2"> | |
18371 <conditional name="adv_opts_cond"> | |
18372 <param name="adv_opts_selector" value="advanced"/> | |
18373 <param name="lossy_mass_accuracy" value="-1.0"/> | |
18374 <param name="process_lowmemory" value="false"/> | |
18375 <param name="lowmem_batchsize" value="500"/> | |
18376 <param name="force" value="false"/> | |
18377 <param name="test" value="true"/> | |
18378 </conditional> | |
18379 <param name="in" value="OpenSwathMzMLFileCacher_2_input.chrom.mzML"/> | |
18380 <output name="out" file="OpenSwathMzMLFileCacher_2_input.chrom.cached.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18381 <param name="out_type" value="mzml"/> | |
18382 <param name="lossy_compression" value="true"/> | |
18383 <param name="full_meta" value="true"/> | |
18384 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18385 <output name="ctd_out" ftype="xml"> | |
18386 <assert_contents> | |
18387 <is_valid_xml/> | |
18388 </assert_contents> | |
18389 </output> | |
18390 </test> | |
18391 <test expect_num_outputs="2"> | |
18392 <conditional name="adv_opts_cond"> | |
18393 <param name="adv_opts_selector" value="advanced"/> | |
18394 <param name="lossy_mass_accuracy" value="0.0001"/> | |
18395 <param name="process_lowmemory" value="false"/> | |
18396 <param name="lowmem_batchsize" value="500"/> | |
18397 <param name="force" value="false"/> | |
18398 <param name="test" value="true"/> | |
18399 </conditional> | |
18400 <param name="in" value="OpenSwathMzMLFileCacher_1_input.mzML"/> | |
18401 <output name="out" file="OpenSwathMzMLFileCacher_3_input.tmp.sqMass" compare="sim_size" delta="5700" ftype="sqmass"/> | |
18402 <param name="out_type" value="sqmass"/> | |
18403 <param name="lossy_compression" value="true"/> | |
18404 <param name="full_meta" value="true"/> | |
18405 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18406 <output name="ctd_out" ftype="xml"> | |
18407 <assert_contents> | |
18408 <is_valid_xml/> | |
18409 </assert_contents> | |
18410 </output> | |
18411 </test> | |
18412 <test expect_num_outputs="2"> | |
18413 <conditional name="adv_opts_cond"> | |
18414 <param name="adv_opts_selector" value="advanced"/> | |
18415 <param name="lossy_mass_accuracy" value="-1.0"/> | |
18416 <param name="process_lowmemory" value="false"/> | |
18417 <param name="lowmem_batchsize" value="500"/> | |
18418 <param name="force" value="false"/> | |
18419 <param name="test" value="true"/> | |
18420 </conditional> | |
18421 <param name="in" value="OpenSwathMzMLFileCacher_3_input.tmp.sqMass"/> | |
18422 <output name="out" file="OpenSwathMzMLFileCacher_3_output.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18423 <param name="out_type" value="mzml"/> | |
18424 <param name="lossy_compression" value="true"/> | |
18425 <param name="full_meta" value="true"/> | |
18426 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18427 <output name="ctd_out" ftype="xml"> | |
18428 <assert_contents> | |
18429 <is_valid_xml/> | |
18430 </assert_contents> | |
18431 </output> | |
18432 </test> | |
18433 <test expect_num_outputs="2"> | |
18434 <conditional name="adv_opts_cond"> | |
18435 <param name="adv_opts_selector" value="advanced"/> | |
18436 <param name="lossy_mass_accuracy" value="-1.0"/> | |
18437 <param name="process_lowmemory" value="false"/> | |
18438 <param name="lowmem_batchsize" value="500"/> | |
18439 <param name="force" value="false"/> | |
18440 <param name="test" value="true"/> | |
18441 </conditional> | |
18442 <param name="in" value="OpenSwathMzMLFileCacher_2_input.chrom.mzML"/> | |
18443 <output name="out" file="OpenSwathMzMLFileCacher_4_input.tmp.sqMass" compare="sim_size" delta="5700" ftype="sqmass"/> | |
18444 <param name="out_type" value="sqmass"/> | |
18445 <param name="lossy_compression" value="true"/> | |
18446 <param name="full_meta" value="true"/> | |
18447 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18448 <output name="ctd_out" ftype="xml"> | |
18449 <assert_contents> | |
18450 <is_valid_xml/> | |
18451 </assert_contents> | |
18452 </output> | |
18453 </test> | |
18454 <test expect_num_outputs="2"> | |
18455 <conditional name="adv_opts_cond"> | |
18456 <param name="adv_opts_selector" value="advanced"/> | |
18457 <param name="lossy_mass_accuracy" value="-1.0"/> | |
18458 <param name="process_lowmemory" value="false"/> | |
18459 <param name="lowmem_batchsize" value="500"/> | |
18460 <param name="force" value="false"/> | |
18461 <param name="test" value="true"/> | |
18462 </conditional> | |
18463 <param name="in" value="OpenSwathMzMLFileCacher_4_input.tmp.sqMass"/> | |
18464 <output name="out" file="OpenSwathMzMLFileCacher_4_output.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18465 <param name="out_type" value="mzml"/> | |
18466 <param name="lossy_compression" value="true"/> | |
18467 <param name="full_meta" value="true"/> | |
18468 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18469 <output name="ctd_out" ftype="xml"> | |
18470 <assert_contents> | |
18471 <is_valid_xml/> | |
18472 </assert_contents> | |
18473 </output> | |
18474 </test> | |
18475 <test expect_num_outputs="2"> | |
18476 <conditional name="adv_opts_cond"> | |
18477 <param name="adv_opts_selector" value="advanced"/> | |
18478 <param name="lossy_mass_accuracy" value="-1.0"/> | |
18479 <param name="process_lowmemory" value="true"/> | |
18480 <param name="lowmem_batchsize" value="500"/> | |
18481 <param name="force" value="false"/> | |
18482 <param name="test" value="true"/> | |
18483 </conditional> | |
18484 <param name="in" value="OpenSwathMzMLFileCacher_1_input.mzML"/> | |
18485 <output name="out" file="OpenSwathMzMLFileCacher_1_input.cached.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18486 <param name="out_type" value="mzml"/> | |
18487 <param name="lossy_compression" value="true"/> | |
18488 <param name="full_meta" value="true"/> | |
18489 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18490 <output name="ctd_out" ftype="xml"> | |
18491 <assert_contents> | |
18492 <is_valid_xml/> | |
18493 </assert_contents> | |
18494 </output> | |
18495 </test> | |
18496 <test expect_num_outputs="2"> | |
18497 <conditional name="adv_opts_cond"> | |
18498 <param name="adv_opts_selector" value="advanced"/> | |
18499 <param name="lossy_mass_accuracy" value="-1.0"/> | |
18500 <param name="process_lowmemory" value="false"/> | |
18501 <param name="lowmem_batchsize" value="500"/> | |
18502 <param name="force" value="false"/> | |
18503 <param name="test" value="true"/> | |
18504 </conditional> | |
18505 <param name="in" value="OpenSwathAnalyzer_2_swathfile.mzML"/> | |
18506 <output name="out" file="OpenSwathAnalyzer_4_swathfile.mzML.cached.tmp" compare="sim_size" delta="5700"/> | |
18507 <param name="out_type" value="mzML"/> | |
18508 <param name="lossy_compression" value="true"/> | |
18509 <param name="full_meta" value="true"/> | |
18510 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18511 <output name="ctd_out" ftype="xml"> | |
18512 <assert_contents> | |
18513 <is_valid_xml/> | |
18514 </assert_contents> | |
18515 </output> | |
18516 </test> | |
18517 <test expect_num_outputs="2"> | |
18518 <conditional name="adv_opts_cond"> | |
18519 <param name="adv_opts_selector" value="advanced"/> | |
18520 <param name="lossy_mass_accuracy" value="-1.0"/> | |
18521 <param name="process_lowmemory" value="false"/> | |
18522 <param name="lowmem_batchsize" value="500"/> | |
18523 <param name="force" value="false"/> | |
18524 <param name="test" value="true"/> | |
18525 </conditional> | |
18526 <param name="in" value="OpenSwathAnalyzer_1_input_chrom.mzML"/> | |
18527 <output name="out" file="OpenSwathAnalyzer_4_input_chrom.mzML.cached.tmp" compare="sim_size" delta="5700"/> | |
18528 <param name="out_type" value="mzML"/> | |
18529 <param name="lossy_compression" value="true"/> | |
18530 <param name="full_meta" value="true"/> | |
18531 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18532 <output name="ctd_out" ftype="xml"> | |
18533 <assert_contents> | |
18534 <is_valid_xml/> | |
18535 </assert_contents> | |
18536 </output> | |
18537 </test> | |
18538 <test expect_num_outputs="2"> | |
18539 <conditional name="adv_opts_cond"> | |
18540 <param name="adv_opts_selector" value="advanced"/> | |
18541 <param name="lossy_mass_accuracy" value="0.0001"/> | |
18542 <param name="process_lowmemory" value="false"/> | |
18543 <param name="lowmem_batchsize" value="500"/> | |
18544 <param name="force" value="false"/> | |
18545 <param name="test" value="true"/> | |
18546 </conditional> | |
18547 <param name="in" value="OpenSwathWorkflow_14.chrom.tmp.sqMass"/> | |
18548 <output name="out" file="OpenSwathWorkflow_14.chrom.tmp.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18549 <param name="out_type" value="mzml"/> | |
18550 <param name="lossy_compression" value="false"/> | |
18551 <param name="full_meta" value="false"/> | |
18552 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18553 <output name="ctd_out" ftype="xml"> | |
18554 <assert_contents> | |
18555 <is_valid_xml/> | |
18556 </assert_contents> | |
18557 </output> | |
18558 </test> | |
18559 </xml> | |
18560 <xml name="autotest_OpenSwathRewriteToFeatureXML"> | |
18561 </xml> | |
18562 <xml name="autotest_OpenSwathRTNormalizer"> | |
18563 <test expect_num_outputs="2"> | |
18564 <conditional name="adv_opts_cond"> | |
18565 <param name="adv_opts_selector" value="advanced"/> | |
18566 <param name="force" value="false"/> | |
18567 <param name="test" value="true"/> | |
18568 </conditional> | |
18569 <param name="in" value="OpenSwathRTNormalizer_1_input.mzML"/> | |
18570 <param name="tr" value="OpenSwathRTNormalizer_1_input.TraML"/> | |
18571 <output name="out" file="OpenSwathRTNormalizer_1_output.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
18572 <param name="min_rsq" value="0.95"/> | |
18573 <param name="min_coverage" value="0.6"/> | |
18574 <param name="estimateBestPeptides" value="false"/> | |
18575 <section name="RTNormalization"> | |
18576 <param name="outlierMethod" value="iter_residual"/> | |
18577 <param name="useIterativeChauvenet" value="false"/> | |
18578 <param name="RANSACMaxIterations" value="1000"/> | |
18579 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
18580 <param name="RANSACSamplingSize" value="10"/> | |
18581 </section> | |
18582 <section name="algorithm"> | |
18583 <param name="stop_report_after_feature" value="-1"/> | |
18584 <param name="rt_extraction_window" value="-1.0"/> | |
18585 <param name="rt_normalization_factor" value="1.0"/> | |
18586 <param name="quantification_cutoff" value="0.0"/> | |
18587 <param name="write_convex_hull" value="false"/> | |
18588 <param name="spectrum_addition_method" value="simple"/> | |
18589 <param name="add_up_spectra" value="1"/> | |
18590 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
18591 <param name="uis_threshold_sn" value="-1"/> | |
18592 <param name="uis_threshold_peak_area" value="0"/> | |
18593 <param name="scoring_model" value="default"/> | |
18594 <param name="im_extra_drift" value="0.0"/> | |
18595 <section name="TransitionGroupPicker"> | |
18596 <param name="stop_after_feature" value="-1"/> | |
18597 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
18598 <param name="min_peak_width" value="-1.0"/> | |
18599 <param name="peak_integration" value="original"/> | |
18600 <param name="background_subtraction" value="none"/> | |
18601 <param name="recalculate_peaks" value="false"/> | |
18602 <param name="use_precursors" value="false"/> | |
18603 <param name="use_consensus" value="true"/> | |
18604 <param name="recalculate_peaks_max_z" value="1.0"/> | |
18605 <param name="minimal_quality" value="-10000.0"/> | |
18606 <param name="resample_boundary" value="15.0"/> | |
18607 <param name="compute_peak_quality" value="false"/> | |
18608 <param name="compute_peak_shape_metrics" value="false"/> | |
18609 <param name="compute_total_mi" value="false"/> | |
18610 <param name="boundary_selection_method" value="largest"/> | |
18611 <section name="PeakPickerMRM"> | |
18612 <param name="sgolay_frame_length" value="15"/> | |
18613 <param name="sgolay_polynomial_order" value="3"/> | |
18614 <param name="gauss_width" value="50.0"/> | |
18615 <param name="use_gauss" value="true"/> | |
18616 <param name="peak_width" value="-1.0"/> | |
18617 <param name="signal_to_noise" value="1.0"/> | |
18618 <param name="sn_win_len" value="1000.0"/> | |
18619 <param name="sn_bin_count" value="30"/> | |
18620 <param name="write_sn_log_messages" value="false"/> | |
18621 <param name="remove_overlapping_peaks" value="false"/> | |
18622 <param name="method" value="corrected"/> | |
18623 </section> | |
18624 <section name="PeakIntegrator"> | |
18625 <param name="integration_type" value="intensity_sum"/> | |
18626 <param name="baseline_type" value="base_to_base"/> | |
18627 <param name="fit_EMG" value="false"/> | |
18628 </section> | |
18629 </section> | |
18630 <section name="DIAScoring"> | |
18631 <param name="dia_extraction_window" value="0.05"/> | |
18632 <param name="dia_extraction_unit" value="Th"/> | |
18633 <param name="dia_centroided" value="false"/> | |
18634 <param name="dia_byseries_intensity_min" value="300.0"/> | |
18635 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
18636 <param name="dia_nr_isotopes" value="4"/> | |
18637 <param name="dia_nr_charges" value="4"/> | |
18638 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
18639 </section> | |
18640 <section name="EMGScoring"> | |
18641 <param name="interpolation_step" value="0.2"/> | |
18642 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18643 <param name="max_iteration" value="500"/> | |
18644 <section name="statistics"> | |
18645 <param name="mean" value="1.0"/> | |
18646 <param name="variance" value="1.0"/> | |
18647 </section> | |
18648 </section> | |
18649 <section name="Scores"> | |
18650 <param name="use_shape_score" value="true"/> | |
18651 <param name="use_coelution_score" value="true"/> | |
18652 <param name="use_rt_score" value="true"/> | |
18653 <param name="use_library_score" value="true"/> | |
18654 <param name="use_elution_model_score" value="true"/> | |
18655 <param name="use_intensity_score" value="true"/> | |
18656 <param name="use_nr_peaks_score" value="true"/> | |
18657 <param name="use_total_xic_score" value="true"/> | |
18658 <param name="use_total_mi_score" value="false"/> | |
18659 <param name="use_sn_score" value="true"/> | |
18660 <param name="use_mi_score" value="false"/> | |
18661 <param name="use_dia_scores" value="true"/> | |
18662 <param name="use_ms1_correlation" value="false"/> | |
18663 <param name="use_sonar_scores" value="false"/> | |
18664 <param name="use_ion_mobility_scores" value="false"/> | |
18665 <param name="use_ms1_fullscan" value="false"/> | |
18666 <param name="use_ms1_mi" value="false"/> | |
18667 <param name="use_uis_scores" value="false"/> | |
18668 </section> | |
18669 </section> | |
18670 <section name="peptideEstimation"> | |
18671 <param name="InitialQualityCutoff" value="0.5"/> | |
18672 <param name="OverallQualityCutoff" value="5.5"/> | |
18673 <param name="NrRTBins" value="10"/> | |
18674 <param name="MinPeptidesPerBin" value="1"/> | |
18675 <param name="MinBinsFilled" value="8"/> | |
18676 </section> | |
18677 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18678 <output name="ctd_out" ftype="xml"> | |
18679 <assert_contents> | |
18680 <is_valid_xml/> | |
18681 </assert_contents> | |
18682 </output> | |
18683 </test> | |
18684 <test expect_num_outputs="2"> | |
18685 <conditional name="adv_opts_cond"> | |
18686 <param name="adv_opts_selector" value="advanced"/> | |
18687 <param name="force" value="false"/> | |
18688 <param name="test" value="true"/> | |
18689 </conditional> | |
18690 <param name="in" value="OpenSwathRTNormalizer_1_input.mzML"/> | |
18691 <param name="tr" value="OpenSwathRTNormalizer_1_input.TraML"/> | |
18692 <output name="out" file="OpenSwathRTNormalizer_3_output.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
18693 <param name="min_rsq" value="0.95"/> | |
18694 <param name="min_coverage" value="0.6"/> | |
18695 <param name="estimateBestPeptides" value="true"/> | |
18696 <section name="RTNormalization"> | |
18697 <param name="outlierMethod" value="iter_residual"/> | |
18698 <param name="useIterativeChauvenet" value="false"/> | |
18699 <param name="RANSACMaxIterations" value="1000"/> | |
18700 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
18701 <param name="RANSACSamplingSize" value="10"/> | |
18702 </section> | |
18703 <section name="algorithm"> | |
18704 <param name="stop_report_after_feature" value="-1"/> | |
18705 <param name="rt_extraction_window" value="-1.0"/> | |
18706 <param name="rt_normalization_factor" value="1.0"/> | |
18707 <param name="quantification_cutoff" value="0.0"/> | |
18708 <param name="write_convex_hull" value="false"/> | |
18709 <param name="spectrum_addition_method" value="simple"/> | |
18710 <param name="add_up_spectra" value="1"/> | |
18711 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
18712 <param name="uis_threshold_sn" value="-1"/> | |
18713 <param name="uis_threshold_peak_area" value="0"/> | |
18714 <param name="scoring_model" value="default"/> | |
18715 <param name="im_extra_drift" value="0.0"/> | |
18716 <section name="TransitionGroupPicker"> | |
18717 <param name="stop_after_feature" value="-1"/> | |
18718 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
18719 <param name="min_peak_width" value="-1.0"/> | |
18720 <param name="peak_integration" value="original"/> | |
18721 <param name="background_subtraction" value="none"/> | |
18722 <param name="recalculate_peaks" value="false"/> | |
18723 <param name="use_precursors" value="false"/> | |
18724 <param name="use_consensus" value="true"/> | |
18725 <param name="recalculate_peaks_max_z" value="1.0"/> | |
18726 <param name="minimal_quality" value="-10000.0"/> | |
18727 <param name="resample_boundary" value="15.0"/> | |
18728 <param name="compute_peak_quality" value="false"/> | |
18729 <param name="compute_peak_shape_metrics" value="false"/> | |
18730 <param name="compute_total_mi" value="false"/> | |
18731 <param name="boundary_selection_method" value="largest"/> | |
18732 <section name="PeakPickerMRM"> | |
18733 <param name="sgolay_frame_length" value="15"/> | |
18734 <param name="sgolay_polynomial_order" value="3"/> | |
18735 <param name="gauss_width" value="50.0"/> | |
18736 <param name="use_gauss" value="true"/> | |
18737 <param name="peak_width" value="-1.0"/> | |
18738 <param name="signal_to_noise" value="1.0"/> | |
18739 <param name="sn_win_len" value="1000.0"/> | |
18740 <param name="sn_bin_count" value="30"/> | |
18741 <param name="write_sn_log_messages" value="false"/> | |
18742 <param name="remove_overlapping_peaks" value="false"/> | |
18743 <param name="method" value="corrected"/> | |
18744 </section> | |
18745 <section name="PeakIntegrator"> | |
18746 <param name="integration_type" value="intensity_sum"/> | |
18747 <param name="baseline_type" value="base_to_base"/> | |
18748 <param name="fit_EMG" value="false"/> | |
18749 </section> | |
18750 </section> | |
18751 <section name="DIAScoring"> | |
18752 <param name="dia_extraction_window" value="0.05"/> | |
18753 <param name="dia_extraction_unit" value="Th"/> | |
18754 <param name="dia_centroided" value="false"/> | |
18755 <param name="dia_byseries_intensity_min" value="300.0"/> | |
18756 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
18757 <param name="dia_nr_isotopes" value="4"/> | |
18758 <param name="dia_nr_charges" value="4"/> | |
18759 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
18760 </section> | |
18761 <section name="EMGScoring"> | |
18762 <param name="interpolation_step" value="0.2"/> | |
18763 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18764 <param name="max_iteration" value="500"/> | |
18765 <section name="statistics"> | |
18766 <param name="mean" value="1.0"/> | |
18767 <param name="variance" value="1.0"/> | |
18768 </section> | |
18769 </section> | |
18770 <section name="Scores"> | |
18771 <param name="use_shape_score" value="true"/> | |
18772 <param name="use_coelution_score" value="true"/> | |
18773 <param name="use_rt_score" value="true"/> | |
18774 <param name="use_library_score" value="true"/> | |
18775 <param name="use_elution_model_score" value="true"/> | |
18776 <param name="use_intensity_score" value="true"/> | |
18777 <param name="use_nr_peaks_score" value="true"/> | |
18778 <param name="use_total_xic_score" value="true"/> | |
18779 <param name="use_total_mi_score" value="false"/> | |
18780 <param name="use_sn_score" value="true"/> | |
18781 <param name="use_mi_score" value="false"/> | |
18782 <param name="use_dia_scores" value="true"/> | |
18783 <param name="use_ms1_correlation" value="false"/> | |
18784 <param name="use_sonar_scores" value="false"/> | |
18785 <param name="use_ion_mobility_scores" value="false"/> | |
18786 <param name="use_ms1_fullscan" value="false"/> | |
18787 <param name="use_ms1_mi" value="false"/> | |
18788 <param name="use_uis_scores" value="false"/> | |
18789 </section> | |
18790 </section> | |
18791 <section name="peptideEstimation"> | |
18792 <param name="InitialQualityCutoff" value="0.5"/> | |
18793 <param name="OverallQualityCutoff" value="5.5"/> | |
18794 <param name="NrRTBins" value="3"/> | |
18795 <param name="MinPeptidesPerBin" value="1"/> | |
18796 <param name="MinBinsFilled" value="3"/> | |
18797 </section> | |
18798 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18799 <output name="ctd_out" ftype="xml"> | |
18800 <assert_contents> | |
18801 <is_valid_xml/> | |
18802 </assert_contents> | |
18803 </output> | |
18804 </test> | |
18805 <test expect_num_outputs="2"> | |
18806 <conditional name="adv_opts_cond"> | |
18807 <param name="adv_opts_selector" value="advanced"/> | |
18808 <param name="force" value="false"/> | |
18809 <param name="test" value="true"/> | |
18810 </conditional> | |
18811 <param name="in" value="OpenSwathRTNormalizer_1_input.mzML"/> | |
18812 <param name="tr" value="OpenSwathRTNormalizer_1_input.TraML"/> | |
18813 <output name="out" file="OpenSwathRTNormalizer_4_output.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
18814 <param name="min_rsq" value="0.95"/> | |
18815 <param name="min_coverage" value="0.6"/> | |
18816 <param name="estimateBestPeptides" value="false"/> | |
18817 <section name="RTNormalization"> | |
18818 <param name="outlierMethod" value="iter_residual"/> | |
18819 <param name="useIterativeChauvenet" value="false"/> | |
18820 <param name="RANSACMaxIterations" value="1000"/> | |
18821 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
18822 <param name="RANSACSamplingSize" value="10"/> | |
18823 </section> | |
18824 <section name="algorithm"> | |
18825 <param name="stop_report_after_feature" value="-1"/> | |
18826 <param name="rt_extraction_window" value="-1.0"/> | |
18827 <param name="rt_normalization_factor" value="1.0"/> | |
18828 <param name="quantification_cutoff" value="0.0"/> | |
18829 <param name="write_convex_hull" value="false"/> | |
18830 <param name="spectrum_addition_method" value="simple"/> | |
18831 <param name="add_up_spectra" value="1"/> | |
18832 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
18833 <param name="uis_threshold_sn" value="-1"/> | |
18834 <param name="uis_threshold_peak_area" value="0"/> | |
18835 <param name="scoring_model" value="default"/> | |
18836 <param name="im_extra_drift" value="0.0"/> | |
18837 <section name="TransitionGroupPicker"> | |
18838 <param name="stop_after_feature" value="-1"/> | |
18839 <param name="stop_after_intensity_ratio" value="0.0001"/> | |
18840 <param name="min_peak_width" value="-1.0"/> | |
18841 <param name="peak_integration" value="original"/> | |
18842 <param name="background_subtraction" value="none"/> | |
18843 <param name="recalculate_peaks" value="false"/> | |
18844 <param name="use_precursors" value="false"/> | |
18845 <param name="use_consensus" value="true"/> | |
18846 <param name="recalculate_peaks_max_z" value="1.0"/> | |
18847 <param name="minimal_quality" value="-10000.0"/> | |
18848 <param name="resample_boundary" value="15.0"/> | |
18849 <param name="compute_peak_quality" value="false"/> | |
18850 <param name="compute_peak_shape_metrics" value="false"/> | |
18851 <param name="compute_total_mi" value="false"/> | |
18852 <param name="boundary_selection_method" value="largest"/> | |
18853 <section name="PeakPickerMRM"> | |
18854 <param name="sgolay_frame_length" value="15"/> | |
18855 <param name="sgolay_polynomial_order" value="3"/> | |
18856 <param name="gauss_width" value="50.0"/> | |
18857 <param name="use_gauss" value="true"/> | |
18858 <param name="peak_width" value="-1.0"/> | |
18859 <param name="signal_to_noise" value="1.0"/> | |
18860 <param name="sn_win_len" value="1000.0"/> | |
18861 <param name="sn_bin_count" value="30"/> | |
18862 <param name="write_sn_log_messages" value="false"/> | |
18863 <param name="remove_overlapping_peaks" value="false"/> | |
18864 <param name="method" value="corrected"/> | |
18865 </section> | |
18866 <section name="PeakIntegrator"> | |
18867 <param name="integration_type" value="intensity_sum"/> | |
18868 <param name="baseline_type" value="base_to_base"/> | |
18869 <param name="fit_EMG" value="false"/> | |
18870 </section> | |
18871 </section> | |
18872 <section name="DIAScoring"> | |
18873 <param name="dia_extraction_window" value="0.05"/> | |
18874 <param name="dia_extraction_unit" value="Th"/> | |
18875 <param name="dia_centroided" value="false"/> | |
18876 <param name="dia_byseries_intensity_min" value="300.0"/> | |
18877 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
18878 <param name="dia_nr_isotopes" value="4"/> | |
18879 <param name="dia_nr_charges" value="4"/> | |
18880 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
18881 </section> | |
18882 <section name="EMGScoring"> | |
18883 <param name="interpolation_step" value="0.2"/> | |
18884 <param name="tolerance_stdev_bounding_box" value="3.0"/> | |
18885 <param name="max_iteration" value="500"/> | |
18886 <section name="statistics"> | |
18887 <param name="mean" value="1.0"/> | |
18888 <param name="variance" value="1.0"/> | |
18889 </section> | |
18890 </section> | |
18891 <section name="Scores"> | |
18892 <param name="use_shape_score" value="true"/> | |
18893 <param name="use_coelution_score" value="true"/> | |
18894 <param name="use_rt_score" value="true"/> | |
18895 <param name="use_library_score" value="true"/> | |
18896 <param name="use_elution_model_score" value="true"/> | |
18897 <param name="use_intensity_score" value="true"/> | |
18898 <param name="use_nr_peaks_score" value="true"/> | |
18899 <param name="use_total_xic_score" value="true"/> | |
18900 <param name="use_total_mi_score" value="false"/> | |
18901 <param name="use_sn_score" value="true"/> | |
18902 <param name="use_mi_score" value="false"/> | |
18903 <param name="use_dia_scores" value="true"/> | |
18904 <param name="use_ms1_correlation" value="false"/> | |
18905 <param name="use_sonar_scores" value="false"/> | |
18906 <param name="use_ion_mobility_scores" value="false"/> | |
18907 <param name="use_ms1_fullscan" value="false"/> | |
18908 <param name="use_ms1_mi" value="false"/> | |
18909 <param name="use_uis_scores" value="false"/> | |
18910 </section> | |
18911 </section> | |
18912 <section name="peptideEstimation"> | |
18913 <param name="InitialQualityCutoff" value="0.5"/> | |
18914 <param name="OverallQualityCutoff" value="5.5"/> | |
18915 <param name="NrRTBins" value="10"/> | |
18916 <param name="MinPeptidesPerBin" value="1"/> | |
18917 <param name="MinBinsFilled" value="8"/> | |
18918 </section> | |
18919 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
18920 <output name="ctd_out" ftype="xml"> | |
18921 <assert_contents> | |
18922 <is_valid_xml/> | |
18923 </assert_contents> | |
18924 </output> | |
18925 </test> | |
18926 </xml> | |
18927 <xml name="autotest_OpenSwathWorkflow"> | |
18928 <test expect_num_outputs="4"> | |
18929 <conditional name="adv_opts_cond"> | |
18930 <param name="adv_opts_selector" value="advanced"/> | |
18931 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
18932 <param name="sort_swath_maps" value="false"/> | |
18933 <param name="use_ms1_traces" value="false"/> | |
18934 <param name="enable_uis_scoring" value="false"/> | |
18935 <param name="out_chrom_type" value="mzML"/> | |
18936 <param name="min_upper_edge_dist" value="0.0"/> | |
18937 <param name="extra_rt_extraction_window" value="0.0"/> | |
18938 <param name="mz_extraction_window_unit" value="Th"/> | |
18939 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
18940 <param name="use_ms1_ion_mobility" value="true"/> | |
18941 <param name="matching_window_only" value="false"/> | |
18942 <param name="irt_mz_extraction_window" value="0.05"/> | |
18943 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
18944 <param name="irt_im_extraction_window" value="-1.0"/> | |
18945 <param name="min_rsq" value="0.95"/> | |
18946 <param name="min_coverage" value="0.6"/> | |
18947 <param name="split_file_input" value="false"/> | |
18948 <param name="use_elution_model_score" value="false"/> | |
18949 <param name="readOptions" value="normal"/> | |
18950 <param name="mz_correction_function" value="none"/> | |
18951 <param name="extraction_function" value="tophat"/> | |
18952 <param name="batchSize" value="250"/> | |
18953 <param name="ms1_isotopes" value="0"/> | |
18954 <param name="force" value="false"/> | |
18955 <param name="test" value="true"/> | |
18956 </conditional> | |
18957 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
18958 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
18959 <param name="tr_type" value=""/> | |
18960 <output name="out_features" file="OpenSwathWorkflow_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
18961 <output name="out_chrom" file="OpenSwathWorkflow_1_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
18962 <output name="out_qc" file="OpenSwathWorkflow_1_output.json" compare="sim_size" delta="5700" ftype="json"/> | |
18963 <param name="sonar" value="false"/> | |
18964 <param name="rt_extraction_window" value="600.0"/> | |
18965 <param name="ion_mobility_window" value="-1.0"/> | |
18966 <param name="mz_extraction_window" value="0.05"/> | |
18967 <param name="mz_extraction_window_ms1" value="0.05"/> | |
18968 <param name="im_extraction_window_ms1" value="-1.0"/> | |
18969 <section name="Debugging"/> | |
18970 <section name="Calibration"> | |
18971 <param name="ms1_im_calibration" value="false"/> | |
18972 <param name="im_correction_function" value="linear"/> | |
18973 <param name="debug_im_file" value=""/> | |
18974 <param name="debug_mz_file" value=""/> | |
18975 </section> | |
18976 <section name="Library"> | |
18977 <param name="retentionTimeInterpretation" value="iRT"/> | |
18978 <param name="override_group_label_check" value="false"/> | |
18979 <param name="force_invalid_mods" value="false"/> | |
18980 </section> | |
18981 <section name="RTNormalization"> | |
18982 <param name="alignmentMethod" value="linear"/> | |
18983 <param name="outlierMethod" value="iter_residual"/> | |
18984 <param name="useIterativeChauvenet" value="false"/> | |
18985 <param name="RANSACMaxIterations" value="1000"/> | |
18986 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
18987 <param name="RANSACSamplingSize" value="10"/> | |
18988 <param name="estimateBestPeptides" value="false"/> | |
18989 <param name="InitialQualityCutoff" value="0.5"/> | |
18990 <param name="OverallQualityCutoff" value="5.5"/> | |
18991 <param name="NrRTBins" value="10"/> | |
18992 <param name="MinPeptidesPerBin" value="1"/> | |
18993 <param name="MinBinsFilled" value="8"/> | |
18994 <section name="lowess"> | |
18995 <param name="span" value="0.666666666666667"/> | |
18996 </section> | |
18997 <section name="b_spline"> | |
18998 <param name="num_nodes" value="5"/> | |
18999 </section> | |
19000 </section> | |
19001 <section name="Scoring"> | |
19002 <param name="stop_report_after_feature" value="5"/> | |
19003 <param name="rt_normalization_factor" value="100.0"/> | |
19004 <param name="quantification_cutoff" value="0.0"/> | |
19005 <param name="write_convex_hull" value="false"/> | |
19006 <param name="spectrum_addition_method" value="simple"/> | |
19007 <param name="add_up_spectra" value="1"/> | |
19008 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19009 <param name="uis_threshold_sn" value="0"/> | |
19010 <param name="uis_threshold_peak_area" value="0"/> | |
19011 <param name="scoring_model" value="default"/> | |
19012 <param name="im_extra_drift" value="0.0"/> | |
19013 <section name="TransitionGroupPicker"> | |
19014 <param name="stop_after_feature" value="-1"/> | |
19015 <param name="min_peak_width" value="-1.0"/> | |
19016 <param name="peak_integration" value="original"/> | |
19017 <param name="background_subtraction" value="none"/> | |
19018 <param name="recalculate_peaks" value="true"/> | |
19019 <param name="use_precursors" value="false"/> | |
19020 <param name="use_consensus" value="true"/> | |
19021 <param name="recalculate_peaks_max_z" value="0.75"/> | |
19022 <param name="minimal_quality" value="-1.5"/> | |
19023 <param name="resample_boundary" value="15.0"/> | |
19024 <param name="compute_peak_quality" value="true"/> | |
19025 <param name="compute_peak_shape_metrics" value="false"/> | |
19026 <param name="compute_total_mi" value="false"/> | |
19027 <param name="boundary_selection_method" value="largest"/> | |
19028 <section name="PeakPickerMRM"> | |
19029 <param name="sgolay_frame_length" value="11"/> | |
19030 <param name="sgolay_polynomial_order" value="3"/> | |
19031 <param name="gauss_width" value="30.0"/> | |
19032 <param name="use_gauss" value="false"/> | |
19033 <param name="peak_width" value="-1.0"/> | |
19034 <param name="signal_to_noise" value="0.1"/> | |
19035 <param name="write_sn_log_messages" value="false"/> | |
19036 <param name="remove_overlapping_peaks" value="true"/> | |
19037 <param name="method" value="corrected"/> | |
19038 </section> | |
19039 <section name="PeakIntegrator"> | |
19040 <param name="integration_type" value="intensity_sum"/> | |
19041 <param name="baseline_type" value="base_to_base"/> | |
19042 <param name="fit_EMG" value="false"/> | |
19043 </section> | |
19044 </section> | |
19045 <section name="DIAScoring"> | |
19046 <param name="dia_extraction_window" value="0.05"/> | |
19047 <param name="dia_extraction_unit" value="Th"/> | |
19048 <param name="dia_centroided" value="false"/> | |
19049 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19050 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19051 <param name="dia_nr_isotopes" value="4"/> | |
19052 <param name="dia_nr_charges" value="4"/> | |
19053 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19054 </section> | |
19055 <section name="EMGScoring"> | |
19056 <param name="max_iteration" value="10"/> | |
19057 </section> | |
19058 <section name="Scores"> | |
19059 <param name="use_shape_score" value="true"/> | |
19060 <param name="use_coelution_score" value="true"/> | |
19061 <param name="use_rt_score" value="true"/> | |
19062 <param name="use_library_score" value="true"/> | |
19063 <param name="use_intensity_score" value="true"/> | |
19064 <param name="use_nr_peaks_score" value="true"/> | |
19065 <param name="use_total_xic_score" value="true"/> | |
19066 <param name="use_total_mi_score" value="false"/> | |
19067 <param name="use_sn_score" value="true"/> | |
19068 <param name="use_mi_score" value="false"/> | |
19069 <param name="use_dia_scores" value="true"/> | |
19070 <param name="use_ms1_correlation" value="false"/> | |
19071 <param name="use_sonar_scores" value="false"/> | |
19072 <param name="use_ion_mobility_scores" value="false"/> | |
19073 <param name="use_ms1_fullscan" value="false"/> | |
19074 <param name="use_ms1_mi" value="false"/> | |
19075 <param name="use_uis_scores" value="false"/> | |
19076 </section> | |
19077 </section> | |
19078 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG,out_qc_FLAG"/> | |
19079 <output name="ctd_out" ftype="xml"> | |
19080 <assert_contents> | |
19081 <is_valid_xml/> | |
19082 </assert_contents> | |
19083 </output> | |
19084 </test> | |
19085 <test expect_num_outputs="3"> | |
19086 <conditional name="adv_opts_cond"> | |
19087 <param name="adv_opts_selector" value="advanced"/> | |
19088 <param name="rt_norm" value="OpenSwathWorkflow_2_input.trafoXML"/> | |
19089 <param name="sort_swath_maps" value="false"/> | |
19090 <param name="use_ms1_traces" value="false"/> | |
19091 <param name="enable_uis_scoring" value="false"/> | |
19092 <param name="out_chrom_type" value="mzML"/> | |
19093 <param name="min_upper_edge_dist" value="0.0"/> | |
19094 <param name="extra_rt_extraction_window" value="0.0"/> | |
19095 <param name="mz_extraction_window_unit" value="Th"/> | |
19096 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
19097 <param name="use_ms1_ion_mobility" value="true"/> | |
19098 <param name="matching_window_only" value="false"/> | |
19099 <param name="irt_mz_extraction_window" value="0.05"/> | |
19100 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
19101 <param name="irt_im_extraction_window" value="-1.0"/> | |
19102 <param name="min_rsq" value="0.95"/> | |
19103 <param name="min_coverage" value="0.6"/> | |
19104 <param name="split_file_input" value="false"/> | |
19105 <param name="use_elution_model_score" value="false"/> | |
19106 <param name="readOptions" value="normal"/> | |
19107 <param name="mz_correction_function" value="none"/> | |
19108 <param name="extraction_function" value="tophat"/> | |
19109 <param name="batchSize" value="250"/> | |
19110 <param name="ms1_isotopes" value="0"/> | |
19111 <param name="force" value="false"/> | |
19112 <param name="test" value="true"/> | |
19113 </conditional> | |
19114 <param name="in" value="OpenSwathWorkflow_2_input.mzXML"/> | |
19115 <param name="tr" value="OpenSwathWorkflow_2_input.TraML"/> | |
19116 <param name="tr_type" value=""/> | |
19117 <output name="out_features" file="OpenSwathWorkflow_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
19118 <output name="out_chrom" file="OpenSwathWorkflow_2_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19119 <param name="sonar" value="false"/> | |
19120 <param name="rt_extraction_window" value="600.0"/> | |
19121 <param name="ion_mobility_window" value="-1.0"/> | |
19122 <param name="mz_extraction_window" value="0.05"/> | |
19123 <param name="mz_extraction_window_ms1" value="0.05"/> | |
19124 <param name="im_extraction_window_ms1" value="-1.0"/> | |
19125 <section name="Debugging"/> | |
19126 <section name="Calibration"> | |
19127 <param name="ms1_im_calibration" value="false"/> | |
19128 <param name="im_correction_function" value="linear"/> | |
19129 <param name="debug_im_file" value=""/> | |
19130 <param name="debug_mz_file" value=""/> | |
19131 </section> | |
19132 <section name="Library"> | |
19133 <param name="retentionTimeInterpretation" value="iRT"/> | |
19134 <param name="override_group_label_check" value="false"/> | |
19135 <param name="force_invalid_mods" value="false"/> | |
19136 </section> | |
19137 <section name="RTNormalization"> | |
19138 <param name="alignmentMethod" value="linear"/> | |
19139 <param name="outlierMethod" value="iter_residual"/> | |
19140 <param name="useIterativeChauvenet" value="false"/> | |
19141 <param name="RANSACMaxIterations" value="1000"/> | |
19142 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19143 <param name="RANSACSamplingSize" value="10"/> | |
19144 <param name="estimateBestPeptides" value="false"/> | |
19145 <param name="InitialQualityCutoff" value="0.5"/> | |
19146 <param name="OverallQualityCutoff" value="5.5"/> | |
19147 <param name="NrRTBins" value="10"/> | |
19148 <param name="MinPeptidesPerBin" value="1"/> | |
19149 <param name="MinBinsFilled" value="8"/> | |
19150 <section name="lowess"> | |
19151 <param name="span" value="0.666666666666667"/> | |
19152 </section> | |
19153 <section name="b_spline"> | |
19154 <param name="num_nodes" value="5"/> | |
19155 </section> | |
19156 </section> | |
19157 <section name="Scoring"> | |
19158 <param name="stop_report_after_feature" value="5"/> | |
19159 <param name="rt_normalization_factor" value="100.0"/> | |
19160 <param name="quantification_cutoff" value="0.0"/> | |
19161 <param name="write_convex_hull" value="false"/> | |
19162 <param name="spectrum_addition_method" value="simple"/> | |
19163 <param name="add_up_spectra" value="1"/> | |
19164 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19165 <param name="uis_threshold_sn" value="0"/> | |
19166 <param name="uis_threshold_peak_area" value="0"/> | |
19167 <param name="scoring_model" value="default"/> | |
19168 <param name="im_extra_drift" value="0.0"/> | |
19169 <section name="TransitionGroupPicker"> | |
19170 <param name="stop_after_feature" value="-1"/> | |
19171 <param name="min_peak_width" value="-1.0"/> | |
19172 <param name="peak_integration" value="original"/> | |
19173 <param name="background_subtraction" value="none"/> | |
19174 <param name="recalculate_peaks" value="true"/> | |
19175 <param name="use_precursors" value="false"/> | |
19176 <param name="use_consensus" value="true"/> | |
19177 <param name="recalculate_peaks_max_z" value="0.75"/> | |
19178 <param name="minimal_quality" value="-1.5"/> | |
19179 <param name="resample_boundary" value="15.0"/> | |
19180 <param name="compute_peak_quality" value="true"/> | |
19181 <param name="compute_peak_shape_metrics" value="false"/> | |
19182 <param name="compute_total_mi" value="false"/> | |
19183 <param name="boundary_selection_method" value="largest"/> | |
19184 <section name="PeakPickerMRM"> | |
19185 <param name="sgolay_frame_length" value="11"/> | |
19186 <param name="sgolay_polynomial_order" value="3"/> | |
19187 <param name="gauss_width" value="30.0"/> | |
19188 <param name="use_gauss" value="false"/> | |
19189 <param name="peak_width" value="-1.0"/> | |
19190 <param name="signal_to_noise" value="0.1"/> | |
19191 <param name="write_sn_log_messages" value="false"/> | |
19192 <param name="remove_overlapping_peaks" value="true"/> | |
19193 <param name="method" value="corrected"/> | |
19194 </section> | |
19195 <section name="PeakIntegrator"> | |
19196 <param name="integration_type" value="intensity_sum"/> | |
19197 <param name="baseline_type" value="base_to_base"/> | |
19198 <param name="fit_EMG" value="false"/> | |
19199 </section> | |
19200 </section> | |
19201 <section name="DIAScoring"> | |
19202 <param name="dia_extraction_window" value="0.05"/> | |
19203 <param name="dia_extraction_unit" value="Th"/> | |
19204 <param name="dia_centroided" value="false"/> | |
19205 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19206 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19207 <param name="dia_nr_isotopes" value="4"/> | |
19208 <param name="dia_nr_charges" value="4"/> | |
19209 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19210 </section> | |
19211 <section name="EMGScoring"> | |
19212 <param name="max_iteration" value="10"/> | |
19213 </section> | |
19214 <section name="Scores"> | |
19215 <param name="use_shape_score" value="true"/> | |
19216 <param name="use_coelution_score" value="true"/> | |
19217 <param name="use_rt_score" value="true"/> | |
19218 <param name="use_library_score" value="true"/> | |
19219 <param name="use_intensity_score" value="true"/> | |
19220 <param name="use_nr_peaks_score" value="true"/> | |
19221 <param name="use_total_xic_score" value="true"/> | |
19222 <param name="use_total_mi_score" value="false"/> | |
19223 <param name="use_sn_score" value="true"/> | |
19224 <param name="use_mi_score" value="false"/> | |
19225 <param name="use_dia_scores" value="true"/> | |
19226 <param name="use_ms1_correlation" value="false"/> | |
19227 <param name="use_sonar_scores" value="false"/> | |
19228 <param name="use_ion_mobility_scores" value="false"/> | |
19229 <param name="use_ms1_fullscan" value="false"/> | |
19230 <param name="use_ms1_mi" value="false"/> | |
19231 <param name="use_uis_scores" value="false"/> | |
19232 </section> | |
19233 </section> | |
19234 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
19235 <output name="ctd_out" ftype="xml"> | |
19236 <assert_contents> | |
19237 <is_valid_xml/> | |
19238 </assert_contents> | |
19239 </output> | |
19240 </test> | |
19241 <test expect_num_outputs="3"> | |
19242 <conditional name="adv_opts_cond"> | |
19243 <param name="adv_opts_selector" value="advanced"/> | |
19244 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
19245 <param name="sort_swath_maps" value="false"/> | |
19246 <param name="use_ms1_traces" value="true"/> | |
19247 <param name="enable_uis_scoring" value="false"/> | |
19248 <param name="out_chrom_type" value="mzML"/> | |
19249 <param name="min_upper_edge_dist" value="0.0"/> | |
19250 <param name="extra_rt_extraction_window" value="0.0"/> | |
19251 <param name="mz_extraction_window_unit" value="Th"/> | |
19252 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
19253 <param name="use_ms1_ion_mobility" value="true"/> | |
19254 <param name="matching_window_only" value="false"/> | |
19255 <param name="irt_mz_extraction_window" value="0.05"/> | |
19256 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
19257 <param name="irt_im_extraction_window" value="-1.0"/> | |
19258 <param name="min_rsq" value="0.95"/> | |
19259 <param name="min_coverage" value="0.6"/> | |
19260 <param name="split_file_input" value="false"/> | |
19261 <param name="use_elution_model_score" value="false"/> | |
19262 <param name="readOptions" value="normal"/> | |
19263 <param name="mz_correction_function" value="none"/> | |
19264 <param name="extraction_function" value="tophat"/> | |
19265 <param name="batchSize" value="250"/> | |
19266 <param name="ms1_isotopes" value="0"/> | |
19267 <param name="force" value="false"/> | |
19268 <param name="test" value="true"/> | |
19269 </conditional> | |
19270 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
19271 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
19272 <param name="tr_type" value=""/> | |
19273 <output name="out_features" file="OpenSwathWorkflow_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
19274 <output name="out_chrom" file="OpenSwathWorkflow_3_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19275 <param name="sonar" value="false"/> | |
19276 <param name="rt_extraction_window" value="600.0"/> | |
19277 <param name="ion_mobility_window" value="-1.0"/> | |
19278 <param name="mz_extraction_window" value="0.05"/> | |
19279 <param name="mz_extraction_window_ms1" value="0.05"/> | |
19280 <param name="im_extraction_window_ms1" value="-1.0"/> | |
19281 <section name="Debugging"/> | |
19282 <section name="Calibration"> | |
19283 <param name="ms1_im_calibration" value="false"/> | |
19284 <param name="im_correction_function" value="linear"/> | |
19285 <param name="debug_im_file" value=""/> | |
19286 <param name="debug_mz_file" value=""/> | |
19287 </section> | |
19288 <section name="Library"> | |
19289 <param name="retentionTimeInterpretation" value="iRT"/> | |
19290 <param name="override_group_label_check" value="false"/> | |
19291 <param name="force_invalid_mods" value="false"/> | |
19292 </section> | |
19293 <section name="RTNormalization"> | |
19294 <param name="alignmentMethod" value="linear"/> | |
19295 <param name="outlierMethod" value="iter_residual"/> | |
19296 <param name="useIterativeChauvenet" value="false"/> | |
19297 <param name="RANSACMaxIterations" value="1000"/> | |
19298 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19299 <param name="RANSACSamplingSize" value="10"/> | |
19300 <param name="estimateBestPeptides" value="false"/> | |
19301 <param name="InitialQualityCutoff" value="0.5"/> | |
19302 <param name="OverallQualityCutoff" value="5.5"/> | |
19303 <param name="NrRTBins" value="10"/> | |
19304 <param name="MinPeptidesPerBin" value="1"/> | |
19305 <param name="MinBinsFilled" value="8"/> | |
19306 <section name="lowess"> | |
19307 <param name="span" value="0.666666666666667"/> | |
19308 </section> | |
19309 <section name="b_spline"> | |
19310 <param name="num_nodes" value="5"/> | |
19311 </section> | |
19312 </section> | |
19313 <section name="Scoring"> | |
19314 <param name="stop_report_after_feature" value="5"/> | |
19315 <param name="rt_normalization_factor" value="100.0"/> | |
19316 <param name="quantification_cutoff" value="0.0"/> | |
19317 <param name="write_convex_hull" value="false"/> | |
19318 <param name="spectrum_addition_method" value="simple"/> | |
19319 <param name="add_up_spectra" value="1"/> | |
19320 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19321 <param name="uis_threshold_sn" value="0"/> | |
19322 <param name="uis_threshold_peak_area" value="0"/> | |
19323 <param name="scoring_model" value="default"/> | |
19324 <param name="im_extra_drift" value="0.0"/> | |
19325 <section name="TransitionGroupPicker"> | |
19326 <param name="stop_after_feature" value="-1"/> | |
19327 <param name="min_peak_width" value="-1.0"/> | |
19328 <param name="peak_integration" value="original"/> | |
19329 <param name="background_subtraction" value="none"/> | |
19330 <param name="recalculate_peaks" value="true"/> | |
19331 <param name="use_precursors" value="false"/> | |
19332 <param name="use_consensus" value="true"/> | |
19333 <param name="recalculate_peaks_max_z" value="0.75"/> | |
19334 <param name="minimal_quality" value="-1.5"/> | |
19335 <param name="resample_boundary" value="15.0"/> | |
19336 <param name="compute_peak_quality" value="true"/> | |
19337 <param name="compute_peak_shape_metrics" value="false"/> | |
19338 <param name="compute_total_mi" value="false"/> | |
19339 <param name="boundary_selection_method" value="largest"/> | |
19340 <section name="PeakPickerMRM"> | |
19341 <param name="sgolay_frame_length" value="11"/> | |
19342 <param name="sgolay_polynomial_order" value="3"/> | |
19343 <param name="gauss_width" value="30.0"/> | |
19344 <param name="use_gauss" value="false"/> | |
19345 <param name="peak_width" value="-1.0"/> | |
19346 <param name="signal_to_noise" value="0.1"/> | |
19347 <param name="write_sn_log_messages" value="false"/> | |
19348 <param name="remove_overlapping_peaks" value="true"/> | |
19349 <param name="method" value="corrected"/> | |
19350 </section> | |
19351 <section name="PeakIntegrator"> | |
19352 <param name="integration_type" value="intensity_sum"/> | |
19353 <param name="baseline_type" value="base_to_base"/> | |
19354 <param name="fit_EMG" value="false"/> | |
19355 </section> | |
19356 </section> | |
19357 <section name="DIAScoring"> | |
19358 <param name="dia_extraction_window" value="0.05"/> | |
19359 <param name="dia_extraction_unit" value="Th"/> | |
19360 <param name="dia_centroided" value="false"/> | |
19361 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19362 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19363 <param name="dia_nr_isotopes" value="4"/> | |
19364 <param name="dia_nr_charges" value="4"/> | |
19365 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19366 </section> | |
19367 <section name="EMGScoring"> | |
19368 <param name="max_iteration" value="10"/> | |
19369 </section> | |
19370 <section name="Scores"> | |
19371 <param name="use_shape_score" value="true"/> | |
19372 <param name="use_coelution_score" value="true"/> | |
19373 <param name="use_rt_score" value="true"/> | |
19374 <param name="use_library_score" value="true"/> | |
19375 <param name="use_intensity_score" value="true"/> | |
19376 <param name="use_nr_peaks_score" value="true"/> | |
19377 <param name="use_total_xic_score" value="true"/> | |
19378 <param name="use_total_mi_score" value="false"/> | |
19379 <param name="use_sn_score" value="true"/> | |
19380 <param name="use_mi_score" value="false"/> | |
19381 <param name="use_dia_scores" value="true"/> | |
19382 <param name="use_ms1_correlation" value="false"/> | |
19383 <param name="use_sonar_scores" value="false"/> | |
19384 <param name="use_ion_mobility_scores" value="false"/> | |
19385 <param name="use_ms1_fullscan" value="false"/> | |
19386 <param name="use_ms1_mi" value="false"/> | |
19387 <param name="use_uis_scores" value="false"/> | |
19388 </section> | |
19389 </section> | |
19390 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
19391 <output name="ctd_out" ftype="xml"> | |
19392 <assert_contents> | |
19393 <is_valid_xml/> | |
19394 </assert_contents> | |
19395 </output> | |
19396 </test> | |
19397 <test expect_num_outputs="3"> | |
19398 <conditional name="adv_opts_cond"> | |
19399 <param name="adv_opts_selector" value="advanced"/> | |
19400 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
19401 <param name="sort_swath_maps" value="false"/> | |
19402 <param name="use_ms1_traces" value="true"/> | |
19403 <param name="enable_uis_scoring" value="false"/> | |
19404 <param name="out_chrom_type" value="mzML"/> | |
19405 <param name="min_upper_edge_dist" value="0.0"/> | |
19406 <param name="extra_rt_extraction_window" value="0.0"/> | |
19407 <param name="mz_extraction_window_unit" value="Th"/> | |
19408 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
19409 <param name="use_ms1_ion_mobility" value="true"/> | |
19410 <param name="matching_window_only" value="false"/> | |
19411 <param name="irt_mz_extraction_window" value="0.05"/> | |
19412 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
19413 <param name="irt_im_extraction_window" value="-1.0"/> | |
19414 <param name="min_rsq" value="0.95"/> | |
19415 <param name="min_coverage" value="0.6"/> | |
19416 <param name="split_file_input" value="false"/> | |
19417 <param name="use_elution_model_score" value="false"/> | |
19418 <param name="readOptions" value="normal"/> | |
19419 <param name="mz_correction_function" value="none"/> | |
19420 <param name="extraction_function" value="tophat"/> | |
19421 <param name="batchSize" value="250"/> | |
19422 <param name="ms1_isotopes" value="0"/> | |
19423 <param name="force" value="false"/> | |
19424 <param name="test" value="true"/> | |
19425 </conditional> | |
19426 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
19427 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
19428 <param name="tr_type" value=""/> | |
19429 <output name="out_tsv" file="OpenSwathWorkflow_4.tsv.tmp" compare="sim_size" delta="5700" ftype="tabular"/> | |
19430 <output name="out_chrom" file="OpenSwathWorkflow_4.chrom.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
19431 <param name="sonar" value="false"/> | |
19432 <param name="rt_extraction_window" value="600.0"/> | |
19433 <param name="ion_mobility_window" value="-1.0"/> | |
19434 <param name="mz_extraction_window" value="0.05"/> | |
19435 <param name="mz_extraction_window_ms1" value="0.05"/> | |
19436 <param name="im_extraction_window_ms1" value="-1.0"/> | |
19437 <section name="Debugging"/> | |
19438 <section name="Calibration"> | |
19439 <param name="ms1_im_calibration" value="false"/> | |
19440 <param name="im_correction_function" value="linear"/> | |
19441 <param name="debug_im_file" value=""/> | |
19442 <param name="debug_mz_file" value=""/> | |
19443 </section> | |
19444 <section name="Library"> | |
19445 <param name="retentionTimeInterpretation" value="iRT"/> | |
19446 <param name="override_group_label_check" value="false"/> | |
19447 <param name="force_invalid_mods" value="false"/> | |
19448 </section> | |
19449 <section name="RTNormalization"> | |
19450 <param name="alignmentMethod" value="linear"/> | |
19451 <param name="outlierMethod" value="iter_residual"/> | |
19452 <param name="useIterativeChauvenet" value="false"/> | |
19453 <param name="RANSACMaxIterations" value="1000"/> | |
19454 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19455 <param name="RANSACSamplingSize" value="10"/> | |
19456 <param name="estimateBestPeptides" value="false"/> | |
19457 <param name="InitialQualityCutoff" value="0.5"/> | |
19458 <param name="OverallQualityCutoff" value="5.5"/> | |
19459 <param name="NrRTBins" value="10"/> | |
19460 <param name="MinPeptidesPerBin" value="1"/> | |
19461 <param name="MinBinsFilled" value="8"/> | |
19462 <section name="lowess"> | |
19463 <param name="span" value="0.666666666666667"/> | |
19464 </section> | |
19465 <section name="b_spline"> | |
19466 <param name="num_nodes" value="5"/> | |
19467 </section> | |
19468 </section> | |
19469 <section name="Scoring"> | |
19470 <param name="stop_report_after_feature" value="5"/> | |
19471 <param name="rt_normalization_factor" value="100.0"/> | |
19472 <param name="quantification_cutoff" value="0.0"/> | |
19473 <param name="write_convex_hull" value="false"/> | |
19474 <param name="spectrum_addition_method" value="simple"/> | |
19475 <param name="add_up_spectra" value="1"/> | |
19476 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19477 <param name="uis_threshold_sn" value="0"/> | |
19478 <param name="uis_threshold_peak_area" value="0"/> | |
19479 <param name="scoring_model" value="default"/> | |
19480 <param name="im_extra_drift" value="0.0"/> | |
19481 <section name="TransitionGroupPicker"> | |
19482 <param name="stop_after_feature" value="-1"/> | |
19483 <param name="min_peak_width" value="-1.0"/> | |
19484 <param name="peak_integration" value="original"/> | |
19485 <param name="background_subtraction" value="none"/> | |
19486 <param name="recalculate_peaks" value="true"/> | |
19487 <param name="use_precursors" value="false"/> | |
19488 <param name="use_consensus" value="true"/> | |
19489 <param name="recalculate_peaks_max_z" value="0.75"/> | |
19490 <param name="minimal_quality" value="-1.5"/> | |
19491 <param name="resample_boundary" value="15.0"/> | |
19492 <param name="compute_peak_quality" value="true"/> | |
19493 <param name="compute_peak_shape_metrics" value="false"/> | |
19494 <param name="compute_total_mi" value="false"/> | |
19495 <param name="boundary_selection_method" value="largest"/> | |
19496 <section name="PeakPickerMRM"> | |
19497 <param name="sgolay_frame_length" value="11"/> | |
19498 <param name="sgolay_polynomial_order" value="3"/> | |
19499 <param name="gauss_width" value="30.0"/> | |
19500 <param name="use_gauss" value="false"/> | |
19501 <param name="peak_width" value="-1.0"/> | |
19502 <param name="signal_to_noise" value="0.1"/> | |
19503 <param name="write_sn_log_messages" value="false"/> | |
19504 <param name="remove_overlapping_peaks" value="true"/> | |
19505 <param name="method" value="corrected"/> | |
19506 </section> | |
19507 <section name="PeakIntegrator"> | |
19508 <param name="integration_type" value="intensity_sum"/> | |
19509 <param name="baseline_type" value="base_to_base"/> | |
19510 <param name="fit_EMG" value="false"/> | |
19511 </section> | |
19512 </section> | |
19513 <section name="DIAScoring"> | |
19514 <param name="dia_extraction_window" value="0.05"/> | |
19515 <param name="dia_extraction_unit" value="Th"/> | |
19516 <param name="dia_centroided" value="false"/> | |
19517 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19518 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19519 <param name="dia_nr_isotopes" value="4"/> | |
19520 <param name="dia_nr_charges" value="4"/> | |
19521 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19522 </section> | |
19523 <section name="EMGScoring"> | |
19524 <param name="max_iteration" value="10"/> | |
19525 </section> | |
19526 <section name="Scores"> | |
19527 <param name="use_shape_score" value="true"/> | |
19528 <param name="use_coelution_score" value="true"/> | |
19529 <param name="use_rt_score" value="true"/> | |
19530 <param name="use_library_score" value="true"/> | |
19531 <param name="use_intensity_score" value="true"/> | |
19532 <param name="use_nr_peaks_score" value="true"/> | |
19533 <param name="use_total_xic_score" value="true"/> | |
19534 <param name="use_total_mi_score" value="false"/> | |
19535 <param name="use_sn_score" value="true"/> | |
19536 <param name="use_mi_score" value="false"/> | |
19537 <param name="use_dia_scores" value="true"/> | |
19538 <param name="use_ms1_correlation" value="false"/> | |
19539 <param name="use_sonar_scores" value="false"/> | |
19540 <param name="use_ion_mobility_scores" value="false"/> | |
19541 <param name="use_ms1_fullscan" value="false"/> | |
19542 <param name="use_ms1_mi" value="false"/> | |
19543 <param name="use_uis_scores" value="false"/> | |
19544 </section> | |
19545 </section> | |
19546 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_tsv_FLAG,out_chrom_FLAG"/> | |
19547 <output name="ctd_out" ftype="xml"> | |
19548 <assert_contents> | |
19549 <is_valid_xml/> | |
19550 </assert_contents> | |
19551 </output> | |
19552 </test> | |
19553 <test expect_num_outputs="3"> | |
19554 <conditional name="adv_opts_cond"> | |
19555 <param name="adv_opts_selector" value="advanced"/> | |
19556 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
19557 <param name="sort_swath_maps" value="false"/> | |
19558 <param name="use_ms1_traces" value="true"/> | |
19559 <param name="enable_uis_scoring" value="false"/> | |
19560 <param name="out_chrom_type" value="mzML"/> | |
19561 <param name="min_upper_edge_dist" value="0.0"/> | |
19562 <param name="extra_rt_extraction_window" value="0.0"/> | |
19563 <param name="mz_extraction_window_unit" value="Th"/> | |
19564 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
19565 <param name="use_ms1_ion_mobility" value="true"/> | |
19566 <param name="matching_window_only" value="false"/> | |
19567 <param name="irt_mz_extraction_window" value="0.05"/> | |
19568 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
19569 <param name="irt_im_extraction_window" value="-1.0"/> | |
19570 <param name="min_rsq" value="0.95"/> | |
19571 <param name="min_coverage" value="0.6"/> | |
19572 <param name="split_file_input" value="false"/> | |
19573 <param name="use_elution_model_score" value="false"/> | |
19574 <param name="readOptions" value="cache"/> | |
19575 <param name="mz_correction_function" value="none"/> | |
19576 <param name="extraction_function" value="tophat"/> | |
19577 <param name="batchSize" value="250"/> | |
19578 <param name="ms1_isotopes" value="0"/> | |
19579 <param name="force" value="false"/> | |
19580 <param name="test" value="true"/> | |
19581 </conditional> | |
19582 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
19583 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
19584 <param name="tr_type" value=""/> | |
19585 <output name="out_features" file="OpenSwathWorkflow_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
19586 <output name="out_chrom" file="OpenSwathWorkflow_3_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19587 <param name="sonar" value="false"/> | |
19588 <param name="rt_extraction_window" value="600.0"/> | |
19589 <param name="ion_mobility_window" value="-1.0"/> | |
19590 <param name="mz_extraction_window" value="0.05"/> | |
19591 <param name="mz_extraction_window_ms1" value="0.05"/> | |
19592 <param name="im_extraction_window_ms1" value="-1.0"/> | |
19593 <section name="Debugging"/> | |
19594 <section name="Calibration"> | |
19595 <param name="ms1_im_calibration" value="false"/> | |
19596 <param name="im_correction_function" value="linear"/> | |
19597 <param name="debug_im_file" value=""/> | |
19598 <param name="debug_mz_file" value=""/> | |
19599 </section> | |
19600 <section name="Library"> | |
19601 <param name="retentionTimeInterpretation" value="iRT"/> | |
19602 <param name="override_group_label_check" value="false"/> | |
19603 <param name="force_invalid_mods" value="false"/> | |
19604 </section> | |
19605 <section name="RTNormalization"> | |
19606 <param name="alignmentMethod" value="linear"/> | |
19607 <param name="outlierMethod" value="iter_residual"/> | |
19608 <param name="useIterativeChauvenet" value="false"/> | |
19609 <param name="RANSACMaxIterations" value="1000"/> | |
19610 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19611 <param name="RANSACSamplingSize" value="10"/> | |
19612 <param name="estimateBestPeptides" value="false"/> | |
19613 <param name="InitialQualityCutoff" value="0.5"/> | |
19614 <param name="OverallQualityCutoff" value="5.5"/> | |
19615 <param name="NrRTBins" value="10"/> | |
19616 <param name="MinPeptidesPerBin" value="1"/> | |
19617 <param name="MinBinsFilled" value="8"/> | |
19618 <section name="lowess"> | |
19619 <param name="span" value="0.666666666666667"/> | |
19620 </section> | |
19621 <section name="b_spline"> | |
19622 <param name="num_nodes" value="5"/> | |
19623 </section> | |
19624 </section> | |
19625 <section name="Scoring"> | |
19626 <param name="stop_report_after_feature" value="5"/> | |
19627 <param name="rt_normalization_factor" value="100.0"/> | |
19628 <param name="quantification_cutoff" value="0.0"/> | |
19629 <param name="write_convex_hull" value="false"/> | |
19630 <param name="spectrum_addition_method" value="simple"/> | |
19631 <param name="add_up_spectra" value="1"/> | |
19632 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19633 <param name="uis_threshold_sn" value="0"/> | |
19634 <param name="uis_threshold_peak_area" value="0"/> | |
19635 <param name="scoring_model" value="default"/> | |
19636 <param name="im_extra_drift" value="0.0"/> | |
19637 <section name="TransitionGroupPicker"> | |
19638 <param name="stop_after_feature" value="-1"/> | |
19639 <param name="min_peak_width" value="-1.0"/> | |
19640 <param name="peak_integration" value="original"/> | |
19641 <param name="background_subtraction" value="none"/> | |
19642 <param name="recalculate_peaks" value="true"/> | |
19643 <param name="use_precursors" value="false"/> | |
19644 <param name="use_consensus" value="true"/> | |
19645 <param name="recalculate_peaks_max_z" value="0.75"/> | |
19646 <param name="minimal_quality" value="-1.5"/> | |
19647 <param name="resample_boundary" value="15.0"/> | |
19648 <param name="compute_peak_quality" value="true"/> | |
19649 <param name="compute_peak_shape_metrics" value="false"/> | |
19650 <param name="compute_total_mi" value="false"/> | |
19651 <param name="boundary_selection_method" value="largest"/> | |
19652 <section name="PeakPickerMRM"> | |
19653 <param name="sgolay_frame_length" value="11"/> | |
19654 <param name="sgolay_polynomial_order" value="3"/> | |
19655 <param name="gauss_width" value="30.0"/> | |
19656 <param name="use_gauss" value="false"/> | |
19657 <param name="peak_width" value="-1.0"/> | |
19658 <param name="signal_to_noise" value="0.1"/> | |
19659 <param name="write_sn_log_messages" value="false"/> | |
19660 <param name="remove_overlapping_peaks" value="true"/> | |
19661 <param name="method" value="corrected"/> | |
19662 </section> | |
19663 <section name="PeakIntegrator"> | |
19664 <param name="integration_type" value="intensity_sum"/> | |
19665 <param name="baseline_type" value="base_to_base"/> | |
19666 <param name="fit_EMG" value="false"/> | |
19667 </section> | |
19668 </section> | |
19669 <section name="DIAScoring"> | |
19670 <param name="dia_extraction_window" value="0.05"/> | |
19671 <param name="dia_extraction_unit" value="Th"/> | |
19672 <param name="dia_centroided" value="false"/> | |
19673 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19674 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19675 <param name="dia_nr_isotopes" value="4"/> | |
19676 <param name="dia_nr_charges" value="4"/> | |
19677 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19678 </section> | |
19679 <section name="EMGScoring"> | |
19680 <param name="max_iteration" value="10"/> | |
19681 </section> | |
19682 <section name="Scores"> | |
19683 <param name="use_shape_score" value="true"/> | |
19684 <param name="use_coelution_score" value="true"/> | |
19685 <param name="use_rt_score" value="true"/> | |
19686 <param name="use_library_score" value="true"/> | |
19687 <param name="use_intensity_score" value="true"/> | |
19688 <param name="use_nr_peaks_score" value="true"/> | |
19689 <param name="use_total_xic_score" value="true"/> | |
19690 <param name="use_total_mi_score" value="false"/> | |
19691 <param name="use_sn_score" value="true"/> | |
19692 <param name="use_mi_score" value="false"/> | |
19693 <param name="use_dia_scores" value="true"/> | |
19694 <param name="use_ms1_correlation" value="false"/> | |
19695 <param name="use_sonar_scores" value="false"/> | |
19696 <param name="use_ion_mobility_scores" value="false"/> | |
19697 <param name="use_ms1_fullscan" value="false"/> | |
19698 <param name="use_ms1_mi" value="false"/> | |
19699 <param name="use_uis_scores" value="false"/> | |
19700 </section> | |
19701 </section> | |
19702 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
19703 <output name="ctd_out" ftype="xml"> | |
19704 <assert_contents> | |
19705 <is_valid_xml/> | |
19706 </assert_contents> | |
19707 </output> | |
19708 </test> | |
19709 <test expect_num_outputs="3"> | |
19710 <conditional name="adv_opts_cond"> | |
19711 <param name="adv_opts_selector" value="advanced"/> | |
19712 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
19713 <param name="sort_swath_maps" value="false"/> | |
19714 <param name="use_ms1_traces" value="true"/> | |
19715 <param name="enable_uis_scoring" value="false"/> | |
19716 <param name="out_chrom_type" value="mzML"/> | |
19717 <param name="min_upper_edge_dist" value="0.0"/> | |
19718 <param name="extra_rt_extraction_window" value="0.0"/> | |
19719 <param name="mz_extraction_window_unit" value="Th"/> | |
19720 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
19721 <param name="use_ms1_ion_mobility" value="true"/> | |
19722 <param name="matching_window_only" value="false"/> | |
19723 <param name="irt_mz_extraction_window" value="0.05"/> | |
19724 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
19725 <param name="irt_im_extraction_window" value="-1.0"/> | |
19726 <param name="min_rsq" value="0.95"/> | |
19727 <param name="min_coverage" value="0.6"/> | |
19728 <param name="split_file_input" value="false"/> | |
19729 <param name="use_elution_model_score" value="false"/> | |
19730 <param name="readOptions" value="cacheWorkingInMemory"/> | |
19731 <param name="mz_correction_function" value="none"/> | |
19732 <param name="extraction_function" value="tophat"/> | |
19733 <param name="batchSize" value="250"/> | |
19734 <param name="ms1_isotopes" value="0"/> | |
19735 <param name="force" value="false"/> | |
19736 <param name="test" value="true"/> | |
19737 </conditional> | |
19738 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
19739 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
19740 <param name="tr_type" value=""/> | |
19741 <output name="out_features" file="OpenSwathWorkflow_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
19742 <output name="out_chrom" file="OpenSwathWorkflow_3_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19743 <param name="sonar" value="false"/> | |
19744 <param name="rt_extraction_window" value="600.0"/> | |
19745 <param name="ion_mobility_window" value="-1.0"/> | |
19746 <param name="mz_extraction_window" value="0.05"/> | |
19747 <param name="mz_extraction_window_ms1" value="0.05"/> | |
19748 <param name="im_extraction_window_ms1" value="-1.0"/> | |
19749 <section name="Debugging"/> | |
19750 <section name="Calibration"> | |
19751 <param name="ms1_im_calibration" value="false"/> | |
19752 <param name="im_correction_function" value="linear"/> | |
19753 <param name="debug_im_file" value=""/> | |
19754 <param name="debug_mz_file" value=""/> | |
19755 </section> | |
19756 <section name="Library"> | |
19757 <param name="retentionTimeInterpretation" value="iRT"/> | |
19758 <param name="override_group_label_check" value="false"/> | |
19759 <param name="force_invalid_mods" value="false"/> | |
19760 </section> | |
19761 <section name="RTNormalization"> | |
19762 <param name="alignmentMethod" value="linear"/> | |
19763 <param name="outlierMethod" value="iter_residual"/> | |
19764 <param name="useIterativeChauvenet" value="false"/> | |
19765 <param name="RANSACMaxIterations" value="1000"/> | |
19766 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19767 <param name="RANSACSamplingSize" value="10"/> | |
19768 <param name="estimateBestPeptides" value="false"/> | |
19769 <param name="InitialQualityCutoff" value="0.5"/> | |
19770 <param name="OverallQualityCutoff" value="5.5"/> | |
19771 <param name="NrRTBins" value="10"/> | |
19772 <param name="MinPeptidesPerBin" value="1"/> | |
19773 <param name="MinBinsFilled" value="8"/> | |
19774 <section name="lowess"> | |
19775 <param name="span" value="0.666666666666667"/> | |
19776 </section> | |
19777 <section name="b_spline"> | |
19778 <param name="num_nodes" value="5"/> | |
19779 </section> | |
19780 </section> | |
19781 <section name="Scoring"> | |
19782 <param name="stop_report_after_feature" value="5"/> | |
19783 <param name="rt_normalization_factor" value="100.0"/> | |
19784 <param name="quantification_cutoff" value="0.0"/> | |
19785 <param name="write_convex_hull" value="false"/> | |
19786 <param name="spectrum_addition_method" value="simple"/> | |
19787 <param name="add_up_spectra" value="1"/> | |
19788 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19789 <param name="uis_threshold_sn" value="0"/> | |
19790 <param name="uis_threshold_peak_area" value="0"/> | |
19791 <param name="scoring_model" value="default"/> | |
19792 <param name="im_extra_drift" value="0.0"/> | |
19793 <section name="TransitionGroupPicker"> | |
19794 <param name="stop_after_feature" value="-1"/> | |
19795 <param name="min_peak_width" value="-1.0"/> | |
19796 <param name="peak_integration" value="original"/> | |
19797 <param name="background_subtraction" value="none"/> | |
19798 <param name="recalculate_peaks" value="true"/> | |
19799 <param name="use_precursors" value="false"/> | |
19800 <param name="use_consensus" value="true"/> | |
19801 <param name="recalculate_peaks_max_z" value="0.75"/> | |
19802 <param name="minimal_quality" value="-1.5"/> | |
19803 <param name="resample_boundary" value="15.0"/> | |
19804 <param name="compute_peak_quality" value="true"/> | |
19805 <param name="compute_peak_shape_metrics" value="false"/> | |
19806 <param name="compute_total_mi" value="false"/> | |
19807 <param name="boundary_selection_method" value="largest"/> | |
19808 <section name="PeakPickerMRM"> | |
19809 <param name="sgolay_frame_length" value="11"/> | |
19810 <param name="sgolay_polynomial_order" value="3"/> | |
19811 <param name="gauss_width" value="30.0"/> | |
19812 <param name="use_gauss" value="false"/> | |
19813 <param name="peak_width" value="-1.0"/> | |
19814 <param name="signal_to_noise" value="0.1"/> | |
19815 <param name="write_sn_log_messages" value="false"/> | |
19816 <param name="remove_overlapping_peaks" value="true"/> | |
19817 <param name="method" value="corrected"/> | |
19818 </section> | |
19819 <section name="PeakIntegrator"> | |
19820 <param name="integration_type" value="intensity_sum"/> | |
19821 <param name="baseline_type" value="base_to_base"/> | |
19822 <param name="fit_EMG" value="false"/> | |
19823 </section> | |
19824 </section> | |
19825 <section name="DIAScoring"> | |
19826 <param name="dia_extraction_window" value="0.05"/> | |
19827 <param name="dia_extraction_unit" value="Th"/> | |
19828 <param name="dia_centroided" value="false"/> | |
19829 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19830 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19831 <param name="dia_nr_isotopes" value="4"/> | |
19832 <param name="dia_nr_charges" value="4"/> | |
19833 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19834 </section> | |
19835 <section name="EMGScoring"> | |
19836 <param name="max_iteration" value="10"/> | |
19837 </section> | |
19838 <section name="Scores"> | |
19839 <param name="use_shape_score" value="true"/> | |
19840 <param name="use_coelution_score" value="true"/> | |
19841 <param name="use_rt_score" value="true"/> | |
19842 <param name="use_library_score" value="true"/> | |
19843 <param name="use_intensity_score" value="true"/> | |
19844 <param name="use_nr_peaks_score" value="true"/> | |
19845 <param name="use_total_xic_score" value="true"/> | |
19846 <param name="use_total_mi_score" value="false"/> | |
19847 <param name="use_sn_score" value="true"/> | |
19848 <param name="use_mi_score" value="false"/> | |
19849 <param name="use_dia_scores" value="true"/> | |
19850 <param name="use_ms1_correlation" value="false"/> | |
19851 <param name="use_sonar_scores" value="false"/> | |
19852 <param name="use_ion_mobility_scores" value="false"/> | |
19853 <param name="use_ms1_fullscan" value="false"/> | |
19854 <param name="use_ms1_mi" value="false"/> | |
19855 <param name="use_uis_scores" value="false"/> | |
19856 </section> | |
19857 </section> | |
19858 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
19859 <output name="ctd_out" ftype="xml"> | |
19860 <assert_contents> | |
19861 <is_valid_xml/> | |
19862 </assert_contents> | |
19863 </output> | |
19864 </test> | |
19865 <test expect_num_outputs="3"> | |
19866 <conditional name="adv_opts_cond"> | |
19867 <param name="adv_opts_selector" value="advanced"/> | |
19868 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
19869 <param name="swath_windows_file" value="swath_windows.txt" ftype="txt"/> | |
19870 <param name="sort_swath_maps" value="false"/> | |
19871 <param name="use_ms1_traces" value="true"/> | |
19872 <param name="enable_uis_scoring" value="false"/> | |
19873 <param name="out_chrom_type" value="mzML"/> | |
19874 <param name="min_upper_edge_dist" value="0.0"/> | |
19875 <param name="extra_rt_extraction_window" value="0.0"/> | |
19876 <param name="mz_extraction_window_unit" value="Th"/> | |
19877 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
19878 <param name="use_ms1_ion_mobility" value="true"/> | |
19879 <param name="matching_window_only" value="false"/> | |
19880 <param name="irt_mz_extraction_window" value="0.05"/> | |
19881 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
19882 <param name="irt_im_extraction_window" value="-1.0"/> | |
19883 <param name="min_rsq" value="0.95"/> | |
19884 <param name="min_coverage" value="0.6"/> | |
19885 <param name="split_file_input" value="false"/> | |
19886 <param name="use_elution_model_score" value="false"/> | |
19887 <param name="readOptions" value="normal"/> | |
19888 <param name="mz_correction_function" value="none"/> | |
19889 <param name="extraction_function" value="tophat"/> | |
19890 <param name="batchSize" value="250"/> | |
19891 <param name="ms1_isotopes" value="0"/> | |
19892 <param name="force" value="false"/> | |
19893 <param name="test" value="true"/> | |
19894 </conditional> | |
19895 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
19896 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
19897 <param name="tr_type" value=""/> | |
19898 <output name="out_features" file="OpenSwathWorkflow_3_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
19899 <output name="out_chrom" file="OpenSwathWorkflow_3_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
19900 <param name="sonar" value="false"/> | |
19901 <param name="rt_extraction_window" value="600.0"/> | |
19902 <param name="ion_mobility_window" value="-1.0"/> | |
19903 <param name="mz_extraction_window" value="0.05"/> | |
19904 <param name="mz_extraction_window_ms1" value="0.05"/> | |
19905 <param name="im_extraction_window_ms1" value="-1.0"/> | |
19906 <section name="Debugging"/> | |
19907 <section name="Calibration"> | |
19908 <param name="ms1_im_calibration" value="false"/> | |
19909 <param name="im_correction_function" value="linear"/> | |
19910 <param name="debug_im_file" value=""/> | |
19911 <param name="debug_mz_file" value=""/> | |
19912 </section> | |
19913 <section name="Library"> | |
19914 <param name="retentionTimeInterpretation" value="iRT"/> | |
19915 <param name="override_group_label_check" value="false"/> | |
19916 <param name="force_invalid_mods" value="false"/> | |
19917 </section> | |
19918 <section name="RTNormalization"> | |
19919 <param name="alignmentMethod" value="linear"/> | |
19920 <param name="outlierMethod" value="iter_residual"/> | |
19921 <param name="useIterativeChauvenet" value="false"/> | |
19922 <param name="RANSACMaxIterations" value="1000"/> | |
19923 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
19924 <param name="RANSACSamplingSize" value="10"/> | |
19925 <param name="estimateBestPeptides" value="false"/> | |
19926 <param name="InitialQualityCutoff" value="0.5"/> | |
19927 <param name="OverallQualityCutoff" value="5.5"/> | |
19928 <param name="NrRTBins" value="10"/> | |
19929 <param name="MinPeptidesPerBin" value="1"/> | |
19930 <param name="MinBinsFilled" value="8"/> | |
19931 <section name="lowess"> | |
19932 <param name="span" value="0.666666666666667"/> | |
19933 </section> | |
19934 <section name="b_spline"> | |
19935 <param name="num_nodes" value="5"/> | |
19936 </section> | |
19937 </section> | |
19938 <section name="Scoring"> | |
19939 <param name="stop_report_after_feature" value="5"/> | |
19940 <param name="rt_normalization_factor" value="100.0"/> | |
19941 <param name="quantification_cutoff" value="0.0"/> | |
19942 <param name="write_convex_hull" value="false"/> | |
19943 <param name="spectrum_addition_method" value="simple"/> | |
19944 <param name="add_up_spectra" value="1"/> | |
19945 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
19946 <param name="uis_threshold_sn" value="0"/> | |
19947 <param name="uis_threshold_peak_area" value="0"/> | |
19948 <param name="scoring_model" value="default"/> | |
19949 <param name="im_extra_drift" value="0.0"/> | |
19950 <section name="TransitionGroupPicker"> | |
19951 <param name="stop_after_feature" value="-1"/> | |
19952 <param name="min_peak_width" value="-1.0"/> | |
19953 <param name="peak_integration" value="original"/> | |
19954 <param name="background_subtraction" value="none"/> | |
19955 <param name="recalculate_peaks" value="true"/> | |
19956 <param name="use_precursors" value="false"/> | |
19957 <param name="use_consensus" value="true"/> | |
19958 <param name="recalculate_peaks_max_z" value="0.75"/> | |
19959 <param name="minimal_quality" value="-1.5"/> | |
19960 <param name="resample_boundary" value="15.0"/> | |
19961 <param name="compute_peak_quality" value="true"/> | |
19962 <param name="compute_peak_shape_metrics" value="false"/> | |
19963 <param name="compute_total_mi" value="false"/> | |
19964 <param name="boundary_selection_method" value="largest"/> | |
19965 <section name="PeakPickerMRM"> | |
19966 <param name="sgolay_frame_length" value="11"/> | |
19967 <param name="sgolay_polynomial_order" value="3"/> | |
19968 <param name="gauss_width" value="30.0"/> | |
19969 <param name="use_gauss" value="false"/> | |
19970 <param name="peak_width" value="-1.0"/> | |
19971 <param name="signal_to_noise" value="0.1"/> | |
19972 <param name="write_sn_log_messages" value="false"/> | |
19973 <param name="remove_overlapping_peaks" value="true"/> | |
19974 <param name="method" value="corrected"/> | |
19975 </section> | |
19976 <section name="PeakIntegrator"> | |
19977 <param name="integration_type" value="intensity_sum"/> | |
19978 <param name="baseline_type" value="base_to_base"/> | |
19979 <param name="fit_EMG" value="false"/> | |
19980 </section> | |
19981 </section> | |
19982 <section name="DIAScoring"> | |
19983 <param name="dia_extraction_window" value="0.05"/> | |
19984 <param name="dia_extraction_unit" value="Th"/> | |
19985 <param name="dia_centroided" value="false"/> | |
19986 <param name="dia_byseries_intensity_min" value="300.0"/> | |
19987 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
19988 <param name="dia_nr_isotopes" value="4"/> | |
19989 <param name="dia_nr_charges" value="4"/> | |
19990 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
19991 </section> | |
19992 <section name="EMGScoring"> | |
19993 <param name="max_iteration" value="10"/> | |
19994 </section> | |
19995 <section name="Scores"> | |
19996 <param name="use_shape_score" value="true"/> | |
19997 <param name="use_coelution_score" value="true"/> | |
19998 <param name="use_rt_score" value="true"/> | |
19999 <param name="use_library_score" value="true"/> | |
20000 <param name="use_intensity_score" value="true"/> | |
20001 <param name="use_nr_peaks_score" value="true"/> | |
20002 <param name="use_total_xic_score" value="true"/> | |
20003 <param name="use_total_mi_score" value="false"/> | |
20004 <param name="use_sn_score" value="true"/> | |
20005 <param name="use_mi_score" value="false"/> | |
20006 <param name="use_dia_scores" value="true"/> | |
20007 <param name="use_ms1_correlation" value="false"/> | |
20008 <param name="use_sonar_scores" value="false"/> | |
20009 <param name="use_ion_mobility_scores" value="false"/> | |
20010 <param name="use_ms1_fullscan" value="false"/> | |
20011 <param name="use_ms1_mi" value="false"/> | |
20012 <param name="use_uis_scores" value="false"/> | |
20013 </section> | |
20014 </section> | |
20015 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20016 <output name="ctd_out" ftype="xml"> | |
20017 <assert_contents> | |
20018 <is_valid_xml/> | |
20019 </assert_contents> | |
20020 </output> | |
20021 </test> | |
20022 <test expect_num_outputs="3"> | |
20023 <conditional name="adv_opts_cond"> | |
20024 <param name="adv_opts_selector" value="advanced"/> | |
20025 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20026 <param name="swath_windows_file" value="swath_windows_overlap.txt" ftype="txt"/> | |
20027 <param name="sort_swath_maps" value="false"/> | |
20028 <param name="use_ms1_traces" value="true"/> | |
20029 <param name="enable_uis_scoring" value="false"/> | |
20030 <param name="out_chrom_type" value="mzML"/> | |
20031 <param name="min_upper_edge_dist" value="0.0"/> | |
20032 <param name="extra_rt_extraction_window" value="0.0"/> | |
20033 <param name="mz_extraction_window_unit" value="Th"/> | |
20034 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
20035 <param name="use_ms1_ion_mobility" value="true"/> | |
20036 <param name="matching_window_only" value="false"/> | |
20037 <param name="irt_mz_extraction_window" value="0.05"/> | |
20038 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
20039 <param name="irt_im_extraction_window" value="-1.0"/> | |
20040 <param name="min_rsq" value="0.95"/> | |
20041 <param name="min_coverage" value="0.6"/> | |
20042 <param name="split_file_input" value="false"/> | |
20043 <param name="use_elution_model_score" value="false"/> | |
20044 <param name="readOptions" value="normal"/> | |
20045 <param name="mz_correction_function" value="none"/> | |
20046 <param name="extraction_function" value="tophat"/> | |
20047 <param name="batchSize" value="250"/> | |
20048 <param name="ms1_isotopes" value="0"/> | |
20049 <param name="force" value="true"/> | |
20050 <param name="test" value="true"/> | |
20051 </conditional> | |
20052 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
20053 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
20054 <param name="tr_type" value=""/> | |
20055 <output name="out_features" file="OpenSwathWorkflow_10.featureXML.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20056 <output name="out_chrom" file="OpenSwathWorkflow_10.chrom.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
20057 <param name="sonar" value="false"/> | |
20058 <param name="rt_extraction_window" value="600.0"/> | |
20059 <param name="ion_mobility_window" value="-1.0"/> | |
20060 <param name="mz_extraction_window" value="0.05"/> | |
20061 <param name="mz_extraction_window_ms1" value="0.05"/> | |
20062 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20063 <section name="Debugging"/> | |
20064 <section name="Calibration"> | |
20065 <param name="ms1_im_calibration" value="false"/> | |
20066 <param name="im_correction_function" value="linear"/> | |
20067 <param name="debug_im_file" value=""/> | |
20068 <param name="debug_mz_file" value=""/> | |
20069 </section> | |
20070 <section name="Library"> | |
20071 <param name="retentionTimeInterpretation" value="iRT"/> | |
20072 <param name="override_group_label_check" value="false"/> | |
20073 <param name="force_invalid_mods" value="false"/> | |
20074 </section> | |
20075 <section name="RTNormalization"> | |
20076 <param name="alignmentMethod" value="linear"/> | |
20077 <param name="outlierMethod" value="iter_residual"/> | |
20078 <param name="useIterativeChauvenet" value="false"/> | |
20079 <param name="RANSACMaxIterations" value="1000"/> | |
20080 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20081 <param name="RANSACSamplingSize" value="10"/> | |
20082 <param name="estimateBestPeptides" value="false"/> | |
20083 <param name="InitialQualityCutoff" value="0.5"/> | |
20084 <param name="OverallQualityCutoff" value="5.5"/> | |
20085 <param name="NrRTBins" value="10"/> | |
20086 <param name="MinPeptidesPerBin" value="1"/> | |
20087 <param name="MinBinsFilled" value="8"/> | |
20088 <section name="lowess"> | |
20089 <param name="span" value="0.666666666666667"/> | |
20090 </section> | |
20091 <section name="b_spline"> | |
20092 <param name="num_nodes" value="5"/> | |
20093 </section> | |
20094 </section> | |
20095 <section name="Scoring"> | |
20096 <param name="stop_report_after_feature" value="5"/> | |
20097 <param name="rt_normalization_factor" value="100.0"/> | |
20098 <param name="quantification_cutoff" value="0.0"/> | |
20099 <param name="write_convex_hull" value="false"/> | |
20100 <param name="spectrum_addition_method" value="simple"/> | |
20101 <param name="add_up_spectra" value="1"/> | |
20102 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20103 <param name="uis_threshold_sn" value="0"/> | |
20104 <param name="uis_threshold_peak_area" value="0"/> | |
20105 <param name="scoring_model" value="default"/> | |
20106 <param name="im_extra_drift" value="0.0"/> | |
20107 <section name="TransitionGroupPicker"> | |
20108 <param name="stop_after_feature" value="-1"/> | |
20109 <param name="min_peak_width" value="-1.0"/> | |
20110 <param name="peak_integration" value="original"/> | |
20111 <param name="background_subtraction" value="none"/> | |
20112 <param name="recalculate_peaks" value="true"/> | |
20113 <param name="use_precursors" value="false"/> | |
20114 <param name="use_consensus" value="true"/> | |
20115 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20116 <param name="minimal_quality" value="-1.5"/> | |
20117 <param name="resample_boundary" value="15.0"/> | |
20118 <param name="compute_peak_quality" value="true"/> | |
20119 <param name="compute_peak_shape_metrics" value="false"/> | |
20120 <param name="compute_total_mi" value="false"/> | |
20121 <param name="boundary_selection_method" value="largest"/> | |
20122 <section name="PeakPickerMRM"> | |
20123 <param name="sgolay_frame_length" value="11"/> | |
20124 <param name="sgolay_polynomial_order" value="3"/> | |
20125 <param name="gauss_width" value="30.0"/> | |
20126 <param name="use_gauss" value="false"/> | |
20127 <param name="peak_width" value="-1.0"/> | |
20128 <param name="signal_to_noise" value="0.1"/> | |
20129 <param name="write_sn_log_messages" value="false"/> | |
20130 <param name="remove_overlapping_peaks" value="true"/> | |
20131 <param name="method" value="corrected"/> | |
20132 </section> | |
20133 <section name="PeakIntegrator"> | |
20134 <param name="integration_type" value="intensity_sum"/> | |
20135 <param name="baseline_type" value="base_to_base"/> | |
20136 <param name="fit_EMG" value="false"/> | |
20137 </section> | |
20138 </section> | |
20139 <section name="DIAScoring"> | |
20140 <param name="dia_extraction_window" value="0.05"/> | |
20141 <param name="dia_extraction_unit" value="Th"/> | |
20142 <param name="dia_centroided" value="false"/> | |
20143 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20144 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20145 <param name="dia_nr_isotopes" value="4"/> | |
20146 <param name="dia_nr_charges" value="4"/> | |
20147 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20148 </section> | |
20149 <section name="EMGScoring"> | |
20150 <param name="max_iteration" value="10"/> | |
20151 </section> | |
20152 <section name="Scores"> | |
20153 <param name="use_shape_score" value="true"/> | |
20154 <param name="use_coelution_score" value="true"/> | |
20155 <param name="use_rt_score" value="true"/> | |
20156 <param name="use_library_score" value="true"/> | |
20157 <param name="use_intensity_score" value="true"/> | |
20158 <param name="use_nr_peaks_score" value="true"/> | |
20159 <param name="use_total_xic_score" value="true"/> | |
20160 <param name="use_total_mi_score" value="false"/> | |
20161 <param name="use_sn_score" value="true"/> | |
20162 <param name="use_mi_score" value="false"/> | |
20163 <param name="use_dia_scores" value="true"/> | |
20164 <param name="use_ms1_correlation" value="false"/> | |
20165 <param name="use_sonar_scores" value="false"/> | |
20166 <param name="use_ion_mobility_scores" value="false"/> | |
20167 <param name="use_ms1_fullscan" value="false"/> | |
20168 <param name="use_ms1_mi" value="false"/> | |
20169 <param name="use_uis_scores" value="false"/> | |
20170 </section> | |
20171 </section> | |
20172 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20173 <output name="ctd_out" ftype="xml"> | |
20174 <assert_contents> | |
20175 <is_valid_xml/> | |
20176 </assert_contents> | |
20177 </output> | |
20178 </test> | |
20179 <test expect_num_outputs="3"> | |
20180 <conditional name="adv_opts_cond"> | |
20181 <param name="adv_opts_selector" value="advanced"/> | |
20182 <param name="sort_swath_maps" value="false"/> | |
20183 <param name="use_ms1_traces" value="false"/> | |
20184 <param name="enable_uis_scoring" value="false"/> | |
20185 <param name="out_chrom_type" value="mzML"/> | |
20186 <param name="min_upper_edge_dist" value="0.0"/> | |
20187 <param name="extra_rt_extraction_window" value="0.0"/> | |
20188 <param name="mz_extraction_window_unit" value="Th"/> | |
20189 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
20190 <param name="use_ms1_ion_mobility" value="true"/> | |
20191 <param name="matching_window_only" value="false"/> | |
20192 <param name="irt_mz_extraction_window" value="550.0"/> | |
20193 <param name="irt_mz_extraction_window_unit" value="ppm"/> | |
20194 <param name="irt_im_extraction_window" value="-1.0"/> | |
20195 <param name="min_rsq" value="0.95"/> | |
20196 <param name="min_coverage" value="0.6"/> | |
20197 <param name="split_file_input" value="false"/> | |
20198 <param name="use_elution_model_score" value="false"/> | |
20199 <param name="readOptions" value="normal"/> | |
20200 <param name="mz_correction_function" value="quadratic_regression_delta_ppm"/> | |
20201 <param name="extraction_function" value="tophat"/> | |
20202 <param name="batchSize" value="250"/> | |
20203 <param name="ms1_isotopes" value="0"/> | |
20204 <param name="force" value="false"/> | |
20205 <param name="test" value="true"/> | |
20206 </conditional> | |
20207 <param name="in" value="OpenSwathWorkflow_11_input.mzML"/> | |
20208 <param name="tr" value="OpenSwathWorkflow_11_input_2.TraML"/> | |
20209 <param name="tr_type" value=""/> | |
20210 <param name="tr_irt" value="OpenSwathWorkflow_11_input.TraML"/> | |
20211 <output name="out_features" file="OpenSwathWorkflow_11_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20212 <output name="out_chrom" file="OpenSwathWorkflow_11_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
20213 <param name="sonar" value="true"/> | |
20214 <param name="rt_extraction_window" value="-1.0"/> | |
20215 <param name="ion_mobility_window" value="-1.0"/> | |
20216 <param name="mz_extraction_window" value="0.2"/> | |
20217 <param name="mz_extraction_window_ms1" value="0.05"/> | |
20218 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20219 <section name="Debugging"/> | |
20220 <section name="Calibration"> | |
20221 <param name="ms1_im_calibration" value="false"/> | |
20222 <param name="im_correction_function" value="linear"/> | |
20223 <param name="debug_im_file" value=""/> | |
20224 <param name="debug_mz_file" value=""/> | |
20225 </section> | |
20226 <section name="Library"> | |
20227 <param name="retentionTimeInterpretation" value="iRT"/> | |
20228 <param name="override_group_label_check" value="false"/> | |
20229 <param name="force_invalid_mods" value="false"/> | |
20230 </section> | |
20231 <section name="RTNormalization"> | |
20232 <param name="alignmentMethod" value="linear"/> | |
20233 <param name="outlierMethod" value="none"/> | |
20234 <param name="useIterativeChauvenet" value="false"/> | |
20235 <param name="RANSACMaxIterations" value="1000"/> | |
20236 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20237 <param name="RANSACSamplingSize" value="10"/> | |
20238 <param name="estimateBestPeptides" value="false"/> | |
20239 <param name="InitialQualityCutoff" value="0.5"/> | |
20240 <param name="OverallQualityCutoff" value="5.5"/> | |
20241 <param name="NrRTBins" value="10"/> | |
20242 <param name="MinPeptidesPerBin" value="1"/> | |
20243 <param name="MinBinsFilled" value="8"/> | |
20244 <section name="lowess"> | |
20245 <param name="span" value="0.666666666666667"/> | |
20246 </section> | |
20247 <section name="b_spline"> | |
20248 <param name="num_nodes" value="5"/> | |
20249 </section> | |
20250 </section> | |
20251 <section name="Scoring"> | |
20252 <param name="stop_report_after_feature" value="5"/> | |
20253 <param name="rt_normalization_factor" value="100.0"/> | |
20254 <param name="quantification_cutoff" value="0.0"/> | |
20255 <param name="write_convex_hull" value="false"/> | |
20256 <param name="spectrum_addition_method" value="simple"/> | |
20257 <param name="add_up_spectra" value="1"/> | |
20258 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20259 <param name="uis_threshold_sn" value="0"/> | |
20260 <param name="uis_threshold_peak_area" value="0"/> | |
20261 <param name="scoring_model" value="default"/> | |
20262 <param name="im_extra_drift" value="0.0"/> | |
20263 <section name="TransitionGroupPicker"> | |
20264 <param name="stop_after_feature" value="-1"/> | |
20265 <param name="min_peak_width" value="-1.0"/> | |
20266 <param name="peak_integration" value="original"/> | |
20267 <param name="background_subtraction" value="none"/> | |
20268 <param name="recalculate_peaks" value="true"/> | |
20269 <param name="use_precursors" value="false"/> | |
20270 <param name="use_consensus" value="true"/> | |
20271 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20272 <param name="minimal_quality" value="-1.5"/> | |
20273 <param name="resample_boundary" value="15.0"/> | |
20274 <param name="compute_peak_quality" value="true"/> | |
20275 <param name="compute_peak_shape_metrics" value="false"/> | |
20276 <param name="compute_total_mi" value="false"/> | |
20277 <param name="boundary_selection_method" value="largest"/> | |
20278 <section name="PeakPickerMRM"> | |
20279 <param name="sgolay_frame_length" value="11"/> | |
20280 <param name="sgolay_polynomial_order" value="3"/> | |
20281 <param name="gauss_width" value="30.0"/> | |
20282 <param name="use_gauss" value="false"/> | |
20283 <param name="peak_width" value="-1.0"/> | |
20284 <param name="signal_to_noise" value="0.1"/> | |
20285 <param name="write_sn_log_messages" value="false"/> | |
20286 <param name="remove_overlapping_peaks" value="true"/> | |
20287 <param name="method" value="corrected"/> | |
20288 </section> | |
20289 <section name="PeakIntegrator"> | |
20290 <param name="integration_type" value="intensity_sum"/> | |
20291 <param name="baseline_type" value="base_to_base"/> | |
20292 <param name="fit_EMG" value="false"/> | |
20293 </section> | |
20294 </section> | |
20295 <section name="DIAScoring"> | |
20296 <param name="dia_extraction_window" value="0.05"/> | |
20297 <param name="dia_extraction_unit" value="Th"/> | |
20298 <param name="dia_centroided" value="false"/> | |
20299 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20300 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20301 <param name="dia_nr_isotopes" value="4"/> | |
20302 <param name="dia_nr_charges" value="4"/> | |
20303 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20304 </section> | |
20305 <section name="EMGScoring"> | |
20306 <param name="max_iteration" value="10"/> | |
20307 </section> | |
20308 <section name="Scores"> | |
20309 <param name="use_shape_score" value="true"/> | |
20310 <param name="use_coelution_score" value="true"/> | |
20311 <param name="use_rt_score" value="true"/> | |
20312 <param name="use_library_score" value="true"/> | |
20313 <param name="use_intensity_score" value="true"/> | |
20314 <param name="use_nr_peaks_score" value="true"/> | |
20315 <param name="use_total_xic_score" value="true"/> | |
20316 <param name="use_total_mi_score" value="false"/> | |
20317 <param name="use_sn_score" value="true"/> | |
20318 <param name="use_mi_score" value="false"/> | |
20319 <param name="use_dia_scores" value="true"/> | |
20320 <param name="use_ms1_correlation" value="false"/> | |
20321 <param name="use_sonar_scores" value="true"/> | |
20322 <param name="use_ion_mobility_scores" value="false"/> | |
20323 <param name="use_ms1_fullscan" value="false"/> | |
20324 <param name="use_ms1_mi" value="false"/> | |
20325 <param name="use_uis_scores" value="false"/> | |
20326 </section> | |
20327 </section> | |
20328 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20329 <output name="ctd_out" ftype="xml"> | |
20330 <assert_contents> | |
20331 <is_valid_xml/> | |
20332 </assert_contents> | |
20333 </output> | |
20334 </test> | |
20335 <test expect_num_outputs="3"> | |
20336 <conditional name="adv_opts_cond"> | |
20337 <param name="adv_opts_selector" value="advanced"/> | |
20338 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20339 <param name="sort_swath_maps" value="false"/> | |
20340 <param name="use_ms1_traces" value="true"/> | |
20341 <param name="enable_uis_scoring" value="false"/> | |
20342 <param name="out_chrom_type" value="mzML"/> | |
20343 <param name="min_upper_edge_dist" value="0.0"/> | |
20344 <param name="extra_rt_extraction_window" value="0.0"/> | |
20345 <param name="mz_extraction_window_unit" value="Th"/> | |
20346 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
20347 <param name="use_ms1_ion_mobility" value="true"/> | |
20348 <param name="matching_window_only" value="false"/> | |
20349 <param name="irt_mz_extraction_window" value="0.05"/> | |
20350 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
20351 <param name="irt_im_extraction_window" value="-1.0"/> | |
20352 <param name="min_rsq" value="0.95"/> | |
20353 <param name="min_coverage" value="0.6"/> | |
20354 <param name="split_file_input" value="false"/> | |
20355 <param name="use_elution_model_score" value="false"/> | |
20356 <param name="readOptions" value="normal"/> | |
20357 <param name="mz_correction_function" value="none"/> | |
20358 <param name="extraction_function" value="tophat"/> | |
20359 <param name="batchSize" value="250"/> | |
20360 <param name="ms1_isotopes" value="0"/> | |
20361 <param name="force" value="false"/> | |
20362 <param name="test" value="true"/> | |
20363 </conditional> | |
20364 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
20365 <param name="tr" value="OpenSwathWorkflow_13_input.pqp.tmp"/> | |
20366 <param name="tr_type" value="pqp"/> | |
20367 <output name="out_osw" file="OpenSwathWorkflow_13.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
20368 <output name="out_chrom" file="OpenSwathWorkflow_13_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
20369 <param name="sonar" value="false"/> | |
20370 <param name="rt_extraction_window" value="600.0"/> | |
20371 <param name="ion_mobility_window" value="-1.0"/> | |
20372 <param name="mz_extraction_window" value="0.05"/> | |
20373 <param name="mz_extraction_window_ms1" value="0.05"/> | |
20374 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20375 <section name="Debugging"/> | |
20376 <section name="Calibration"> | |
20377 <param name="ms1_im_calibration" value="false"/> | |
20378 <param name="im_correction_function" value="linear"/> | |
20379 <param name="debug_im_file" value=""/> | |
20380 <param name="debug_mz_file" value=""/> | |
20381 </section> | |
20382 <section name="Library"> | |
20383 <param name="retentionTimeInterpretation" value="iRT"/> | |
20384 <param name="override_group_label_check" value="false"/> | |
20385 <param name="force_invalid_mods" value="false"/> | |
20386 </section> | |
20387 <section name="RTNormalization"> | |
20388 <param name="alignmentMethod" value="linear"/> | |
20389 <param name="outlierMethod" value="iter_residual"/> | |
20390 <param name="useIterativeChauvenet" value="false"/> | |
20391 <param name="RANSACMaxIterations" value="1000"/> | |
20392 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20393 <param name="RANSACSamplingSize" value="10"/> | |
20394 <param name="estimateBestPeptides" value="false"/> | |
20395 <param name="InitialQualityCutoff" value="0.5"/> | |
20396 <param name="OverallQualityCutoff" value="5.5"/> | |
20397 <param name="NrRTBins" value="10"/> | |
20398 <param name="MinPeptidesPerBin" value="1"/> | |
20399 <param name="MinBinsFilled" value="8"/> | |
20400 <section name="lowess"> | |
20401 <param name="span" value="0.666666666666667"/> | |
20402 </section> | |
20403 <section name="b_spline"> | |
20404 <param name="num_nodes" value="5"/> | |
20405 </section> | |
20406 </section> | |
20407 <section name="Scoring"> | |
20408 <param name="stop_report_after_feature" value="5"/> | |
20409 <param name="rt_normalization_factor" value="100.0"/> | |
20410 <param name="quantification_cutoff" value="0.0"/> | |
20411 <param name="write_convex_hull" value="false"/> | |
20412 <param name="spectrum_addition_method" value="simple"/> | |
20413 <param name="add_up_spectra" value="1"/> | |
20414 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20415 <param name="uis_threshold_sn" value="0"/> | |
20416 <param name="uis_threshold_peak_area" value="0"/> | |
20417 <param name="scoring_model" value="default"/> | |
20418 <param name="im_extra_drift" value="0.0"/> | |
20419 <section name="TransitionGroupPicker"> | |
20420 <param name="stop_after_feature" value="-1"/> | |
20421 <param name="min_peak_width" value="-1.0"/> | |
20422 <param name="peak_integration" value="original"/> | |
20423 <param name="background_subtraction" value="none"/> | |
20424 <param name="recalculate_peaks" value="true"/> | |
20425 <param name="use_precursors" value="false"/> | |
20426 <param name="use_consensus" value="true"/> | |
20427 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20428 <param name="minimal_quality" value="-1.5"/> | |
20429 <param name="resample_boundary" value="15.0"/> | |
20430 <param name="compute_peak_quality" value="true"/> | |
20431 <param name="compute_peak_shape_metrics" value="false"/> | |
20432 <param name="compute_total_mi" value="false"/> | |
20433 <param name="boundary_selection_method" value="largest"/> | |
20434 <section name="PeakPickerMRM"> | |
20435 <param name="sgolay_frame_length" value="11"/> | |
20436 <param name="sgolay_polynomial_order" value="3"/> | |
20437 <param name="gauss_width" value="30.0"/> | |
20438 <param name="use_gauss" value="false"/> | |
20439 <param name="peak_width" value="-1.0"/> | |
20440 <param name="signal_to_noise" value="0.1"/> | |
20441 <param name="write_sn_log_messages" value="false"/> | |
20442 <param name="remove_overlapping_peaks" value="true"/> | |
20443 <param name="method" value="corrected"/> | |
20444 </section> | |
20445 <section name="PeakIntegrator"> | |
20446 <param name="integration_type" value="intensity_sum"/> | |
20447 <param name="baseline_type" value="base_to_base"/> | |
20448 <param name="fit_EMG" value="false"/> | |
20449 </section> | |
20450 </section> | |
20451 <section name="DIAScoring"> | |
20452 <param name="dia_extraction_window" value="0.05"/> | |
20453 <param name="dia_extraction_unit" value="Th"/> | |
20454 <param name="dia_centroided" value="false"/> | |
20455 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20456 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20457 <param name="dia_nr_isotopes" value="4"/> | |
20458 <param name="dia_nr_charges" value="4"/> | |
20459 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20460 </section> | |
20461 <section name="EMGScoring"> | |
20462 <param name="max_iteration" value="10"/> | |
20463 </section> | |
20464 <section name="Scores"> | |
20465 <param name="use_shape_score" value="true"/> | |
20466 <param name="use_coelution_score" value="true"/> | |
20467 <param name="use_rt_score" value="true"/> | |
20468 <param name="use_library_score" value="true"/> | |
20469 <param name="use_intensity_score" value="true"/> | |
20470 <param name="use_nr_peaks_score" value="true"/> | |
20471 <param name="use_total_xic_score" value="true"/> | |
20472 <param name="use_total_mi_score" value="false"/> | |
20473 <param name="use_sn_score" value="true"/> | |
20474 <param name="use_mi_score" value="false"/> | |
20475 <param name="use_dia_scores" value="true"/> | |
20476 <param name="use_ms1_correlation" value="false"/> | |
20477 <param name="use_sonar_scores" value="false"/> | |
20478 <param name="use_ion_mobility_scores" value="false"/> | |
20479 <param name="use_ms1_fullscan" value="false"/> | |
20480 <param name="use_ms1_mi" value="false"/> | |
20481 <param name="use_uis_scores" value="false"/> | |
20482 </section> | |
20483 </section> | |
20484 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_osw_FLAG,out_chrom_FLAG"/> | |
20485 <output name="ctd_out" ftype="xml"> | |
20486 <assert_contents> | |
20487 <is_valid_xml/> | |
20488 </assert_contents> | |
20489 </output> | |
20490 </test> | |
20491 <test expect_num_outputs="3"> | |
20492 <conditional name="adv_opts_cond"> | |
20493 <param name="adv_opts_selector" value="advanced"/> | |
20494 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20495 <param name="sort_swath_maps" value="false"/> | |
20496 <param name="use_ms1_traces" value="true"/> | |
20497 <param name="enable_uis_scoring" value="false"/> | |
20498 <param name="out_chrom_type" value="sqMass"/> | |
20499 <param name="min_upper_edge_dist" value="0.0"/> | |
20500 <param name="extra_rt_extraction_window" value="0.0"/> | |
20501 <param name="mz_extraction_window_unit" value="Th"/> | |
20502 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
20503 <param name="use_ms1_ion_mobility" value="true"/> | |
20504 <param name="matching_window_only" value="false"/> | |
20505 <param name="irt_mz_extraction_window" value="0.05"/> | |
20506 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
20507 <param name="irt_im_extraction_window" value="-1.0"/> | |
20508 <param name="min_rsq" value="0.95"/> | |
20509 <param name="min_coverage" value="0.6"/> | |
20510 <param name="split_file_input" value="false"/> | |
20511 <param name="use_elution_model_score" value="false"/> | |
20512 <param name="readOptions" value="normal"/> | |
20513 <param name="mz_correction_function" value="none"/> | |
20514 <param name="extraction_function" value="tophat"/> | |
20515 <param name="batchSize" value="250"/> | |
20516 <param name="ms1_isotopes" value="0"/> | |
20517 <param name="force" value="false"/> | |
20518 <param name="test" value="true"/> | |
20519 </conditional> | |
20520 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
20521 <param name="tr" value="OpenSwathWorkflow_14_input.pqp.tmp"/> | |
20522 <param name="tr_type" value="pqp"/> | |
20523 <output name="out_osw" file="OpenSwathWorkflow_14.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
20524 <output name="out_chrom" file="OpenSwathWorkflow_14.chrom.tmp.sqMass" compare="sim_size" delta="5700" ftype="sqmass"/> | |
20525 <param name="sonar" value="false"/> | |
20526 <param name="rt_extraction_window" value="600.0"/> | |
20527 <param name="ion_mobility_window" value="-1.0"/> | |
20528 <param name="mz_extraction_window" value="0.05"/> | |
20529 <param name="mz_extraction_window_ms1" value="0.05"/> | |
20530 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20531 <section name="Debugging"/> | |
20532 <section name="Calibration"> | |
20533 <param name="ms1_im_calibration" value="false"/> | |
20534 <param name="im_correction_function" value="linear"/> | |
20535 <param name="debug_im_file" value=""/> | |
20536 <param name="debug_mz_file" value=""/> | |
20537 </section> | |
20538 <section name="Library"> | |
20539 <param name="retentionTimeInterpretation" value="iRT"/> | |
20540 <param name="override_group_label_check" value="false"/> | |
20541 <param name="force_invalid_mods" value="false"/> | |
20542 </section> | |
20543 <section name="RTNormalization"> | |
20544 <param name="alignmentMethod" value="linear"/> | |
20545 <param name="outlierMethod" value="iter_residual"/> | |
20546 <param name="useIterativeChauvenet" value="false"/> | |
20547 <param name="RANSACMaxIterations" value="1000"/> | |
20548 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20549 <param name="RANSACSamplingSize" value="10"/> | |
20550 <param name="estimateBestPeptides" value="false"/> | |
20551 <param name="InitialQualityCutoff" value="0.5"/> | |
20552 <param name="OverallQualityCutoff" value="5.5"/> | |
20553 <param name="NrRTBins" value="10"/> | |
20554 <param name="MinPeptidesPerBin" value="1"/> | |
20555 <param name="MinBinsFilled" value="8"/> | |
20556 <section name="lowess"> | |
20557 <param name="span" value="0.666666666666667"/> | |
20558 </section> | |
20559 <section name="b_spline"> | |
20560 <param name="num_nodes" value="5"/> | |
20561 </section> | |
20562 </section> | |
20563 <section name="Scoring"> | |
20564 <param name="stop_report_after_feature" value="5"/> | |
20565 <param name="rt_normalization_factor" value="100.0"/> | |
20566 <param name="quantification_cutoff" value="0.0"/> | |
20567 <param name="write_convex_hull" value="false"/> | |
20568 <param name="spectrum_addition_method" value="simple"/> | |
20569 <param name="add_up_spectra" value="1"/> | |
20570 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20571 <param name="uis_threshold_sn" value="0"/> | |
20572 <param name="uis_threshold_peak_area" value="0"/> | |
20573 <param name="scoring_model" value="default"/> | |
20574 <param name="im_extra_drift" value="0.0"/> | |
20575 <section name="TransitionGroupPicker"> | |
20576 <param name="stop_after_feature" value="-1"/> | |
20577 <param name="min_peak_width" value="-1.0"/> | |
20578 <param name="peak_integration" value="original"/> | |
20579 <param name="background_subtraction" value="none"/> | |
20580 <param name="recalculate_peaks" value="true"/> | |
20581 <param name="use_precursors" value="false"/> | |
20582 <param name="use_consensus" value="true"/> | |
20583 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20584 <param name="minimal_quality" value="-1.5"/> | |
20585 <param name="resample_boundary" value="15.0"/> | |
20586 <param name="compute_peak_quality" value="true"/> | |
20587 <param name="compute_peak_shape_metrics" value="false"/> | |
20588 <param name="compute_total_mi" value="false"/> | |
20589 <param name="boundary_selection_method" value="largest"/> | |
20590 <section name="PeakPickerMRM"> | |
20591 <param name="sgolay_frame_length" value="11"/> | |
20592 <param name="sgolay_polynomial_order" value="3"/> | |
20593 <param name="gauss_width" value="30.0"/> | |
20594 <param name="use_gauss" value="false"/> | |
20595 <param name="peak_width" value="-1.0"/> | |
20596 <param name="signal_to_noise" value="0.1"/> | |
20597 <param name="write_sn_log_messages" value="false"/> | |
20598 <param name="remove_overlapping_peaks" value="true"/> | |
20599 <param name="method" value="corrected"/> | |
20600 </section> | |
20601 <section name="PeakIntegrator"> | |
20602 <param name="integration_type" value="intensity_sum"/> | |
20603 <param name="baseline_type" value="base_to_base"/> | |
20604 <param name="fit_EMG" value="false"/> | |
20605 </section> | |
20606 </section> | |
20607 <section name="DIAScoring"> | |
20608 <param name="dia_extraction_window" value="0.05"/> | |
20609 <param name="dia_extraction_unit" value="Th"/> | |
20610 <param name="dia_centroided" value="false"/> | |
20611 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20612 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20613 <param name="dia_nr_isotopes" value="4"/> | |
20614 <param name="dia_nr_charges" value="4"/> | |
20615 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20616 </section> | |
20617 <section name="EMGScoring"> | |
20618 <param name="max_iteration" value="10"/> | |
20619 </section> | |
20620 <section name="Scores"> | |
20621 <param name="use_shape_score" value="true"/> | |
20622 <param name="use_coelution_score" value="true"/> | |
20623 <param name="use_rt_score" value="true"/> | |
20624 <param name="use_library_score" value="true"/> | |
20625 <param name="use_intensity_score" value="true"/> | |
20626 <param name="use_nr_peaks_score" value="true"/> | |
20627 <param name="use_total_xic_score" value="true"/> | |
20628 <param name="use_total_mi_score" value="false"/> | |
20629 <param name="use_sn_score" value="true"/> | |
20630 <param name="use_mi_score" value="false"/> | |
20631 <param name="use_dia_scores" value="true"/> | |
20632 <param name="use_ms1_correlation" value="false"/> | |
20633 <param name="use_sonar_scores" value="false"/> | |
20634 <param name="use_ion_mobility_scores" value="false"/> | |
20635 <param name="use_ms1_fullscan" value="false"/> | |
20636 <param name="use_ms1_mi" value="false"/> | |
20637 <param name="use_uis_scores" value="false"/> | |
20638 </section> | |
20639 </section> | |
20640 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_osw_FLAG,out_chrom_FLAG"/> | |
20641 <output name="ctd_out" ftype="xml"> | |
20642 <assert_contents> | |
20643 <is_valid_xml/> | |
20644 </assert_contents> | |
20645 </output> | |
20646 </test> | |
20647 <test expect_num_outputs="3"> | |
20648 <conditional name="adv_opts_cond"> | |
20649 <param name="adv_opts_selector" value="advanced"/> | |
20650 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20651 <param name="sort_swath_maps" value="false"/> | |
20652 <param name="use_ms1_traces" value="true"/> | |
20653 <param name="enable_uis_scoring" value="false"/> | |
20654 <param name="out_chrom_type" value="mzML"/> | |
20655 <param name="min_upper_edge_dist" value="0.0"/> | |
20656 <param name="extra_rt_extraction_window" value="0.0"/> | |
20657 <param name="mz_extraction_window_unit" value="Th"/> | |
20658 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
20659 <param name="use_ms1_ion_mobility" value="true"/> | |
20660 <param name="matching_window_only" value="false"/> | |
20661 <param name="irt_mz_extraction_window" value="0.05"/> | |
20662 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
20663 <param name="irt_im_extraction_window" value="-1.0"/> | |
20664 <param name="min_rsq" value="0.95"/> | |
20665 <param name="min_coverage" value="0.6"/> | |
20666 <param name="split_file_input" value="false"/> | |
20667 <param name="use_elution_model_score" value="false"/> | |
20668 <param name="readOptions" value="normal"/> | |
20669 <param name="mz_correction_function" value="none"/> | |
20670 <param name="extraction_function" value="tophat"/> | |
20671 <param name="batchSize" value="250"/> | |
20672 <param name="ms1_isotopes" value="2"/> | |
20673 <param name="force" value="false"/> | |
20674 <param name="test" value="true"/> | |
20675 </conditional> | |
20676 <param name="in" value="OpenSwathWorkflow_15_input.mzML"/> | |
20677 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
20678 <param name="tr_type" value=""/> | |
20679 <output name="out_features" file="OpenSwathWorkflow_15_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20680 <output name="out_chrom" file="OpenSwathWorkflow_15_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
20681 <param name="sonar" value="false"/> | |
20682 <param name="rt_extraction_window" value="600.0"/> | |
20683 <param name="ion_mobility_window" value="-1.0"/> | |
20684 <param name="mz_extraction_window" value="0.05"/> | |
20685 <param name="mz_extraction_window_ms1" value="0.05"/> | |
20686 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20687 <section name="Debugging"/> | |
20688 <section name="Calibration"> | |
20689 <param name="ms1_im_calibration" value="false"/> | |
20690 <param name="im_correction_function" value="linear"/> | |
20691 <param name="debug_im_file" value=""/> | |
20692 <param name="debug_mz_file" value=""/> | |
20693 </section> | |
20694 <section name="Library"> | |
20695 <param name="retentionTimeInterpretation" value="iRT"/> | |
20696 <param name="override_group_label_check" value="false"/> | |
20697 <param name="force_invalid_mods" value="false"/> | |
20698 </section> | |
20699 <section name="RTNormalization"> | |
20700 <param name="alignmentMethod" value="linear"/> | |
20701 <param name="outlierMethod" value="iter_residual"/> | |
20702 <param name="useIterativeChauvenet" value="false"/> | |
20703 <param name="RANSACMaxIterations" value="1000"/> | |
20704 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20705 <param name="RANSACSamplingSize" value="10"/> | |
20706 <param name="estimateBestPeptides" value="false"/> | |
20707 <param name="InitialQualityCutoff" value="0.5"/> | |
20708 <param name="OverallQualityCutoff" value="5.5"/> | |
20709 <param name="NrRTBins" value="10"/> | |
20710 <param name="MinPeptidesPerBin" value="1"/> | |
20711 <param name="MinBinsFilled" value="8"/> | |
20712 <section name="lowess"> | |
20713 <param name="span" value="0.666666666666667"/> | |
20714 </section> | |
20715 <section name="b_spline"> | |
20716 <param name="num_nodes" value="5"/> | |
20717 </section> | |
20718 </section> | |
20719 <section name="Scoring"> | |
20720 <param name="stop_report_after_feature" value="5"/> | |
20721 <param name="rt_normalization_factor" value="100.0"/> | |
20722 <param name="quantification_cutoff" value="0.0"/> | |
20723 <param name="write_convex_hull" value="false"/> | |
20724 <param name="spectrum_addition_method" value="simple"/> | |
20725 <param name="add_up_spectra" value="1"/> | |
20726 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20727 <param name="uis_threshold_sn" value="0"/> | |
20728 <param name="uis_threshold_peak_area" value="0"/> | |
20729 <param name="scoring_model" value="default"/> | |
20730 <param name="im_extra_drift" value="0.0"/> | |
20731 <section name="TransitionGroupPicker"> | |
20732 <param name="stop_after_feature" value="-1"/> | |
20733 <param name="min_peak_width" value="-1.0"/> | |
20734 <param name="peak_integration" value="original"/> | |
20735 <param name="background_subtraction" value="none"/> | |
20736 <param name="recalculate_peaks" value="true"/> | |
20737 <param name="use_precursors" value="true"/> | |
20738 <param name="use_consensus" value="true"/> | |
20739 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20740 <param name="minimal_quality" value="-1.5"/> | |
20741 <param name="resample_boundary" value="15.0"/> | |
20742 <param name="compute_peak_quality" value="false"/> | |
20743 <param name="compute_peak_shape_metrics" value="false"/> | |
20744 <param name="compute_total_mi" value="false"/> | |
20745 <param name="boundary_selection_method" value="largest"/> | |
20746 <section name="PeakPickerMRM"> | |
20747 <param name="sgolay_frame_length" value="11"/> | |
20748 <param name="sgolay_polynomial_order" value="3"/> | |
20749 <param name="gauss_width" value="30.0"/> | |
20750 <param name="use_gauss" value="false"/> | |
20751 <param name="peak_width" value="-1.0"/> | |
20752 <param name="signal_to_noise" value="0.1"/> | |
20753 <param name="write_sn_log_messages" value="false"/> | |
20754 <param name="remove_overlapping_peaks" value="true"/> | |
20755 <param name="method" value="corrected"/> | |
20756 </section> | |
20757 <section name="PeakIntegrator"> | |
20758 <param name="integration_type" value="intensity_sum"/> | |
20759 <param name="baseline_type" value="base_to_base"/> | |
20760 <param name="fit_EMG" value="false"/> | |
20761 </section> | |
20762 </section> | |
20763 <section name="DIAScoring"> | |
20764 <param name="dia_extraction_window" value="0.05"/> | |
20765 <param name="dia_extraction_unit" value="Th"/> | |
20766 <param name="dia_centroided" value="false"/> | |
20767 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20768 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20769 <param name="dia_nr_isotopes" value="4"/> | |
20770 <param name="dia_nr_charges" value="4"/> | |
20771 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20772 </section> | |
20773 <section name="EMGScoring"> | |
20774 <param name="max_iteration" value="10"/> | |
20775 </section> | |
20776 <section name="Scores"> | |
20777 <param name="use_shape_score" value="true"/> | |
20778 <param name="use_coelution_score" value="true"/> | |
20779 <param name="use_rt_score" value="true"/> | |
20780 <param name="use_library_score" value="true"/> | |
20781 <param name="use_intensity_score" value="true"/> | |
20782 <param name="use_nr_peaks_score" value="true"/> | |
20783 <param name="use_total_xic_score" value="true"/> | |
20784 <param name="use_total_mi_score" value="false"/> | |
20785 <param name="use_sn_score" value="true"/> | |
20786 <param name="use_mi_score" value="false"/> | |
20787 <param name="use_dia_scores" value="true"/> | |
20788 <param name="use_ms1_correlation" value="false"/> | |
20789 <param name="use_sonar_scores" value="false"/> | |
20790 <param name="use_ion_mobility_scores" value="false"/> | |
20791 <param name="use_ms1_fullscan" value="false"/> | |
20792 <param name="use_ms1_mi" value="false"/> | |
20793 <param name="use_uis_scores" value="false"/> | |
20794 </section> | |
20795 </section> | |
20796 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20797 <output name="ctd_out" ftype="xml"> | |
20798 <assert_contents> | |
20799 <is_valid_xml/> | |
20800 </assert_contents> | |
20801 </output> | |
20802 </test> | |
20803 <test expect_num_outputs="3"> | |
20804 <conditional name="adv_opts_cond"> | |
20805 <param name="adv_opts_selector" value="advanced"/> | |
20806 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
20807 <param name="sort_swath_maps" value="false"/> | |
20808 <param name="use_ms1_traces" value="true"/> | |
20809 <param name="enable_uis_scoring" value="false"/> | |
20810 <param name="out_chrom_type" value="mzML"/> | |
20811 <param name="min_upper_edge_dist" value="0.0"/> | |
20812 <param name="extra_rt_extraction_window" value="0.0"/> | |
20813 <param name="mz_extraction_window_unit" value="Th"/> | |
20814 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
20815 <param name="use_ms1_ion_mobility" value="true"/> | |
20816 <param name="matching_window_only" value="false"/> | |
20817 <param name="irt_mz_extraction_window" value="0.05"/> | |
20818 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
20819 <param name="irt_im_extraction_window" value="-1.0"/> | |
20820 <param name="min_rsq" value="0.95"/> | |
20821 <param name="min_coverage" value="0.6"/> | |
20822 <param name="split_file_input" value="false"/> | |
20823 <param name="use_elution_model_score" value="false"/> | |
20824 <param name="readOptions" value="workingInMemory"/> | |
20825 <param name="mz_correction_function" value="none"/> | |
20826 <param name="extraction_function" value="tophat"/> | |
20827 <param name="batchSize" value="250"/> | |
20828 <param name="ms1_isotopes" value="2"/> | |
20829 <param name="force" value="false"/> | |
20830 <param name="test" value="true"/> | |
20831 </conditional> | |
20832 <param name="in" value="OpenSwathWorkflow_16_input.sqMass"/> | |
20833 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
20834 <param name="tr_type" value=""/> | |
20835 <output name="out_features" file="OpenSwathWorkflow_16_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20836 <output name="out_chrom" file="OpenSwathWorkflow_16_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
20837 <param name="sonar" value="false"/> | |
20838 <param name="rt_extraction_window" value="600.0"/> | |
20839 <param name="ion_mobility_window" value="-1.0"/> | |
20840 <param name="mz_extraction_window" value="0.05"/> | |
20841 <param name="mz_extraction_window_ms1" value="0.05"/> | |
20842 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20843 <section name="Debugging"/> | |
20844 <section name="Calibration"> | |
20845 <param name="ms1_im_calibration" value="false"/> | |
20846 <param name="im_correction_function" value="linear"/> | |
20847 <param name="debug_im_file" value=""/> | |
20848 <param name="debug_mz_file" value=""/> | |
20849 </section> | |
20850 <section name="Library"> | |
20851 <param name="retentionTimeInterpretation" value="iRT"/> | |
20852 <param name="override_group_label_check" value="false"/> | |
20853 <param name="force_invalid_mods" value="false"/> | |
20854 </section> | |
20855 <section name="RTNormalization"> | |
20856 <param name="alignmentMethod" value="linear"/> | |
20857 <param name="outlierMethod" value="iter_residual"/> | |
20858 <param name="useIterativeChauvenet" value="false"/> | |
20859 <param name="RANSACMaxIterations" value="1000"/> | |
20860 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
20861 <param name="RANSACSamplingSize" value="10"/> | |
20862 <param name="estimateBestPeptides" value="false"/> | |
20863 <param name="InitialQualityCutoff" value="0.5"/> | |
20864 <param name="OverallQualityCutoff" value="5.5"/> | |
20865 <param name="NrRTBins" value="10"/> | |
20866 <param name="MinPeptidesPerBin" value="1"/> | |
20867 <param name="MinBinsFilled" value="8"/> | |
20868 <section name="lowess"> | |
20869 <param name="span" value="0.666666666666667"/> | |
20870 </section> | |
20871 <section name="b_spline"> | |
20872 <param name="num_nodes" value="5"/> | |
20873 </section> | |
20874 </section> | |
20875 <section name="Scoring"> | |
20876 <param name="stop_report_after_feature" value="5"/> | |
20877 <param name="rt_normalization_factor" value="100.0"/> | |
20878 <param name="quantification_cutoff" value="0.0"/> | |
20879 <param name="write_convex_hull" value="false"/> | |
20880 <param name="spectrum_addition_method" value="simple"/> | |
20881 <param name="add_up_spectra" value="1"/> | |
20882 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
20883 <param name="uis_threshold_sn" value="0"/> | |
20884 <param name="uis_threshold_peak_area" value="0"/> | |
20885 <param name="scoring_model" value="default"/> | |
20886 <param name="im_extra_drift" value="0.0"/> | |
20887 <section name="TransitionGroupPicker"> | |
20888 <param name="stop_after_feature" value="-1"/> | |
20889 <param name="min_peak_width" value="-1.0"/> | |
20890 <param name="peak_integration" value="original"/> | |
20891 <param name="background_subtraction" value="none"/> | |
20892 <param name="recalculate_peaks" value="true"/> | |
20893 <param name="use_precursors" value="false"/> | |
20894 <param name="use_consensus" value="true"/> | |
20895 <param name="recalculate_peaks_max_z" value="0.75"/> | |
20896 <param name="minimal_quality" value="-1.5"/> | |
20897 <param name="resample_boundary" value="15.0"/> | |
20898 <param name="compute_peak_quality" value="true"/> | |
20899 <param name="compute_peak_shape_metrics" value="false"/> | |
20900 <param name="compute_total_mi" value="false"/> | |
20901 <param name="boundary_selection_method" value="largest"/> | |
20902 <section name="PeakPickerMRM"> | |
20903 <param name="sgolay_frame_length" value="11"/> | |
20904 <param name="sgolay_polynomial_order" value="3"/> | |
20905 <param name="gauss_width" value="30.0"/> | |
20906 <param name="use_gauss" value="false"/> | |
20907 <param name="peak_width" value="-1.0"/> | |
20908 <param name="signal_to_noise" value="0.1"/> | |
20909 <param name="write_sn_log_messages" value="false"/> | |
20910 <param name="remove_overlapping_peaks" value="true"/> | |
20911 <param name="method" value="corrected"/> | |
20912 </section> | |
20913 <section name="PeakIntegrator"> | |
20914 <param name="integration_type" value="intensity_sum"/> | |
20915 <param name="baseline_type" value="base_to_base"/> | |
20916 <param name="fit_EMG" value="false"/> | |
20917 </section> | |
20918 </section> | |
20919 <section name="DIAScoring"> | |
20920 <param name="dia_extraction_window" value="0.05"/> | |
20921 <param name="dia_extraction_unit" value="Th"/> | |
20922 <param name="dia_centroided" value="false"/> | |
20923 <param name="dia_byseries_intensity_min" value="300.0"/> | |
20924 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
20925 <param name="dia_nr_isotopes" value="4"/> | |
20926 <param name="dia_nr_charges" value="4"/> | |
20927 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
20928 </section> | |
20929 <section name="EMGScoring"> | |
20930 <param name="max_iteration" value="10"/> | |
20931 </section> | |
20932 <section name="Scores"> | |
20933 <param name="use_shape_score" value="true"/> | |
20934 <param name="use_coelution_score" value="true"/> | |
20935 <param name="use_rt_score" value="true"/> | |
20936 <param name="use_library_score" value="true"/> | |
20937 <param name="use_intensity_score" value="true"/> | |
20938 <param name="use_nr_peaks_score" value="true"/> | |
20939 <param name="use_total_xic_score" value="true"/> | |
20940 <param name="use_total_mi_score" value="false"/> | |
20941 <param name="use_sn_score" value="true"/> | |
20942 <param name="use_mi_score" value="false"/> | |
20943 <param name="use_dia_scores" value="true"/> | |
20944 <param name="use_ms1_correlation" value="false"/> | |
20945 <param name="use_sonar_scores" value="false"/> | |
20946 <param name="use_ion_mobility_scores" value="false"/> | |
20947 <param name="use_ms1_fullscan" value="false"/> | |
20948 <param name="use_ms1_mi" value="false"/> | |
20949 <param name="use_uis_scores" value="false"/> | |
20950 </section> | |
20951 </section> | |
20952 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
20953 <output name="ctd_out" ftype="xml"> | |
20954 <assert_contents> | |
20955 <is_valid_xml/> | |
20956 </assert_contents> | |
20957 </output> | |
20958 </test> | |
20959 <test expect_num_outputs="3"> | |
20960 <conditional name="adv_opts_cond"> | |
20961 <param name="adv_opts_selector" value="advanced"/> | |
20962 <param name="sort_swath_maps" value="false"/> | |
20963 <param name="use_ms1_traces" value="true"/> | |
20964 <param name="enable_uis_scoring" value="false"/> | |
20965 <param name="out_chrom_type" value="mzML"/> | |
20966 <param name="min_upper_edge_dist" value="0.0"/> | |
20967 <param name="extra_rt_extraction_window" value="0.0"/> | |
20968 <param name="mz_extraction_window_unit" value="Th"/> | |
20969 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
20970 <param name="use_ms1_ion_mobility" value="false"/> | |
20971 <param name="matching_window_only" value="false"/> | |
20972 <param name="irt_mz_extraction_window" value="0.05"/> | |
20973 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
20974 <param name="irt_im_extraction_window" value="-1.0"/> | |
20975 <param name="min_rsq" value="0.95"/> | |
20976 <param name="min_coverage" value="0.6"/> | |
20977 <param name="split_file_input" value="false"/> | |
20978 <param name="use_elution_model_score" value="false"/> | |
20979 <param name="readOptions" value="workingInMemory"/> | |
20980 <param name="mz_correction_function" value="none"/> | |
20981 <param name="extraction_function" value="tophat"/> | |
20982 <param name="batchSize" value="250"/> | |
20983 <param name="ms1_isotopes" value="0"/> | |
20984 <param name="force" value="false"/> | |
20985 <param name="test" value="true"/> | |
20986 </conditional> | |
20987 <param name="in" value="OpenSwathWorkflow_17_input.mzML"/> | |
20988 <param name="tr" value="OpenSwathWorkflow_17_input.tsv" ftype="tabular"/> | |
20989 <param name="tr_type" value=""/> | |
20990 <output name="out_features" file="OpenSwathWorkflow_17.featureXML.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
20991 <output name="out_chrom" file="OpenSwathWorkflow_17.chrom.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
20992 <param name="sonar" value="false"/> | |
20993 <param name="rt_extraction_window" value="600.0"/> | |
20994 <param name="ion_mobility_window" value="0.05"/> | |
20995 <param name="mz_extraction_window" value="0.05"/> | |
20996 <param name="mz_extraction_window_ms1" value="0.05"/> | |
20997 <param name="im_extraction_window_ms1" value="-1.0"/> | |
20998 <section name="Debugging"/> | |
20999 <section name="Calibration"> | |
21000 <param name="ms1_im_calibration" value="false"/> | |
21001 <param name="im_correction_function" value="linear"/> | |
21002 <param name="debug_im_file" value=""/> | |
21003 <param name="debug_mz_file" value=""/> | |
21004 </section> | |
21005 <section name="Library"> | |
21006 <param name="retentionTimeInterpretation" value="iRT"/> | |
21007 <param name="override_group_label_check" value="false"/> | |
21008 <param name="force_invalid_mods" value="false"/> | |
21009 </section> | |
21010 <section name="RTNormalization"> | |
21011 <param name="alignmentMethod" value="linear"/> | |
21012 <param name="outlierMethod" value="iter_residual"/> | |
21013 <param name="useIterativeChauvenet" value="false"/> | |
21014 <param name="RANSACMaxIterations" value="1000"/> | |
21015 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21016 <param name="RANSACSamplingSize" value="10"/> | |
21017 <param name="estimateBestPeptides" value="false"/> | |
21018 <param name="InitialQualityCutoff" value="0.5"/> | |
21019 <param name="OverallQualityCutoff" value="5.5"/> | |
21020 <param name="NrRTBins" value="10"/> | |
21021 <param name="MinPeptidesPerBin" value="1"/> | |
21022 <param name="MinBinsFilled" value="8"/> | |
21023 <section name="lowess"> | |
21024 <param name="span" value="0.666666666666667"/> | |
21025 </section> | |
21026 <section name="b_spline"> | |
21027 <param name="num_nodes" value="5"/> | |
21028 </section> | |
21029 </section> | |
21030 <section name="Scoring"> | |
21031 <param name="stop_report_after_feature" value="5"/> | |
21032 <param name="rt_normalization_factor" value="100.0"/> | |
21033 <param name="quantification_cutoff" value="0.0"/> | |
21034 <param name="write_convex_hull" value="false"/> | |
21035 <param name="spectrum_addition_method" value="simple"/> | |
21036 <param name="add_up_spectra" value="1"/> | |
21037 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21038 <param name="uis_threshold_sn" value="0"/> | |
21039 <param name="uis_threshold_peak_area" value="0"/> | |
21040 <param name="scoring_model" value="default"/> | |
21041 <param name="im_extra_drift" value="0.0"/> | |
21042 <section name="TransitionGroupPicker"> | |
21043 <param name="stop_after_feature" value="-1"/> | |
21044 <param name="min_peak_width" value="-1.0"/> | |
21045 <param name="peak_integration" value="original"/> | |
21046 <param name="background_subtraction" value="none"/> | |
21047 <param name="recalculate_peaks" value="true"/> | |
21048 <param name="use_precursors" value="false"/> | |
21049 <param name="use_consensus" value="true"/> | |
21050 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21051 <param name="minimal_quality" value="-1.5"/> | |
21052 <param name="resample_boundary" value="15.0"/> | |
21053 <param name="compute_peak_quality" value="true"/> | |
21054 <param name="compute_peak_shape_metrics" value="false"/> | |
21055 <param name="compute_total_mi" value="false"/> | |
21056 <param name="boundary_selection_method" value="largest"/> | |
21057 <section name="PeakPickerMRM"> | |
21058 <param name="sgolay_frame_length" value="11"/> | |
21059 <param name="sgolay_polynomial_order" value="3"/> | |
21060 <param name="gauss_width" value="30.0"/> | |
21061 <param name="use_gauss" value="false"/> | |
21062 <param name="peak_width" value="-1.0"/> | |
21063 <param name="signal_to_noise" value="0.1"/> | |
21064 <param name="write_sn_log_messages" value="false"/> | |
21065 <param name="remove_overlapping_peaks" value="true"/> | |
21066 <param name="method" value="corrected"/> | |
21067 </section> | |
21068 <section name="PeakIntegrator"> | |
21069 <param name="integration_type" value="intensity_sum"/> | |
21070 <param name="baseline_type" value="base_to_base"/> | |
21071 <param name="fit_EMG" value="false"/> | |
21072 </section> | |
21073 </section> | |
21074 <section name="DIAScoring"> | |
21075 <param name="dia_extraction_window" value="0.05"/> | |
21076 <param name="dia_extraction_unit" value="Th"/> | |
21077 <param name="dia_centroided" value="false"/> | |
21078 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21079 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21080 <param name="dia_nr_isotopes" value="4"/> | |
21081 <param name="dia_nr_charges" value="4"/> | |
21082 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21083 </section> | |
21084 <section name="EMGScoring"> | |
21085 <param name="max_iteration" value="10"/> | |
21086 </section> | |
21087 <section name="Scores"> | |
21088 <param name="use_shape_score" value="true"/> | |
21089 <param name="use_coelution_score" value="true"/> | |
21090 <param name="use_rt_score" value="true"/> | |
21091 <param name="use_library_score" value="true"/> | |
21092 <param name="use_intensity_score" value="true"/> | |
21093 <param name="use_nr_peaks_score" value="true"/> | |
21094 <param name="use_total_xic_score" value="true"/> | |
21095 <param name="use_total_mi_score" value="false"/> | |
21096 <param name="use_sn_score" value="true"/> | |
21097 <param name="use_mi_score" value="false"/> | |
21098 <param name="use_dia_scores" value="true"/> | |
21099 <param name="use_ms1_correlation" value="false"/> | |
21100 <param name="use_sonar_scores" value="false"/> | |
21101 <param name="use_ion_mobility_scores" value="true"/> | |
21102 <param name="use_ms1_fullscan" value="false"/> | |
21103 <param name="use_ms1_mi" value="false"/> | |
21104 <param name="use_uis_scores" value="false"/> | |
21105 </section> | |
21106 </section> | |
21107 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
21108 <output name="ctd_out" ftype="xml"> | |
21109 <assert_contents> | |
21110 <is_valid_xml/> | |
21111 </assert_contents> | |
21112 </output> | |
21113 </test> | |
21114 <test expect_num_outputs="3"> | |
21115 <conditional name="adv_opts_cond"> | |
21116 <param name="adv_opts_selector" value="advanced"/> | |
21117 <param name="sort_swath_maps" value="false"/> | |
21118 <param name="use_ms1_traces" value="true"/> | |
21119 <param name="enable_uis_scoring" value="false"/> | |
21120 <param name="out_chrom_type" value="mzML"/> | |
21121 <param name="min_upper_edge_dist" value="0.0"/> | |
21122 <param name="extra_rt_extraction_window" value="0.0"/> | |
21123 <param name="mz_extraction_window_unit" value="Th"/> | |
21124 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
21125 <param name="use_ms1_ion_mobility" value="false"/> | |
21126 <param name="matching_window_only" value="false"/> | |
21127 <param name="irt_mz_extraction_window" value="0.05"/> | |
21128 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
21129 <param name="irt_im_extraction_window" value="-1.0"/> | |
21130 <param name="min_rsq" value="0.95"/> | |
21131 <param name="min_coverage" value="0.6"/> | |
21132 <param name="split_file_input" value="false"/> | |
21133 <param name="use_elution_model_score" value="false"/> | |
21134 <param name="readOptions" value="cache"/> | |
21135 <param name="mz_correction_function" value="none"/> | |
21136 <param name="extraction_function" value="tophat"/> | |
21137 <param name="batchSize" value="250"/> | |
21138 <param name="ms1_isotopes" value="0"/> | |
21139 <param name="force" value="false"/> | |
21140 <param name="test" value="true"/> | |
21141 </conditional> | |
21142 <param name="in" value="OpenSwathWorkflow_17_input.mzML"/> | |
21143 <param name="tr" value="OpenSwathWorkflow_17_input.tsv" ftype="tabular"/> | |
21144 <param name="tr_type" value=""/> | |
21145 <output name="out_features" file="OpenSwathWorkflow_17.featureXML.tmp" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21146 <output name="out_chrom" file="OpenSwathWorkflow_17.chrom.mzML.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
21147 <param name="sonar" value="false"/> | |
21148 <param name="rt_extraction_window" value="600.0"/> | |
21149 <param name="ion_mobility_window" value="0.05"/> | |
21150 <param name="mz_extraction_window" value="0.05"/> | |
21151 <param name="mz_extraction_window_ms1" value="0.05"/> | |
21152 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21153 <section name="Debugging"/> | |
21154 <section name="Calibration"> | |
21155 <param name="ms1_im_calibration" value="false"/> | |
21156 <param name="im_correction_function" value="linear"/> | |
21157 <param name="debug_im_file" value=""/> | |
21158 <param name="debug_mz_file" value=""/> | |
21159 </section> | |
21160 <section name="Library"> | |
21161 <param name="retentionTimeInterpretation" value="iRT"/> | |
21162 <param name="override_group_label_check" value="false"/> | |
21163 <param name="force_invalid_mods" value="false"/> | |
21164 </section> | |
21165 <section name="RTNormalization"> | |
21166 <param name="alignmentMethod" value="linear"/> | |
21167 <param name="outlierMethod" value="iter_residual"/> | |
21168 <param name="useIterativeChauvenet" value="false"/> | |
21169 <param name="RANSACMaxIterations" value="1000"/> | |
21170 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21171 <param name="RANSACSamplingSize" value="10"/> | |
21172 <param name="estimateBestPeptides" value="false"/> | |
21173 <param name="InitialQualityCutoff" value="0.5"/> | |
21174 <param name="OverallQualityCutoff" value="5.5"/> | |
21175 <param name="NrRTBins" value="10"/> | |
21176 <param name="MinPeptidesPerBin" value="1"/> | |
21177 <param name="MinBinsFilled" value="8"/> | |
21178 <section name="lowess"> | |
21179 <param name="span" value="0.666666666666667"/> | |
21180 </section> | |
21181 <section name="b_spline"> | |
21182 <param name="num_nodes" value="5"/> | |
21183 </section> | |
21184 </section> | |
21185 <section name="Scoring"> | |
21186 <param name="stop_report_after_feature" value="5"/> | |
21187 <param name="rt_normalization_factor" value="100.0"/> | |
21188 <param name="quantification_cutoff" value="0.0"/> | |
21189 <param name="write_convex_hull" value="false"/> | |
21190 <param name="spectrum_addition_method" value="simple"/> | |
21191 <param name="add_up_spectra" value="1"/> | |
21192 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21193 <param name="uis_threshold_sn" value="0"/> | |
21194 <param name="uis_threshold_peak_area" value="0"/> | |
21195 <param name="scoring_model" value="default"/> | |
21196 <param name="im_extra_drift" value="0.0"/> | |
21197 <section name="TransitionGroupPicker"> | |
21198 <param name="stop_after_feature" value="-1"/> | |
21199 <param name="min_peak_width" value="-1.0"/> | |
21200 <param name="peak_integration" value="original"/> | |
21201 <param name="background_subtraction" value="none"/> | |
21202 <param name="recalculate_peaks" value="true"/> | |
21203 <param name="use_precursors" value="false"/> | |
21204 <param name="use_consensus" value="true"/> | |
21205 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21206 <param name="minimal_quality" value="-1.5"/> | |
21207 <param name="resample_boundary" value="15.0"/> | |
21208 <param name="compute_peak_quality" value="true"/> | |
21209 <param name="compute_peak_shape_metrics" value="false"/> | |
21210 <param name="compute_total_mi" value="false"/> | |
21211 <param name="boundary_selection_method" value="largest"/> | |
21212 <section name="PeakPickerMRM"> | |
21213 <param name="sgolay_frame_length" value="11"/> | |
21214 <param name="sgolay_polynomial_order" value="3"/> | |
21215 <param name="gauss_width" value="30.0"/> | |
21216 <param name="use_gauss" value="false"/> | |
21217 <param name="peak_width" value="-1.0"/> | |
21218 <param name="signal_to_noise" value="0.1"/> | |
21219 <param name="write_sn_log_messages" value="false"/> | |
21220 <param name="remove_overlapping_peaks" value="true"/> | |
21221 <param name="method" value="corrected"/> | |
21222 </section> | |
21223 <section name="PeakIntegrator"> | |
21224 <param name="integration_type" value="intensity_sum"/> | |
21225 <param name="baseline_type" value="base_to_base"/> | |
21226 <param name="fit_EMG" value="false"/> | |
21227 </section> | |
21228 </section> | |
21229 <section name="DIAScoring"> | |
21230 <param name="dia_extraction_window" value="0.05"/> | |
21231 <param name="dia_extraction_unit" value="Th"/> | |
21232 <param name="dia_centroided" value="false"/> | |
21233 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21234 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21235 <param name="dia_nr_isotopes" value="4"/> | |
21236 <param name="dia_nr_charges" value="4"/> | |
21237 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21238 </section> | |
21239 <section name="EMGScoring"> | |
21240 <param name="max_iteration" value="10"/> | |
21241 </section> | |
21242 <section name="Scores"> | |
21243 <param name="use_shape_score" value="true"/> | |
21244 <param name="use_coelution_score" value="true"/> | |
21245 <param name="use_rt_score" value="true"/> | |
21246 <param name="use_library_score" value="true"/> | |
21247 <param name="use_intensity_score" value="true"/> | |
21248 <param name="use_nr_peaks_score" value="true"/> | |
21249 <param name="use_total_xic_score" value="true"/> | |
21250 <param name="use_total_mi_score" value="false"/> | |
21251 <param name="use_sn_score" value="true"/> | |
21252 <param name="use_mi_score" value="false"/> | |
21253 <param name="use_dia_scores" value="true"/> | |
21254 <param name="use_ms1_correlation" value="false"/> | |
21255 <param name="use_sonar_scores" value="false"/> | |
21256 <param name="use_ion_mobility_scores" value="true"/> | |
21257 <param name="use_ms1_fullscan" value="false"/> | |
21258 <param name="use_ms1_mi" value="false"/> | |
21259 <param name="use_uis_scores" value="false"/> | |
21260 </section> | |
21261 </section> | |
21262 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
21263 <output name="ctd_out" ftype="xml"> | |
21264 <assert_contents> | |
21265 <is_valid_xml/> | |
21266 </assert_contents> | |
21267 </output> | |
21268 </test> | |
21269 <test expect_num_outputs="3"> | |
21270 <conditional name="adv_opts_cond"> | |
21271 <param name="adv_opts_selector" value="advanced"/> | |
21272 <param name="sort_swath_maps" value="false"/> | |
21273 <param name="use_ms1_traces" value="true"/> | |
21274 <param name="enable_uis_scoring" value="false"/> | |
21275 <param name="out_chrom_type" value="mzML"/> | |
21276 <param name="min_upper_edge_dist" value="0.0"/> | |
21277 <param name="extra_rt_extraction_window" value="0.0"/> | |
21278 <param name="mz_extraction_window_unit" value="Th"/> | |
21279 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
21280 <param name="use_ms1_ion_mobility" value="false"/> | |
21281 <param name="matching_window_only" value="false"/> | |
21282 <param name="irt_mz_extraction_window" value="0.05"/> | |
21283 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
21284 <param name="irt_im_extraction_window" value="-1.0"/> | |
21285 <param name="min_rsq" value="0.95"/> | |
21286 <param name="min_coverage" value="0.6"/> | |
21287 <param name="split_file_input" value="false"/> | |
21288 <param name="use_elution_model_score" value="false"/> | |
21289 <param name="readOptions" value="workingInMemory"/> | |
21290 <param name="mz_correction_function" value="none"/> | |
21291 <param name="extraction_function" value="tophat"/> | |
21292 <param name="batchSize" value="250"/> | |
21293 <param name="ms1_isotopes" value="0"/> | |
21294 <param name="force" value="false"/> | |
21295 <param name="test" value="true"/> | |
21296 </conditional> | |
21297 <param name="in" value="OpenSwathWorkflow_17_input.mzML"/> | |
21298 <param name="tr" value="OpenSwathWorkflow_17_input.pqp.tmp"/> | |
21299 <param name="tr_type" value="pqp"/> | |
21300 <output name="out_features" file="OpenSwathWorkflow_17_b_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21301 <output name="out_chrom" file="OpenSwathWorkflow_17_b_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
21302 <param name="sonar" value="false"/> | |
21303 <param name="rt_extraction_window" value="600.0"/> | |
21304 <param name="ion_mobility_window" value="0.05"/> | |
21305 <param name="mz_extraction_window" value="0.05"/> | |
21306 <param name="mz_extraction_window_ms1" value="0.05"/> | |
21307 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21308 <section name="Debugging"/> | |
21309 <section name="Calibration"> | |
21310 <param name="ms1_im_calibration" value="false"/> | |
21311 <param name="im_correction_function" value="linear"/> | |
21312 <param name="debug_im_file" value=""/> | |
21313 <param name="debug_mz_file" value=""/> | |
21314 </section> | |
21315 <section name="Library"> | |
21316 <param name="retentionTimeInterpretation" value="iRT"/> | |
21317 <param name="override_group_label_check" value="false"/> | |
21318 <param name="force_invalid_mods" value="false"/> | |
21319 </section> | |
21320 <section name="RTNormalization"> | |
21321 <param name="alignmentMethod" value="linear"/> | |
21322 <param name="outlierMethod" value="iter_residual"/> | |
21323 <param name="useIterativeChauvenet" value="false"/> | |
21324 <param name="RANSACMaxIterations" value="1000"/> | |
21325 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21326 <param name="RANSACSamplingSize" value="10"/> | |
21327 <param name="estimateBestPeptides" value="false"/> | |
21328 <param name="InitialQualityCutoff" value="0.5"/> | |
21329 <param name="OverallQualityCutoff" value="5.5"/> | |
21330 <param name="NrRTBins" value="10"/> | |
21331 <param name="MinPeptidesPerBin" value="1"/> | |
21332 <param name="MinBinsFilled" value="8"/> | |
21333 <section name="lowess"> | |
21334 <param name="span" value="0.666666666666667"/> | |
21335 </section> | |
21336 <section name="b_spline"> | |
21337 <param name="num_nodes" value="5"/> | |
21338 </section> | |
21339 </section> | |
21340 <section name="Scoring"> | |
21341 <param name="stop_report_after_feature" value="5"/> | |
21342 <param name="rt_normalization_factor" value="100.0"/> | |
21343 <param name="quantification_cutoff" value="0.0"/> | |
21344 <param name="write_convex_hull" value="false"/> | |
21345 <param name="spectrum_addition_method" value="simple"/> | |
21346 <param name="add_up_spectra" value="1"/> | |
21347 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21348 <param name="uis_threshold_sn" value="0"/> | |
21349 <param name="uis_threshold_peak_area" value="0"/> | |
21350 <param name="scoring_model" value="default"/> | |
21351 <param name="im_extra_drift" value="0.0"/> | |
21352 <section name="TransitionGroupPicker"> | |
21353 <param name="stop_after_feature" value="-1"/> | |
21354 <param name="min_peak_width" value="-1.0"/> | |
21355 <param name="peak_integration" value="original"/> | |
21356 <param name="background_subtraction" value="none"/> | |
21357 <param name="recalculate_peaks" value="true"/> | |
21358 <param name="use_precursors" value="false"/> | |
21359 <param name="use_consensus" value="true"/> | |
21360 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21361 <param name="minimal_quality" value="-1.5"/> | |
21362 <param name="resample_boundary" value="15.0"/> | |
21363 <param name="compute_peak_quality" value="true"/> | |
21364 <param name="compute_peak_shape_metrics" value="false"/> | |
21365 <param name="compute_total_mi" value="false"/> | |
21366 <param name="boundary_selection_method" value="largest"/> | |
21367 <section name="PeakPickerMRM"> | |
21368 <param name="sgolay_frame_length" value="11"/> | |
21369 <param name="sgolay_polynomial_order" value="3"/> | |
21370 <param name="gauss_width" value="30.0"/> | |
21371 <param name="use_gauss" value="false"/> | |
21372 <param name="peak_width" value="-1.0"/> | |
21373 <param name="signal_to_noise" value="0.1"/> | |
21374 <param name="write_sn_log_messages" value="false"/> | |
21375 <param name="remove_overlapping_peaks" value="true"/> | |
21376 <param name="method" value="corrected"/> | |
21377 </section> | |
21378 <section name="PeakIntegrator"> | |
21379 <param name="integration_type" value="intensity_sum"/> | |
21380 <param name="baseline_type" value="base_to_base"/> | |
21381 <param name="fit_EMG" value="false"/> | |
21382 </section> | |
21383 </section> | |
21384 <section name="DIAScoring"> | |
21385 <param name="dia_extraction_window" value="0.05"/> | |
21386 <param name="dia_extraction_unit" value="Th"/> | |
21387 <param name="dia_centroided" value="false"/> | |
21388 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21389 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21390 <param name="dia_nr_isotopes" value="4"/> | |
21391 <param name="dia_nr_charges" value="4"/> | |
21392 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21393 </section> | |
21394 <section name="EMGScoring"> | |
21395 <param name="max_iteration" value="10"/> | |
21396 </section> | |
21397 <section name="Scores"> | |
21398 <param name="use_shape_score" value="true"/> | |
21399 <param name="use_coelution_score" value="true"/> | |
21400 <param name="use_rt_score" value="true"/> | |
21401 <param name="use_library_score" value="true"/> | |
21402 <param name="use_intensity_score" value="true"/> | |
21403 <param name="use_nr_peaks_score" value="true"/> | |
21404 <param name="use_total_xic_score" value="true"/> | |
21405 <param name="use_total_mi_score" value="false"/> | |
21406 <param name="use_sn_score" value="true"/> | |
21407 <param name="use_mi_score" value="false"/> | |
21408 <param name="use_dia_scores" value="true"/> | |
21409 <param name="use_ms1_correlation" value="false"/> | |
21410 <param name="use_sonar_scores" value="false"/> | |
21411 <param name="use_ion_mobility_scores" value="false"/> | |
21412 <param name="use_ms1_fullscan" value="false"/> | |
21413 <param name="use_ms1_mi" value="false"/> | |
21414 <param name="use_uis_scores" value="false"/> | |
21415 </section> | |
21416 </section> | |
21417 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
21418 <output name="ctd_out" ftype="xml"> | |
21419 <assert_contents> | |
21420 <is_valid_xml/> | |
21421 </assert_contents> | |
21422 </output> | |
21423 </test> | |
21424 <test expect_num_outputs="2"> | |
21425 <conditional name="adv_opts_cond"> | |
21426 <param name="adv_opts_selector" value="advanced"/> | |
21427 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
21428 <param name="sort_swath_maps" value="false"/> | |
21429 <param name="use_ms1_traces" value="true"/> | |
21430 <param name="enable_uis_scoring" value="false"/> | |
21431 <param name="min_upper_edge_dist" value="0.0"/> | |
21432 <param name="extra_rt_extraction_window" value="0.0"/> | |
21433 <param name="mz_extraction_window_unit" value="Th"/> | |
21434 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
21435 <param name="use_ms1_ion_mobility" value="true"/> | |
21436 <param name="matching_window_only" value="false"/> | |
21437 <param name="irt_mz_extraction_window" value="0.05"/> | |
21438 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
21439 <param name="irt_im_extraction_window" value="-1.0"/> | |
21440 <param name="min_rsq" value="0.95"/> | |
21441 <param name="min_coverage" value="0.6"/> | |
21442 <param name="split_file_input" value="false"/> | |
21443 <param name="use_elution_model_score" value="false"/> | |
21444 <param name="readOptions" value="normal"/> | |
21445 <param name="mz_correction_function" value="none"/> | |
21446 <param name="extraction_function" value="tophat"/> | |
21447 <param name="batchSize" value="250"/> | |
21448 <param name="ms1_isotopes" value="0"/> | |
21449 <param name="force" value="false"/> | |
21450 <param name="test" value="true"/> | |
21451 </conditional> | |
21452 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
21453 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
21454 <param name="tr_type" value=""/> | |
21455 <output name="out_features" file="OpenSwathWorkflow_18_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21456 <param name="sonar" value="false"/> | |
21457 <param name="rt_extraction_window" value="600.0"/> | |
21458 <param name="ion_mobility_window" value="-1.0"/> | |
21459 <param name="mz_extraction_window" value="0.05"/> | |
21460 <param name="mz_extraction_window_ms1" value="0.05"/> | |
21461 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21462 <section name="Debugging"/> | |
21463 <section name="Calibration"> | |
21464 <param name="ms1_im_calibration" value="false"/> | |
21465 <param name="im_correction_function" value="linear"/> | |
21466 <param name="debug_im_file" value=""/> | |
21467 <param name="debug_mz_file" value=""/> | |
21468 </section> | |
21469 <section name="Library"> | |
21470 <param name="retentionTimeInterpretation" value="iRT"/> | |
21471 <param name="override_group_label_check" value="false"/> | |
21472 <param name="force_invalid_mods" value="false"/> | |
21473 </section> | |
21474 <section name="RTNormalization"> | |
21475 <param name="alignmentMethod" value="linear"/> | |
21476 <param name="outlierMethod" value="iter_residual"/> | |
21477 <param name="useIterativeChauvenet" value="false"/> | |
21478 <param name="RANSACMaxIterations" value="1000"/> | |
21479 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21480 <param name="RANSACSamplingSize" value="10"/> | |
21481 <param name="estimateBestPeptides" value="false"/> | |
21482 <param name="InitialQualityCutoff" value="0.5"/> | |
21483 <param name="OverallQualityCutoff" value="5.5"/> | |
21484 <param name="NrRTBins" value="10"/> | |
21485 <param name="MinPeptidesPerBin" value="1"/> | |
21486 <param name="MinBinsFilled" value="8"/> | |
21487 <section name="lowess"> | |
21488 <param name="span" value="0.666666666666667"/> | |
21489 </section> | |
21490 <section name="b_spline"> | |
21491 <param name="num_nodes" value="5"/> | |
21492 </section> | |
21493 </section> | |
21494 <section name="Scoring"> | |
21495 <param name="stop_report_after_feature" value="5"/> | |
21496 <param name="rt_normalization_factor" value="100.0"/> | |
21497 <param name="quantification_cutoff" value="0.0"/> | |
21498 <param name="write_convex_hull" value="false"/> | |
21499 <param name="spectrum_addition_method" value="simple"/> | |
21500 <param name="add_up_spectra" value="1"/> | |
21501 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21502 <param name="uis_threshold_sn" value="0"/> | |
21503 <param name="uis_threshold_peak_area" value="0"/> | |
21504 <param name="scoring_model" value="default"/> | |
21505 <param name="im_extra_drift" value="0.0"/> | |
21506 <section name="TransitionGroupPicker"> | |
21507 <param name="stop_after_feature" value="-1"/> | |
21508 <param name="min_peak_width" value="-1.0"/> | |
21509 <param name="peak_integration" value="original"/> | |
21510 <param name="background_subtraction" value="none"/> | |
21511 <param name="recalculate_peaks" value="true"/> | |
21512 <param name="use_precursors" value="false"/> | |
21513 <param name="use_consensus" value="true"/> | |
21514 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21515 <param name="minimal_quality" value="-1.5"/> | |
21516 <param name="resample_boundary" value="15.0"/> | |
21517 <param name="compute_peak_quality" value="true"/> | |
21518 <param name="compute_peak_shape_metrics" value="false"/> | |
21519 <param name="compute_total_mi" value="false"/> | |
21520 <param name="boundary_selection_method" value="largest"/> | |
21521 <section name="PeakPickerMRM"> | |
21522 <param name="sgolay_frame_length" value="11"/> | |
21523 <param name="sgolay_polynomial_order" value="3"/> | |
21524 <param name="gauss_width" value="30.0"/> | |
21525 <param name="use_gauss" value="false"/> | |
21526 <param name="peak_width" value="-1.0"/> | |
21527 <param name="signal_to_noise" value="0.1"/> | |
21528 <param name="write_sn_log_messages" value="false"/> | |
21529 <param name="remove_overlapping_peaks" value="true"/> | |
21530 <param name="method" value="corrected"/> | |
21531 </section> | |
21532 <section name="PeakIntegrator"> | |
21533 <param name="integration_type" value="intensity_sum"/> | |
21534 <param name="baseline_type" value="base_to_base"/> | |
21535 <param name="fit_EMG" value="false"/> | |
21536 </section> | |
21537 </section> | |
21538 <section name="DIAScoring"> | |
21539 <param name="dia_extraction_window" value="0.05"/> | |
21540 <param name="dia_extraction_unit" value="Th"/> | |
21541 <param name="dia_centroided" value="false"/> | |
21542 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21543 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21544 <param name="dia_nr_isotopes" value="4"/> | |
21545 <param name="dia_nr_charges" value="4"/> | |
21546 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21547 </section> | |
21548 <section name="EMGScoring"> | |
21549 <param name="max_iteration" value="10"/> | |
21550 </section> | |
21551 <section name="Scores"> | |
21552 <param name="use_shape_score" value="true"/> | |
21553 <param name="use_coelution_score" value="true"/> | |
21554 <param name="use_rt_score" value="true"/> | |
21555 <param name="use_library_score" value="true"/> | |
21556 <param name="use_intensity_score" value="true"/> | |
21557 <param name="use_nr_peaks_score" value="true"/> | |
21558 <param name="use_total_xic_score" value="true"/> | |
21559 <param name="use_total_mi_score" value="false"/> | |
21560 <param name="use_sn_score" value="true"/> | |
21561 <param name="use_mi_score" value="false"/> | |
21562 <param name="use_dia_scores" value="true"/> | |
21563 <param name="use_ms1_correlation" value="false"/> | |
21564 <param name="use_sonar_scores" value="false"/> | |
21565 <param name="use_ion_mobility_scores" value="false"/> | |
21566 <param name="use_ms1_fullscan" value="false"/> | |
21567 <param name="use_ms1_mi" value="true"/> | |
21568 <param name="use_uis_scores" value="false"/> | |
21569 </section> | |
21570 </section> | |
21571 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG"/> | |
21572 <output name="ctd_out" ftype="xml"> | |
21573 <assert_contents> | |
21574 <is_valid_xml/> | |
21575 </assert_contents> | |
21576 </output> | |
21577 </test> | |
21578 <test expect_num_outputs="2"> | |
21579 <conditional name="adv_opts_cond"> | |
21580 <param name="adv_opts_selector" value="advanced"/> | |
21581 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
21582 <param name="sort_swath_maps" value="false"/> | |
21583 <param name="use_ms1_traces" value="true"/> | |
21584 <param name="enable_uis_scoring" value="false"/> | |
21585 <param name="min_upper_edge_dist" value="0.0"/> | |
21586 <param name="extra_rt_extraction_window" value="0.0"/> | |
21587 <param name="mz_extraction_window_unit" value="Th"/> | |
21588 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
21589 <param name="use_ms1_ion_mobility" value="true"/> | |
21590 <param name="matching_window_only" value="false"/> | |
21591 <param name="irt_mz_extraction_window" value="0.05"/> | |
21592 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
21593 <param name="irt_im_extraction_window" value="-1.0"/> | |
21594 <param name="min_rsq" value="0.95"/> | |
21595 <param name="min_coverage" value="0.6"/> | |
21596 <param name="split_file_input" value="false"/> | |
21597 <param name="use_elution_model_score" value="false"/> | |
21598 <param name="readOptions" value="normal"/> | |
21599 <param name="mz_correction_function" value="none"/> | |
21600 <param name="extraction_function" value="tophat"/> | |
21601 <param name="batchSize" value="250"/> | |
21602 <param name="ms1_isotopes" value="0"/> | |
21603 <param name="force" value="false"/> | |
21604 <param name="test" value="true"/> | |
21605 </conditional> | |
21606 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
21607 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
21608 <param name="tr_type" value=""/> | |
21609 <output name="out_features" file="OpenSwathWorkflow_19_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21610 <param name="sonar" value="false"/> | |
21611 <param name="rt_extraction_window" value="600.0"/> | |
21612 <param name="ion_mobility_window" value="-1.0"/> | |
21613 <param name="mz_extraction_window" value="0.05"/> | |
21614 <param name="mz_extraction_window_ms1" value="0.05"/> | |
21615 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21616 <section name="Debugging"/> | |
21617 <section name="Calibration"> | |
21618 <param name="ms1_im_calibration" value="false"/> | |
21619 <param name="im_correction_function" value="linear"/> | |
21620 <param name="debug_im_file" value=""/> | |
21621 <param name="debug_mz_file" value=""/> | |
21622 </section> | |
21623 <section name="Library"> | |
21624 <param name="retentionTimeInterpretation" value="iRT"/> | |
21625 <param name="override_group_label_check" value="false"/> | |
21626 <param name="force_invalid_mods" value="false"/> | |
21627 </section> | |
21628 <section name="RTNormalization"> | |
21629 <param name="alignmentMethod" value="linear"/> | |
21630 <param name="outlierMethod" value="iter_residual"/> | |
21631 <param name="useIterativeChauvenet" value="false"/> | |
21632 <param name="RANSACMaxIterations" value="1000"/> | |
21633 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21634 <param name="RANSACSamplingSize" value="10"/> | |
21635 <param name="estimateBestPeptides" value="false"/> | |
21636 <param name="InitialQualityCutoff" value="0.5"/> | |
21637 <param name="OverallQualityCutoff" value="5.5"/> | |
21638 <param name="NrRTBins" value="10"/> | |
21639 <param name="MinPeptidesPerBin" value="1"/> | |
21640 <param name="MinBinsFilled" value="8"/> | |
21641 <section name="lowess"> | |
21642 <param name="span" value="0.666666666666667"/> | |
21643 </section> | |
21644 <section name="b_spline"> | |
21645 <param name="num_nodes" value="5"/> | |
21646 </section> | |
21647 </section> | |
21648 <section name="Scoring"> | |
21649 <param name="stop_report_after_feature" value="5"/> | |
21650 <param name="rt_normalization_factor" value="100.0"/> | |
21651 <param name="quantification_cutoff" value="0.0"/> | |
21652 <param name="write_convex_hull" value="false"/> | |
21653 <param name="spectrum_addition_method" value="simple"/> | |
21654 <param name="add_up_spectra" value="1"/> | |
21655 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21656 <param name="uis_threshold_sn" value="0"/> | |
21657 <param name="uis_threshold_peak_area" value="0"/> | |
21658 <param name="scoring_model" value="default"/> | |
21659 <param name="im_extra_drift" value="0.0"/> | |
21660 <section name="TransitionGroupPicker"> | |
21661 <param name="stop_after_feature" value="-1"/> | |
21662 <param name="min_peak_width" value="-1.0"/> | |
21663 <param name="peak_integration" value="original"/> | |
21664 <param name="background_subtraction" value="none"/> | |
21665 <param name="recalculate_peaks" value="true"/> | |
21666 <param name="use_precursors" value="false"/> | |
21667 <param name="use_consensus" value="true"/> | |
21668 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21669 <param name="minimal_quality" value="-1.5"/> | |
21670 <param name="resample_boundary" value="15.0"/> | |
21671 <param name="compute_peak_quality" value="true"/> | |
21672 <param name="compute_peak_shape_metrics" value="false"/> | |
21673 <param name="compute_total_mi" value="false"/> | |
21674 <param name="boundary_selection_method" value="largest"/> | |
21675 <section name="PeakPickerMRM"> | |
21676 <param name="sgolay_frame_length" value="11"/> | |
21677 <param name="sgolay_polynomial_order" value="3"/> | |
21678 <param name="gauss_width" value="30.0"/> | |
21679 <param name="use_gauss" value="false"/> | |
21680 <param name="peak_width" value="-1.0"/> | |
21681 <param name="signal_to_noise" value="0.1"/> | |
21682 <param name="write_sn_log_messages" value="false"/> | |
21683 <param name="remove_overlapping_peaks" value="true"/> | |
21684 <param name="method" value="corrected"/> | |
21685 </section> | |
21686 <section name="PeakIntegrator"> | |
21687 <param name="integration_type" value="intensity_sum"/> | |
21688 <param name="baseline_type" value="base_to_base"/> | |
21689 <param name="fit_EMG" value="false"/> | |
21690 </section> | |
21691 </section> | |
21692 <section name="DIAScoring"> | |
21693 <param name="dia_extraction_window" value="0.05"/> | |
21694 <param name="dia_extraction_unit" value="Th"/> | |
21695 <param name="dia_centroided" value="false"/> | |
21696 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21697 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21698 <param name="dia_nr_isotopes" value="4"/> | |
21699 <param name="dia_nr_charges" value="4"/> | |
21700 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21701 </section> | |
21702 <section name="EMGScoring"> | |
21703 <param name="max_iteration" value="10"/> | |
21704 </section> | |
21705 <section name="Scores"> | |
21706 <param name="use_shape_score" value="true"/> | |
21707 <param name="use_coelution_score" value="true"/> | |
21708 <param name="use_rt_score" value="true"/> | |
21709 <param name="use_library_score" value="true"/> | |
21710 <param name="use_intensity_score" value="true"/> | |
21711 <param name="use_nr_peaks_score" value="true"/> | |
21712 <param name="use_total_xic_score" value="true"/> | |
21713 <param name="use_total_mi_score" value="false"/> | |
21714 <param name="use_sn_score" value="true"/> | |
21715 <param name="use_mi_score" value="true"/> | |
21716 <param name="use_dia_scores" value="true"/> | |
21717 <param name="use_ms1_correlation" value="false"/> | |
21718 <param name="use_sonar_scores" value="false"/> | |
21719 <param name="use_ion_mobility_scores" value="false"/> | |
21720 <param name="use_ms1_fullscan" value="false"/> | |
21721 <param name="use_ms1_mi" value="false"/> | |
21722 <param name="use_uis_scores" value="false"/> | |
21723 </section> | |
21724 </section> | |
21725 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG"/> | |
21726 <output name="ctd_out" ftype="xml"> | |
21727 <assert_contents> | |
21728 <is_valid_xml/> | |
21729 </assert_contents> | |
21730 </output> | |
21731 </test> | |
21732 <test expect_num_outputs="2"> | |
21733 <conditional name="adv_opts_cond"> | |
21734 <param name="adv_opts_selector" value="advanced"/> | |
21735 <param name="rt_norm" value="OpenSwathWorkflow_1_input.trafoXML"/> | |
21736 <param name="sort_swath_maps" value="false"/> | |
21737 <param name="use_ms1_traces" value="true"/> | |
21738 <param name="enable_uis_scoring" value="false"/> | |
21739 <param name="min_upper_edge_dist" value="0.0"/> | |
21740 <param name="extra_rt_extraction_window" value="0.0"/> | |
21741 <param name="mz_extraction_window_unit" value="Th"/> | |
21742 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
21743 <param name="use_ms1_ion_mobility" value="true"/> | |
21744 <param name="matching_window_only" value="false"/> | |
21745 <param name="irt_mz_extraction_window" value="0.05"/> | |
21746 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
21747 <param name="irt_im_extraction_window" value="-1.0"/> | |
21748 <param name="min_rsq" value="0.95"/> | |
21749 <param name="min_coverage" value="0.6"/> | |
21750 <param name="split_file_input" value="false"/> | |
21751 <param name="use_elution_model_score" value="false"/> | |
21752 <param name="readOptions" value="normal"/> | |
21753 <param name="mz_correction_function" value="none"/> | |
21754 <param name="extraction_function" value="tophat"/> | |
21755 <param name="batchSize" value="250"/> | |
21756 <param name="ms1_isotopes" value="0"/> | |
21757 <param name="force" value="false"/> | |
21758 <param name="test" value="true"/> | |
21759 </conditional> | |
21760 <param name="in" value="OpenSwathWorkflow_1_input.mzML"/> | |
21761 <param name="tr" value="OpenSwathWorkflow_1_input.TraML"/> | |
21762 <param name="tr_type" value=""/> | |
21763 <output name="out_features" file="OpenSwathWorkflow_20_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21764 <param name="sonar" value="false"/> | |
21765 <param name="rt_extraction_window" value="600.0"/> | |
21766 <param name="ion_mobility_window" value="-1.0"/> | |
21767 <param name="mz_extraction_window" value="0.05"/> | |
21768 <param name="mz_extraction_window_ms1" value="0.05"/> | |
21769 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21770 <section name="Debugging"/> | |
21771 <section name="Calibration"> | |
21772 <param name="ms1_im_calibration" value="false"/> | |
21773 <param name="im_correction_function" value="linear"/> | |
21774 <param name="debug_im_file" value=""/> | |
21775 <param name="debug_mz_file" value=""/> | |
21776 </section> | |
21777 <section name="Library"> | |
21778 <param name="retentionTimeInterpretation" value="iRT"/> | |
21779 <param name="override_group_label_check" value="false"/> | |
21780 <param name="force_invalid_mods" value="false"/> | |
21781 </section> | |
21782 <section name="RTNormalization"> | |
21783 <param name="alignmentMethod" value="linear"/> | |
21784 <param name="outlierMethod" value="iter_residual"/> | |
21785 <param name="useIterativeChauvenet" value="false"/> | |
21786 <param name="RANSACMaxIterations" value="1000"/> | |
21787 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21788 <param name="RANSACSamplingSize" value="10"/> | |
21789 <param name="estimateBestPeptides" value="false"/> | |
21790 <param name="InitialQualityCutoff" value="0.5"/> | |
21791 <param name="OverallQualityCutoff" value="5.5"/> | |
21792 <param name="NrRTBins" value="10"/> | |
21793 <param name="MinPeptidesPerBin" value="1"/> | |
21794 <param name="MinBinsFilled" value="8"/> | |
21795 <section name="lowess"> | |
21796 <param name="span" value="0.666666666666667"/> | |
21797 </section> | |
21798 <section name="b_spline"> | |
21799 <param name="num_nodes" value="5"/> | |
21800 </section> | |
21801 </section> | |
21802 <section name="Scoring"> | |
21803 <param name="stop_report_after_feature" value="5"/> | |
21804 <param name="rt_normalization_factor" value="100.0"/> | |
21805 <param name="quantification_cutoff" value="0.0"/> | |
21806 <param name="write_convex_hull" value="false"/> | |
21807 <param name="spectrum_addition_method" value="simple"/> | |
21808 <param name="add_up_spectra" value="1"/> | |
21809 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21810 <param name="uis_threshold_sn" value="0"/> | |
21811 <param name="uis_threshold_peak_area" value="0"/> | |
21812 <param name="scoring_model" value="default"/> | |
21813 <param name="im_extra_drift" value="0.0"/> | |
21814 <section name="TransitionGroupPicker"> | |
21815 <param name="stop_after_feature" value="-1"/> | |
21816 <param name="min_peak_width" value="-1.0"/> | |
21817 <param name="peak_integration" value="original"/> | |
21818 <param name="background_subtraction" value="none"/> | |
21819 <param name="recalculate_peaks" value="true"/> | |
21820 <param name="use_precursors" value="false"/> | |
21821 <param name="use_consensus" value="true"/> | |
21822 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21823 <param name="minimal_quality" value="-1.5"/> | |
21824 <param name="resample_boundary" value="15.0"/> | |
21825 <param name="compute_peak_quality" value="true"/> | |
21826 <param name="compute_peak_shape_metrics" value="false"/> | |
21827 <param name="compute_total_mi" value="false"/> | |
21828 <param name="boundary_selection_method" value="largest"/> | |
21829 <section name="PeakPickerMRM"> | |
21830 <param name="sgolay_frame_length" value="11"/> | |
21831 <param name="sgolay_polynomial_order" value="3"/> | |
21832 <param name="gauss_width" value="30.0"/> | |
21833 <param name="use_gauss" value="false"/> | |
21834 <param name="peak_width" value="-1.0"/> | |
21835 <param name="signal_to_noise" value="0.1"/> | |
21836 <param name="write_sn_log_messages" value="false"/> | |
21837 <param name="remove_overlapping_peaks" value="true"/> | |
21838 <param name="method" value="corrected"/> | |
21839 </section> | |
21840 <section name="PeakIntegrator"> | |
21841 <param name="integration_type" value="intensity_sum"/> | |
21842 <param name="baseline_type" value="base_to_base"/> | |
21843 <param name="fit_EMG" value="false"/> | |
21844 </section> | |
21845 </section> | |
21846 <section name="DIAScoring"> | |
21847 <param name="dia_extraction_window" value="0.05"/> | |
21848 <param name="dia_extraction_unit" value="Th"/> | |
21849 <param name="dia_centroided" value="false"/> | |
21850 <param name="dia_byseries_intensity_min" value="300.0"/> | |
21851 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
21852 <param name="dia_nr_isotopes" value="4"/> | |
21853 <param name="dia_nr_charges" value="4"/> | |
21854 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
21855 </section> | |
21856 <section name="EMGScoring"> | |
21857 <param name="max_iteration" value="10"/> | |
21858 </section> | |
21859 <section name="Scores"> | |
21860 <param name="use_shape_score" value="true"/> | |
21861 <param name="use_coelution_score" value="true"/> | |
21862 <param name="use_rt_score" value="true"/> | |
21863 <param name="use_library_score" value="true"/> | |
21864 <param name="use_intensity_score" value="true"/> | |
21865 <param name="use_nr_peaks_score" value="true"/> | |
21866 <param name="use_total_xic_score" value="true"/> | |
21867 <param name="use_total_mi_score" value="true"/> | |
21868 <param name="use_sn_score" value="true"/> | |
21869 <param name="use_mi_score" value="true"/> | |
21870 <param name="use_dia_scores" value="true"/> | |
21871 <param name="use_ms1_correlation" value="false"/> | |
21872 <param name="use_sonar_scores" value="false"/> | |
21873 <param name="use_ion_mobility_scores" value="false"/> | |
21874 <param name="use_ms1_fullscan" value="false"/> | |
21875 <param name="use_ms1_mi" value="false"/> | |
21876 <param name="use_uis_scores" value="false"/> | |
21877 </section> | |
21878 </section> | |
21879 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG"/> | |
21880 <output name="ctd_out" ftype="xml"> | |
21881 <assert_contents> | |
21882 <is_valid_xml/> | |
21883 </assert_contents> | |
21884 </output> | |
21885 </test> | |
21886 <test expect_num_outputs="4"> | |
21887 <conditional name="adv_opts_cond"> | |
21888 <param name="adv_opts_selector" value="advanced"/> | |
21889 <param name="sort_swath_maps" value="false"/> | |
21890 <param name="use_ms1_traces" value="true"/> | |
21891 <param name="enable_uis_scoring" value="false"/> | |
21892 <param name="out_chrom_type" value="mzML"/> | |
21893 <param name="min_upper_edge_dist" value="0.0"/> | |
21894 <param name="extra_rt_extraction_window" value="0.0"/> | |
21895 <param name="mz_extraction_window_unit" value="Th"/> | |
21896 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
21897 <param name="use_ms1_ion_mobility" value="true"/> | |
21898 <param name="matching_window_only" value="false"/> | |
21899 <param name="irt_mz_extraction_window" value="0.05"/> | |
21900 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
21901 <param name="irt_im_extraction_window" value="-1.0"/> | |
21902 <param name="min_rsq" value="0.95"/> | |
21903 <param name="min_coverage" value="0.6"/> | |
21904 <param name="split_file_input" value="false"/> | |
21905 <param name="use_elution_model_score" value="false"/> | |
21906 <param name="readOptions" value="normal"/> | |
21907 <param name="mz_correction_function" value="none"/> | |
21908 <param name="extraction_function" value="tophat"/> | |
21909 <param name="batchSize" value="250"/> | |
21910 <param name="ms1_isotopes" value="0"/> | |
21911 <param name="force" value="false"/> | |
21912 <param name="test" value="true"/> | |
21913 </conditional> | |
21914 <param name="in" value="OpenSwathWorkflow_21_input.mzML"/> | |
21915 <param name="tr" value="OpenSwathWorkflow_21_input.tsv" ftype="tabular"/> | |
21916 <param name="tr_type" value=""/> | |
21917 <param name="tr_irt" value="OpenSwathWorkflow_21_input.irt.TraML"/> | |
21918 <output name="out_features" file="OpenSwathWorkflow_21_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
21919 <output name="out_chrom" file="OpenSwathWorkflow_21_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
21920 <param name="sonar" value="false"/> | |
21921 <param name="rt_extraction_window" value="600.0"/> | |
21922 <param name="ion_mobility_window" value="-1.0"/> | |
21923 <param name="mz_extraction_window" value="0.05"/> | |
21924 <param name="mz_extraction_window_ms1" value="0.05"/> | |
21925 <param name="im_extraction_window_ms1" value="-1.0"/> | |
21926 <section name="Debugging"/> | |
21927 <output name="Debugging_irt_trafo" file="OpenSwathWorkflow_21_output.trafoXML" compare="sim_size" delta="5700" ftype="trafoxml"/> | |
21928 <section name="Calibration"> | |
21929 <param name="ms1_im_calibration" value="false"/> | |
21930 <param name="im_correction_function" value="linear"/> | |
21931 <param name="debug_im_file" value=""/> | |
21932 <param name="debug_mz_file" value=""/> | |
21933 </section> | |
21934 <section name="Library"> | |
21935 <param name="retentionTimeInterpretation" value="iRT"/> | |
21936 <param name="override_group_label_check" value="false"/> | |
21937 <param name="force_invalid_mods" value="false"/> | |
21938 </section> | |
21939 <section name="RTNormalization"> | |
21940 <param name="alignmentMethod" value="linear"/> | |
21941 <param name="outlierMethod" value="iter_residual"/> | |
21942 <param name="useIterativeChauvenet" value="false"/> | |
21943 <param name="RANSACMaxIterations" value="1000"/> | |
21944 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
21945 <param name="RANSACSamplingSize" value="10"/> | |
21946 <param name="estimateBestPeptides" value="false"/> | |
21947 <param name="InitialQualityCutoff" value="0.5"/> | |
21948 <param name="OverallQualityCutoff" value="5.5"/> | |
21949 <param name="NrRTBins" value="10"/> | |
21950 <param name="MinPeptidesPerBin" value="1"/> | |
21951 <param name="MinBinsFilled" value="8"/> | |
21952 <section name="lowess"> | |
21953 <param name="span" value="0.666666666666667"/> | |
21954 </section> | |
21955 <section name="b_spline"> | |
21956 <param name="num_nodes" value="5"/> | |
21957 </section> | |
21958 </section> | |
21959 <section name="Scoring"> | |
21960 <param name="stop_report_after_feature" value="5"/> | |
21961 <param name="rt_normalization_factor" value="100.0"/> | |
21962 <param name="quantification_cutoff" value="0.0"/> | |
21963 <param name="write_convex_hull" value="false"/> | |
21964 <param name="spectrum_addition_method" value="simple"/> | |
21965 <param name="add_up_spectra" value="1"/> | |
21966 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
21967 <param name="uis_threshold_sn" value="0"/> | |
21968 <param name="uis_threshold_peak_area" value="0"/> | |
21969 <param name="scoring_model" value="default"/> | |
21970 <param name="im_extra_drift" value="0.0"/> | |
21971 <section name="TransitionGroupPicker"> | |
21972 <param name="stop_after_feature" value="-1"/> | |
21973 <param name="min_peak_width" value="-1.0"/> | |
21974 <param name="peak_integration" value="original"/> | |
21975 <param name="background_subtraction" value="none"/> | |
21976 <param name="recalculate_peaks" value="true"/> | |
21977 <param name="use_precursors" value="false"/> | |
21978 <param name="use_consensus" value="true"/> | |
21979 <param name="recalculate_peaks_max_z" value="0.75"/> | |
21980 <param name="minimal_quality" value="-1.5"/> | |
21981 <param name="resample_boundary" value="15.0"/> | |
21982 <param name="compute_peak_quality" value="true"/> | |
21983 <param name="compute_peak_shape_metrics" value="false"/> | |
21984 <param name="compute_total_mi" value="false"/> | |
21985 <param name="boundary_selection_method" value="largest"/> | |
21986 <section name="PeakPickerMRM"> | |
21987 <param name="sgolay_frame_length" value="11"/> | |
21988 <param name="sgolay_polynomial_order" value="3"/> | |
21989 <param name="gauss_width" value="30.0"/> | |
21990 <param name="use_gauss" value="false"/> | |
21991 <param name="peak_width" value="-1.0"/> | |
21992 <param name="signal_to_noise" value="0.1"/> | |
21993 <param name="write_sn_log_messages" value="false"/> | |
21994 <param name="remove_overlapping_peaks" value="true"/> | |
21995 <param name="method" value="corrected"/> | |
21996 </section> | |
21997 <section name="PeakIntegrator"> | |
21998 <param name="integration_type" value="intensity_sum"/> | |
21999 <param name="baseline_type" value="base_to_base"/> | |
22000 <param name="fit_EMG" value="false"/> | |
22001 </section> | |
22002 </section> | |
22003 <section name="DIAScoring"> | |
22004 <param name="dia_extraction_window" value="0.05"/> | |
22005 <param name="dia_extraction_unit" value="Th"/> | |
22006 <param name="dia_centroided" value="false"/> | |
22007 <param name="dia_byseries_intensity_min" value="300.0"/> | |
22008 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
22009 <param name="dia_nr_isotopes" value="4"/> | |
22010 <param name="dia_nr_charges" value="4"/> | |
22011 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
22012 </section> | |
22013 <section name="EMGScoring"> | |
22014 <param name="max_iteration" value="10"/> | |
22015 </section> | |
22016 <section name="Scores"> | |
22017 <param name="use_shape_score" value="true"/> | |
22018 <param name="use_coelution_score" value="true"/> | |
22019 <param name="use_rt_score" value="true"/> | |
22020 <param name="use_library_score" value="true"/> | |
22021 <param name="use_intensity_score" value="true"/> | |
22022 <param name="use_nr_peaks_score" value="true"/> | |
22023 <param name="use_total_xic_score" value="true"/> | |
22024 <param name="use_total_mi_score" value="true"/> | |
22025 <param name="use_sn_score" value="true"/> | |
22026 <param name="use_mi_score" value="true"/> | |
22027 <param name="use_dia_scores" value="true"/> | |
22028 <param name="use_ms1_correlation" value="false"/> | |
22029 <param name="use_sonar_scores" value="false"/> | |
22030 <param name="use_ion_mobility_scores" value="false"/> | |
22031 <param name="use_ms1_fullscan" value="false"/> | |
22032 <param name="use_ms1_mi" value="false"/> | |
22033 <param name="use_uis_scores" value="false"/> | |
22034 </section> | |
22035 </section> | |
22036 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG,irt_trafo_FLAG"/> | |
22037 <output name="ctd_out" ftype="xml"> | |
22038 <assert_contents> | |
22039 <is_valid_xml/> | |
22040 </assert_contents> | |
22041 </output> | |
22042 </test> | |
22043 <test expect_num_outputs="3"> | |
22044 <conditional name="adv_opts_cond"> | |
22045 <param name="adv_opts_selector" value="advanced"/> | |
22046 <param name="sort_swath_maps" value="false"/> | |
22047 <param name="use_ms1_traces" value="true"/> | |
22048 <param name="enable_uis_scoring" value="false"/> | |
22049 <param name="out_chrom_type" value="mzML"/> | |
22050 <param name="min_upper_edge_dist" value="0.0"/> | |
22051 <param name="extra_rt_extraction_window" value="0.0"/> | |
22052 <param name="mz_extraction_window_unit" value="Th"/> | |
22053 <param name="mz_extraction_window_ms1_unit" value="Th"/> | |
22054 <param name="use_ms1_ion_mobility" value="true"/> | |
22055 <param name="matching_window_only" value="true"/> | |
22056 <param name="irt_mz_extraction_window" value="0.05"/> | |
22057 <param name="irt_mz_extraction_window_unit" value="Th"/> | |
22058 <param name="irt_im_extraction_window" value="-1.0"/> | |
22059 <param name="min_rsq" value="0.95"/> | |
22060 <param name="min_coverage" value="0.6"/> | |
22061 <param name="split_file_input" value="false"/> | |
22062 <param name="use_elution_model_score" value="false"/> | |
22063 <param name="readOptions" value="workingInMemory"/> | |
22064 <param name="mz_correction_function" value="none"/> | |
22065 <param name="extraction_function" value="tophat"/> | |
22066 <param name="batchSize" value="250"/> | |
22067 <param name="ms1_isotopes" value="3"/> | |
22068 <param name="force" value="false"/> | |
22069 <param name="test" value="true"/> | |
22070 </conditional> | |
22071 <param name="in" value="OpenSwathWorkflow_22_input.mzML"/> | |
22072 <param name="tr" value="OpenSwathWorkflow_22_input.tsv" ftype="tabular"/> | |
22073 <param name="tr_type" value=""/> | |
22074 <output name="out_features" file="OpenSwathWorkflow_22_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
22075 <output name="out_chrom" file="OpenSwathWorkflow_22_output.chrom.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22076 <param name="sonar" value="false"/> | |
22077 <param name="rt_extraction_window" value="600.0"/> | |
22078 <param name="ion_mobility_window" value="-1.0"/> | |
22079 <param name="mz_extraction_window" value="0.05"/> | |
22080 <param name="mz_extraction_window_ms1" value="0.05"/> | |
22081 <param name="im_extraction_window_ms1" value="-1.0"/> | |
22082 <section name="Debugging"/> | |
22083 <section name="Calibration"> | |
22084 <param name="ms1_im_calibration" value="false"/> | |
22085 <param name="im_correction_function" value="linear"/> | |
22086 <param name="debug_im_file" value=""/> | |
22087 <param name="debug_mz_file" value=""/> | |
22088 </section> | |
22089 <section name="Library"> | |
22090 <param name="retentionTimeInterpretation" value="iRT"/> | |
22091 <param name="override_group_label_check" value="false"/> | |
22092 <param name="force_invalid_mods" value="false"/> | |
22093 </section> | |
22094 <section name="RTNormalization"> | |
22095 <param name="alignmentMethod" value="linear"/> | |
22096 <param name="outlierMethod" value="iter_residual"/> | |
22097 <param name="useIterativeChauvenet" value="false"/> | |
22098 <param name="RANSACMaxIterations" value="1000"/> | |
22099 <param name="RANSACMaxPercentRTThreshold" value="3"/> | |
22100 <param name="RANSACSamplingSize" value="10"/> | |
22101 <param name="estimateBestPeptides" value="false"/> | |
22102 <param name="InitialQualityCutoff" value="0.5"/> | |
22103 <param name="OverallQualityCutoff" value="5.5"/> | |
22104 <param name="NrRTBins" value="10"/> | |
22105 <param name="MinPeptidesPerBin" value="1"/> | |
22106 <param name="MinBinsFilled" value="8"/> | |
22107 <section name="lowess"> | |
22108 <param name="span" value="0.666666666666667"/> | |
22109 </section> | |
22110 <section name="b_spline"> | |
22111 <param name="num_nodes" value="5"/> | |
22112 </section> | |
22113 </section> | |
22114 <section name="Scoring"> | |
22115 <param name="stop_report_after_feature" value="5"/> | |
22116 <param name="rt_normalization_factor" value="100.0"/> | |
22117 <param name="quantification_cutoff" value="0.0"/> | |
22118 <param name="write_convex_hull" value="false"/> | |
22119 <param name="spectrum_addition_method" value="simple"/> | |
22120 <param name="add_up_spectra" value="1"/> | |
22121 <param name="spacing_for_spectra_resampling" value="0.005"/> | |
22122 <param name="uis_threshold_sn" value="0"/> | |
22123 <param name="uis_threshold_peak_area" value="0"/> | |
22124 <param name="scoring_model" value="default"/> | |
22125 <param name="im_extra_drift" value="0.0"/> | |
22126 <section name="TransitionGroupPicker"> | |
22127 <param name="stop_after_feature" value="-1"/> | |
22128 <param name="min_peak_width" value="-1.0"/> | |
22129 <param name="peak_integration" value="original"/> | |
22130 <param name="background_subtraction" value="none"/> | |
22131 <param name="recalculate_peaks" value="true"/> | |
22132 <param name="use_precursors" value="false"/> | |
22133 <param name="use_consensus" value="true"/> | |
22134 <param name="recalculate_peaks_max_z" value="0.75"/> | |
22135 <param name="minimal_quality" value="-1.5"/> | |
22136 <param name="resample_boundary" value="15.0"/> | |
22137 <param name="compute_peak_quality" value="true"/> | |
22138 <param name="compute_peak_shape_metrics" value="false"/> | |
22139 <param name="compute_total_mi" value="false"/> | |
22140 <param name="boundary_selection_method" value="largest"/> | |
22141 <section name="PeakPickerMRM"> | |
22142 <param name="sgolay_frame_length" value="11"/> | |
22143 <param name="sgolay_polynomial_order" value="3"/> | |
22144 <param name="gauss_width" value="30.0"/> | |
22145 <param name="use_gauss" value="false"/> | |
22146 <param name="peak_width" value="-1.0"/> | |
22147 <param name="signal_to_noise" value="0.1"/> | |
22148 <param name="write_sn_log_messages" value="false"/> | |
22149 <param name="remove_overlapping_peaks" value="true"/> | |
22150 <param name="method" value="corrected"/> | |
22151 </section> | |
22152 <section name="PeakIntegrator"> | |
22153 <param name="integration_type" value="intensity_sum"/> | |
22154 <param name="baseline_type" value="base_to_base"/> | |
22155 <param name="fit_EMG" value="false"/> | |
22156 </section> | |
22157 </section> | |
22158 <section name="DIAScoring"> | |
22159 <param name="dia_extraction_window" value="0.05"/> | |
22160 <param name="dia_extraction_unit" value="Th"/> | |
22161 <param name="dia_centroided" value="false"/> | |
22162 <param name="dia_byseries_intensity_min" value="300.0"/> | |
22163 <param name="dia_byseries_ppm_diff" value="10.0"/> | |
22164 <param name="dia_nr_isotopes" value="4"/> | |
22165 <param name="dia_nr_charges" value="4"/> | |
22166 <param name="peak_before_mono_max_ppm_diff" value="20.0"/> | |
22167 </section> | |
22168 <section name="EMGScoring"> | |
22169 <param name="max_iteration" value="10"/> | |
22170 </section> | |
22171 <section name="Scores"> | |
22172 <param name="use_shape_score" value="true"/> | |
22173 <param name="use_coelution_score" value="true"/> | |
22174 <param name="use_rt_score" value="true"/> | |
22175 <param name="use_library_score" value="true"/> | |
22176 <param name="use_intensity_score" value="true"/> | |
22177 <param name="use_nr_peaks_score" value="true"/> | |
22178 <param name="use_total_xic_score" value="true"/> | |
22179 <param name="use_total_mi_score" value="false"/> | |
22180 <param name="use_sn_score" value="true"/> | |
22181 <param name="use_mi_score" value="false"/> | |
22182 <param name="use_dia_scores" value="true"/> | |
22183 <param name="use_ms1_correlation" value="false"/> | |
22184 <param name="use_sonar_scores" value="false"/> | |
22185 <param name="use_ion_mobility_scores" value="false"/> | |
22186 <param name="use_ms1_fullscan" value="false"/> | |
22187 <param name="use_ms1_mi" value="false"/> | |
22188 <param name="use_uis_scores" value="false"/> | |
22189 </section> | |
22190 </section> | |
22191 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_features_FLAG,out_chrom_FLAG"/> | |
22192 <output name="ctd_out" ftype="xml"> | |
22193 <assert_contents> | |
22194 <is_valid_xml/> | |
22195 </assert_contents> | |
22196 </output> | |
22197 </test> | |
22198 </xml> | |
22199 <xml name="autotest_PeakPickerHiRes"> | |
22200 <test expect_num_outputs="2"> | |
22201 <conditional name="adv_opts_cond"> | |
22202 <param name="adv_opts_selector" value="advanced"/> | |
22203 <param name="processOption" value="inmemory"/> | |
22204 <param name="force" value="false"/> | |
22205 <param name="test" value="true"/> | |
22206 </conditional> | |
22207 <param name="in" value="PeakPickerHiRes_input.mzML"/> | |
22208 <output name="out" file="PeakPickerHiRes_1.tmp" compare="sim_size" delta="5700" ftype="mzml"/> | |
22209 <section name="algorithm"> | |
22210 <param name="signal_to_noise" value="1.0"/> | |
22211 <param name="spacing_difference_gap" value="4.0"/> | |
22212 <param name="spacing_difference" value="1.5"/> | |
22213 <param name="missing" value="1"/> | |
22214 <param name="ms_levels" value="1"/> | |
22215 <param name="report_FWHM" value="true"/> | |
22216 <param name="report_FWHM_unit" value="relative"/> | |
22217 <section name="SignalToNoise"> | |
22218 <param name="max_intensity" value="-1"/> | |
22219 <param name="auto_max_stdev_factor" value="3.0"/> | |
22220 <param name="auto_max_percentile" value="95"/> | |
22221 <param name="auto_mode" value="0"/> | |
22222 <param name="win_len" value="200.0"/> | |
22223 <param name="bin_count" value="30"/> | |
22224 <param name="min_required_elements" value="10"/> | |
22225 <param name="noise_for_empty_window" value="1e+20"/> | |
22226 <param name="write_log_messages" value="true"/> | |
22227 </section> | |
22228 </section> | |
22229 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22230 <output name="ctd_out" ftype="xml"> | |
22231 <assert_contents> | |
22232 <is_valid_xml/> | |
22233 </assert_contents> | |
22234 </output> | |
22235 </test> | |
22236 <test expect_num_outputs="2"> | |
22237 <conditional name="adv_opts_cond"> | |
22238 <param name="adv_opts_selector" value="advanced"/> | |
22239 <param name="processOption" value="inmemory"/> | |
22240 <param name="force" value="false"/> | |
22241 <param name="test" value="true"/> | |
22242 </conditional> | |
22243 <param name="in" value="PeakPickerHiRes_2_input.mzML"/> | |
22244 <output name="out" file="PeakPickerHiRes_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22245 <section name="algorithm"> | |
22246 <param name="signal_to_noise" value="1.0"/> | |
22247 <param name="spacing_difference_gap" value="4.0"/> | |
22248 <param name="spacing_difference" value="1.5"/> | |
22249 <param name="missing" value="1"/> | |
22250 <param name="ms_levels" value="1"/> | |
22251 <param name="report_FWHM" value="true"/> | |
22252 <param name="report_FWHM_unit" value="relative"/> | |
22253 <section name="SignalToNoise"> | |
22254 <param name="max_intensity" value="-1"/> | |
22255 <param name="auto_max_stdev_factor" value="3.0"/> | |
22256 <param name="auto_max_percentile" value="95"/> | |
22257 <param name="auto_mode" value="0"/> | |
22258 <param name="win_len" value="200.0"/> | |
22259 <param name="bin_count" value="30"/> | |
22260 <param name="min_required_elements" value="10"/> | |
22261 <param name="noise_for_empty_window" value="1e+20"/> | |
22262 <param name="write_log_messages" value="true"/> | |
22263 </section> | |
22264 </section> | |
22265 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22266 <output name="ctd_out" ftype="xml"> | |
22267 <assert_contents> | |
22268 <is_valid_xml/> | |
22269 </assert_contents> | |
22270 </output> | |
22271 </test> | |
22272 <test expect_num_outputs="2"> | |
22273 <conditional name="adv_opts_cond"> | |
22274 <param name="adv_opts_selector" value="advanced"/> | |
22275 <param name="processOption" value="lowmemory"/> | |
22276 <param name="force" value="false"/> | |
22277 <param name="test" value="true"/> | |
22278 </conditional> | |
22279 <param name="in" value="PeakPickerHiRes_input.mzML"/> | |
22280 <output name="out" file="PeakPickerHiRes_output_lowMem.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22281 <section name="algorithm"> | |
22282 <param name="signal_to_noise" value="1.0"/> | |
22283 <param name="spacing_difference_gap" value="4.0"/> | |
22284 <param name="spacing_difference" value="1.5"/> | |
22285 <param name="missing" value="1"/> | |
22286 <param name="ms_levels" value="1"/> | |
22287 <param name="report_FWHM" value="true"/> | |
22288 <param name="report_FWHM_unit" value="relative"/> | |
22289 <section name="SignalToNoise"> | |
22290 <param name="max_intensity" value="-1"/> | |
22291 <param name="auto_max_stdev_factor" value="3.0"/> | |
22292 <param name="auto_max_percentile" value="95"/> | |
22293 <param name="auto_mode" value="0"/> | |
22294 <param name="win_len" value="200.0"/> | |
22295 <param name="bin_count" value="30"/> | |
22296 <param name="min_required_elements" value="10"/> | |
22297 <param name="noise_for_empty_window" value="1e+20"/> | |
22298 <param name="write_log_messages" value="true"/> | |
22299 </section> | |
22300 </section> | |
22301 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22302 <output name="ctd_out" ftype="xml"> | |
22303 <assert_contents> | |
22304 <is_valid_xml/> | |
22305 </assert_contents> | |
22306 </output> | |
22307 </test> | |
22308 <test expect_num_outputs="2"> | |
22309 <conditional name="adv_opts_cond"> | |
22310 <param name="adv_opts_selector" value="advanced"/> | |
22311 <param name="processOption" value="lowmemory"/> | |
22312 <param name="force" value="false"/> | |
22313 <param name="test" value="true"/> | |
22314 </conditional> | |
22315 <param name="in" value="PeakPickerHiRes_2_input.mzML"/> | |
22316 <output name="out" file="PeakPickerHiRes_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22317 <section name="algorithm"> | |
22318 <param name="signal_to_noise" value="1.0"/> | |
22319 <param name="spacing_difference_gap" value="4.0"/> | |
22320 <param name="spacing_difference" value="1.5"/> | |
22321 <param name="missing" value="1"/> | |
22322 <param name="ms_levels" value="1"/> | |
22323 <param name="report_FWHM" value="true"/> | |
22324 <param name="report_FWHM_unit" value="relative"/> | |
22325 <section name="SignalToNoise"> | |
22326 <param name="max_intensity" value="-1"/> | |
22327 <param name="auto_max_stdev_factor" value="3.0"/> | |
22328 <param name="auto_max_percentile" value="95"/> | |
22329 <param name="auto_mode" value="0"/> | |
22330 <param name="win_len" value="200.0"/> | |
22331 <param name="bin_count" value="30"/> | |
22332 <param name="min_required_elements" value="10"/> | |
22333 <param name="noise_for_empty_window" value="1e+20"/> | |
22334 <param name="write_log_messages" value="true"/> | |
22335 </section> | |
22336 </section> | |
22337 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22338 <output name="ctd_out" ftype="xml"> | |
22339 <assert_contents> | |
22340 <is_valid_xml/> | |
22341 </assert_contents> | |
22342 </output> | |
22343 </test> | |
22344 <test expect_num_outputs="2"> | |
22345 <conditional name="adv_opts_cond"> | |
22346 <param name="adv_opts_selector" value="advanced"/> | |
22347 <param name="processOption" value="inmemory"/> | |
22348 <param name="force" value="false"/> | |
22349 <param name="test" value="true"/> | |
22350 </conditional> | |
22351 <param name="in" value="PeakPickerHiRes_5_input.mzML"/> | |
22352 <output name="out" file="PeakPickerHiRes_5_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22353 <section name="algorithm"> | |
22354 <param name="signal_to_noise" value="0.0"/> | |
22355 <param name="spacing_difference_gap" value="4.0"/> | |
22356 <param name="spacing_difference" value="1.5"/> | |
22357 <param name="missing" value="1"/> | |
22358 <param name="ms_levels" value=""/> | |
22359 <param name="report_FWHM" value="false"/> | |
22360 <param name="report_FWHM_unit" value="relative"/> | |
22361 <section name="SignalToNoise"> | |
22362 <param name="max_intensity" value="-1"/> | |
22363 <param name="auto_max_stdev_factor" value="3.0"/> | |
22364 <param name="auto_max_percentile" value="95"/> | |
22365 <param name="auto_mode" value="0"/> | |
22366 <param name="win_len" value="200.0"/> | |
22367 <param name="bin_count" value="30"/> | |
22368 <param name="min_required_elements" value="10"/> | |
22369 <param name="noise_for_empty_window" value="1e+20"/> | |
22370 <param name="write_log_messages" value="true"/> | |
22371 </section> | |
22372 </section> | |
22373 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22374 <output name="ctd_out" ftype="xml"> | |
22375 <assert_contents> | |
22376 <is_valid_xml/> | |
22377 </assert_contents> | |
22378 </output> | |
22379 </test> | |
22380 </xml> | |
22381 <xml name="autotest_PeakPickerIterative"> | |
22382 <test expect_num_outputs="2"> | |
22383 <conditional name="adv_opts_cond"> | |
22384 <param name="adv_opts_selector" value="advanced"/> | |
22385 <param name="force" value="false"/> | |
22386 <param name="test" value="true"/> | |
22387 </conditional> | |
22388 <param name="in" value="PeakPickerIterative_1_input.mzML"/> | |
22389 <output name="out" file="PeakPickerIterative_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22390 <section name="algorithm"> | |
22391 <param name="signal_to_noise_" value="1.0"/> | |
22392 <param name="peak_width" value="0.04"/> | |
22393 <param name="spacing_difference" value="1.5"/> | |
22394 <param name="sn_bin_count_" value="30"/> | |
22395 <param name="nr_iterations_" value="5"/> | |
22396 <param name="sn_win_len_" value="20.0"/> | |
22397 <param name="check_width_internally" value="false"/> | |
22398 <param name="ms1_only" value="false"/> | |
22399 <param name="clear_meta_data" value="false"/> | |
22400 </section> | |
22401 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22402 <output name="ctd_out" ftype="xml"> | |
22403 <assert_contents> | |
22404 <is_valid_xml/> | |
22405 </assert_contents> | |
22406 </output> | |
22407 </test> | |
22408 <test expect_num_outputs="2"> | |
22409 <conditional name="adv_opts_cond"> | |
22410 <param name="adv_opts_selector" value="advanced"/> | |
22411 <param name="force" value="false"/> | |
22412 <param name="test" value="true"/> | |
22413 </conditional> | |
22414 <param name="in" value="PeakPickerIterative_2_input.mzML"/> | |
22415 <output name="out" file="PeakPickerIterative_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22416 <section name="algorithm"> | |
22417 <param name="signal_to_noise_" value="0.0"/> | |
22418 <param name="peak_width" value="0.04"/> | |
22419 <param name="spacing_difference" value="2.5"/> | |
22420 <param name="sn_bin_count_" value="30"/> | |
22421 <param name="nr_iterations_" value="5"/> | |
22422 <param name="sn_win_len_" value="20.0"/> | |
22423 <param name="check_width_internally" value="true"/> | |
22424 <param name="ms1_only" value="false"/> | |
22425 <param name="clear_meta_data" value="false"/> | |
22426 </section> | |
22427 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22428 <output name="ctd_out" ftype="xml"> | |
22429 <assert_contents> | |
22430 <is_valid_xml/> | |
22431 </assert_contents> | |
22432 </output> | |
22433 </test> | |
22434 </xml> | |
22435 <xml name="autotest_PeakPickerWavelet"> | |
22436 <test expect_num_outputs="2"> | |
22437 <conditional name="adv_opts_cond"> | |
22438 <param name="adv_opts_selector" value="advanced"/> | |
22439 <param name="write_peak_meta_data" value="true"/> | |
22440 <param name="force" value="false"/> | |
22441 <param name="test" value="true"/> | |
22442 </conditional> | |
22443 <param name="in" value="PeakPickerWavelet_input.mzML"/> | |
22444 <output name="out" file="PeakPickerWavelet_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22445 <section name="algorithm"> | |
22446 <param name="signal_to_noise" value="3.0"/> | |
22447 <param name="centroid_percentage" value="0.6"/> | |
22448 <param name="peak_width" value="0.2"/> | |
22449 <param name="estimate_peak_width" value="false"/> | |
22450 <param name="fwhm_lower_bound_factor" value="0.5"/> | |
22451 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
22452 <section name="optimization"> | |
22453 <param name="iterations" value="400"/> | |
22454 <section name="penalties"> | |
22455 <param name="position" value="0.0"/> | |
22456 <param name="left_width" value="1.0"/> | |
22457 <param name="right_width" value="1.0"/> | |
22458 <param name="height" value="1.0"/> | |
22459 </section> | |
22460 <section name="2d"> | |
22461 <param name="tolerance_mz" value="2.2"/> | |
22462 <param name="max_peak_distance" value="1.2"/> | |
22463 </section> | |
22464 </section> | |
22465 <section name="thresholds"> | |
22466 <param name="peak_bound" value="100.0"/> | |
22467 <param name="peak_bound_ms2_level" value="10.0"/> | |
22468 <param name="correlation" value="0.5"/> | |
22469 <param name="noise_level" value="0.1"/> | |
22470 <param name="search_radius" value="3"/> | |
22471 </section> | |
22472 <section name="wavelet_transform"> | |
22473 <param name="spacing" value="0.001"/> | |
22474 </section> | |
22475 <section name="deconvolution"> | |
22476 <param name="deconvolution" value="false"/> | |
22477 <param name="asym_threshold" value="0.3"/> | |
22478 <param name="left_width" value="2.0"/> | |
22479 <param name="right_width" value="2.0"/> | |
22480 <param name="scaling" value="0.12"/> | |
22481 <section name="fitting"> | |
22482 <param name="fwhm_threshold" value="0.7"/> | |
22483 <param name="eps_abs" value="9.999999747378752e-06"/> | |
22484 <param name="eps_rel" value="9.999999747378752e-06"/> | |
22485 <param name="max_iteration" value="10"/> | |
22486 <section name="penalties"> | |
22487 <param name="position" value="0.0"/> | |
22488 <param name="height" value="1.0"/> | |
22489 <param name="left_width" value="0.0"/> | |
22490 <param name="right_width" value="0.0"/> | |
22491 </section> | |
22492 </section> | |
22493 </section> | |
22494 <section name="SignalToNoiseEstimationParameter"> | |
22495 <param name="max_intensity" value="-1"/> | |
22496 <param name="auto_max_stdev_factor" value="3.0"/> | |
22497 <param name="auto_max_percentile" value="95"/> | |
22498 <param name="auto_mode" value="0"/> | |
22499 <param name="win_len" value="200.0"/> | |
22500 <param name="bin_count" value="30"/> | |
22501 <param name="stdev_mp" value="3.0"/> | |
22502 <param name="min_required_elements" value="10"/> | |
22503 <param name="noise_for_empty_window" value="1e+20"/> | |
22504 </section> | |
22505 </section> | |
22506 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22507 <output name="ctd_out" ftype="xml"> | |
22508 <assert_contents> | |
22509 <is_valid_xml/> | |
22510 </assert_contents> | |
22511 </output> | |
22512 </test> | |
22513 <test expect_num_outputs="2"> | |
22514 <conditional name="adv_opts_cond"> | |
22515 <param name="adv_opts_selector" value="advanced"/> | |
22516 <param name="write_peak_meta_data" value="true"/> | |
22517 <param name="force" value="false"/> | |
22518 <param name="test" value="true"/> | |
22519 </conditional> | |
22520 <param name="in" value="PeakPickerWavelet_deconv_input.mzML"/> | |
22521 <output name="out" file="PeakPickerWavelet_deconv_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22522 <section name="algorithm"> | |
22523 <param name="signal_to_noise" value="2.0"/> | |
22524 <param name="centroid_percentage" value="0.8"/> | |
22525 <param name="peak_width" value="0.15"/> | |
22526 <param name="estimate_peak_width" value="false"/> | |
22527 <param name="fwhm_lower_bound_factor" value="1.0"/> | |
22528 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
22529 <section name="optimization"> | |
22530 <param name="iterations" value="400"/> | |
22531 <section name="penalties"> | |
22532 <param name="position" value="0.0"/> | |
22533 <param name="left_width" value="1.0"/> | |
22534 <param name="right_width" value="1.0"/> | |
22535 <param name="height" value="1.0"/> | |
22536 </section> | |
22537 <section name="2d"> | |
22538 <param name="tolerance_mz" value="2.2"/> | |
22539 <param name="max_peak_distance" value="1.2"/> | |
22540 </section> | |
22541 </section> | |
22542 <section name="thresholds"> | |
22543 <param name="peak_bound" value="200.0"/> | |
22544 <param name="peak_bound_ms2_level" value="50.0"/> | |
22545 <param name="correlation" value="0.5"/> | |
22546 <param name="noise_level" value="0.1"/> | |
22547 <param name="search_radius" value="3"/> | |
22548 </section> | |
22549 <section name="wavelet_transform"> | |
22550 <param name="spacing" value="0.001"/> | |
22551 </section> | |
22552 <section name="deconvolution"> | |
22553 <param name="deconvolution" value="true"/> | |
22554 <param name="asym_threshold" value="0.3"/> | |
22555 <param name="left_width" value="2.0"/> | |
22556 <param name="right_width" value="2.0"/> | |
22557 <param name="scaling" value="0.1"/> | |
22558 <section name="fitting"> | |
22559 <param name="fwhm_threshold" value="0.7"/> | |
22560 <param name="eps_abs" value="9.999999747378752e-06"/> | |
22561 <param name="eps_rel" value="9.999999747378752e-06"/> | |
22562 <param name="max_iteration" value="100"/> | |
22563 <section name="penalties"> | |
22564 <param name="position" value="1.0"/> | |
22565 <param name="height" value="1.0"/> | |
22566 <param name="left_width" value="0.0"/> | |
22567 <param name="right_width" value="0.0"/> | |
22568 </section> | |
22569 </section> | |
22570 </section> | |
22571 <section name="SignalToNoiseEstimationParameter"> | |
22572 <param name="max_intensity" value="-1"/> | |
22573 <param name="auto_max_stdev_factor" value="3.0"/> | |
22574 <param name="auto_max_percentile" value="95"/> | |
22575 <param name="auto_mode" value="0"/> | |
22576 <param name="win_len" value="200.0"/> | |
22577 <param name="bin_count" value="30"/> | |
22578 <param name="stdev_mp" value="3.0"/> | |
22579 <param name="min_required_elements" value="10"/> | |
22580 <param name="noise_for_empty_window" value="1e+20"/> | |
22581 </section> | |
22582 </section> | |
22583 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22584 <output name="ctd_out" ftype="xml"> | |
22585 <assert_contents> | |
22586 <is_valid_xml/> | |
22587 </assert_contents> | |
22588 </output> | |
22589 </test> | |
22590 <test expect_num_outputs="2"> | |
22591 <conditional name="adv_opts_cond"> | |
22592 <param name="adv_opts_selector" value="advanced"/> | |
22593 <param name="write_peak_meta_data" value="true"/> | |
22594 <param name="force" value="false"/> | |
22595 <param name="test" value="true"/> | |
22596 </conditional> | |
22597 <param name="in" value="PeakPickerWavelet_input.mzML"/> | |
22598 <output name="out" file="PeakPickerWavelet_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22599 <section name="algorithm"> | |
22600 <param name="signal_to_noise" value="3.0"/> | |
22601 <param name="centroid_percentage" value="0.6"/> | |
22602 <param name="peak_width" value="0.2"/> | |
22603 <param name="estimate_peak_width" value="false"/> | |
22604 <param name="fwhm_lower_bound_factor" value="0.5"/> | |
22605 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
22606 <section name="optimization"> | |
22607 <param name="iterations" value="400"/> | |
22608 <section name="penalties"> | |
22609 <param name="position" value="0.0"/> | |
22610 <param name="left_width" value="1.0"/> | |
22611 <param name="right_width" value="1.0"/> | |
22612 <param name="height" value="1.0"/> | |
22613 </section> | |
22614 <section name="2d"> | |
22615 <param name="tolerance_mz" value="2.2"/> | |
22616 <param name="max_peak_distance" value="1.2"/> | |
22617 </section> | |
22618 </section> | |
22619 <section name="thresholds"> | |
22620 <param name="peak_bound" value="100.0"/> | |
22621 <param name="peak_bound_ms2_level" value="10.0"/> | |
22622 <param name="correlation" value="0.5"/> | |
22623 <param name="noise_level" value="0.1"/> | |
22624 <param name="search_radius" value="3"/> | |
22625 </section> | |
22626 <section name="wavelet_transform"> | |
22627 <param name="spacing" value="0.001"/> | |
22628 </section> | |
22629 <section name="deconvolution"> | |
22630 <param name="deconvolution" value="false"/> | |
22631 <param name="asym_threshold" value="0.3"/> | |
22632 <param name="left_width" value="2.0"/> | |
22633 <param name="right_width" value="2.0"/> | |
22634 <param name="scaling" value="0.12"/> | |
22635 <section name="fitting"> | |
22636 <param name="fwhm_threshold" value="0.7"/> | |
22637 <param name="eps_abs" value="9.999999747378752e-06"/> | |
22638 <param name="eps_rel" value="9.999999747378752e-06"/> | |
22639 <param name="max_iteration" value="10"/> | |
22640 <section name="penalties"> | |
22641 <param name="position" value="0.0"/> | |
22642 <param name="height" value="1.0"/> | |
22643 <param name="left_width" value="0.0"/> | |
22644 <param name="right_width" value="0.0"/> | |
22645 </section> | |
22646 </section> | |
22647 </section> | |
22648 <section name="SignalToNoiseEstimationParameter"> | |
22649 <param name="max_intensity" value="-1"/> | |
22650 <param name="auto_max_stdev_factor" value="3.0"/> | |
22651 <param name="auto_max_percentile" value="95"/> | |
22652 <param name="auto_mode" value="0"/> | |
22653 <param name="win_len" value="200.0"/> | |
22654 <param name="bin_count" value="30"/> | |
22655 <param name="stdev_mp" value="3.0"/> | |
22656 <param name="min_required_elements" value="10"/> | |
22657 <param name="noise_for_empty_window" value="1e+20"/> | |
22658 </section> | |
22659 </section> | |
22660 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22661 <output name="ctd_out" ftype="xml"> | |
22662 <assert_contents> | |
22663 <is_valid_xml/> | |
22664 </assert_contents> | |
22665 </output> | |
22666 </test> | |
22667 <test expect_num_outputs="2"> | |
22668 <conditional name="adv_opts_cond"> | |
22669 <param name="adv_opts_selector" value="advanced"/> | |
22670 <param name="write_peak_meta_data" value="false"/> | |
22671 <param name="force" value="false"/> | |
22672 <param name="test" value="true"/> | |
22673 </conditional> | |
22674 <param name="in" value="PeakPickerWavelet_input.mzML"/> | |
22675 <output name="out" file="PeakPickerWavelet_output_noMetaData.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
22676 <section name="algorithm"> | |
22677 <param name="signal_to_noise" value="3.0"/> | |
22678 <param name="centroid_percentage" value="0.6"/> | |
22679 <param name="peak_width" value="0.2"/> | |
22680 <param name="estimate_peak_width" value="false"/> | |
22681 <param name="fwhm_lower_bound_factor" value="0.5"/> | |
22682 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
22683 <section name="optimization"> | |
22684 <param name="iterations" value="400"/> | |
22685 <section name="penalties"> | |
22686 <param name="position" value="0.0"/> | |
22687 <param name="left_width" value="1.0"/> | |
22688 <param name="right_width" value="1.0"/> | |
22689 <param name="height" value="1.0"/> | |
22690 </section> | |
22691 <section name="2d"> | |
22692 <param name="tolerance_mz" value="2.2"/> | |
22693 <param name="max_peak_distance" value="1.2"/> | |
22694 </section> | |
22695 </section> | |
22696 <section name="thresholds"> | |
22697 <param name="peak_bound" value="100.0"/> | |
22698 <param name="peak_bound_ms2_level" value="10.0"/> | |
22699 <param name="correlation" value="0.5"/> | |
22700 <param name="noise_level" value="0.1"/> | |
22701 <param name="search_radius" value="3"/> | |
22702 </section> | |
22703 <section name="wavelet_transform"> | |
22704 <param name="spacing" value="0.001"/> | |
22705 </section> | |
22706 <section name="deconvolution"> | |
22707 <param name="deconvolution" value="false"/> | |
22708 <param name="asym_threshold" value="0.3"/> | |
22709 <param name="left_width" value="2.0"/> | |
22710 <param name="right_width" value="2.0"/> | |
22711 <param name="scaling" value="0.12"/> | |
22712 <section name="fitting"> | |
22713 <param name="fwhm_threshold" value="0.7"/> | |
22714 <param name="eps_abs" value="9.999999747378752e-06"/> | |
22715 <param name="eps_rel" value="9.999999747378752e-06"/> | |
22716 <param name="max_iteration" value="10"/> | |
22717 <section name="penalties"> | |
22718 <param name="position" value="0.0"/> | |
22719 <param name="height" value="1.0"/> | |
22720 <param name="left_width" value="0.0"/> | |
22721 <param name="right_width" value="0.0"/> | |
22722 </section> | |
22723 </section> | |
22724 </section> | |
22725 <section name="SignalToNoiseEstimationParameter"> | |
22726 <param name="max_intensity" value="-1"/> | |
22727 <param name="auto_max_stdev_factor" value="3.0"/> | |
22728 <param name="auto_max_percentile" value="95"/> | |
22729 <param name="auto_mode" value="0"/> | |
22730 <param name="win_len" value="200.0"/> | |
22731 <param name="bin_count" value="30"/> | |
22732 <param name="stdev_mp" value="3.0"/> | |
22733 <param name="min_required_elements" value="10"/> | |
22734 <param name="noise_for_empty_window" value="1e+20"/> | |
22735 </section> | |
22736 </section> | |
22737 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22738 <output name="ctd_out" ftype="xml"> | |
22739 <assert_contents> | |
22740 <is_valid_xml/> | |
22741 </assert_contents> | |
22742 </output> | |
22743 </test> | |
22744 </xml> | |
22745 <xml name="autotest_PepNovoAdapter"> | |
22746 </xml> | |
22747 <xml name="autotest_PeptideIndexer"> | |
22748 <test expect_num_outputs="2"> | |
22749 <conditional name="adv_opts_cond"> | |
22750 <param name="adv_opts_selector" value="advanced"/> | |
22751 <param name="force" value="false"/> | |
22752 <param name="test" value="true"/> | |
22753 </conditional> | |
22754 <param name="in" value="PeptideIndexer_1.idXML"/> | |
22755 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
22756 <output name="out" file="PeptideIndexer_1_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
22757 <param name="decoy_string" value=""/> | |
22758 <param name="decoy_string_position" value="prefix"/> | |
22759 <param name="missing_decoy_action" value="error"/> | |
22760 <param name="write_protein_sequence" value="false"/> | |
22761 <param name="write_protein_description" value="false"/> | |
22762 <param name="keep_unreferenced_proteins" value="false"/> | |
22763 <param name="allow_unmatched" value="true"/> | |
22764 <param name="aaa_max" value="4"/> | |
22765 <param name="mismatches_max" value="0"/> | |
22766 <param name="IL_equivalent" value="false"/> | |
22767 <section name="enzyme"> | |
22768 <param name="name" value="Trypsin"/> | |
22769 <param name="specificity" value="none"/> | |
22770 </section> | |
22771 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22772 <output name="ctd_out" ftype="xml"> | |
22773 <assert_contents> | |
22774 <is_valid_xml/> | |
22775 </assert_contents> | |
22776 </output> | |
22777 </test> | |
22778 <test expect_num_outputs="2"> | |
22779 <conditional name="adv_opts_cond"> | |
22780 <param name="adv_opts_selector" value="advanced"/> | |
22781 <param name="force" value="false"/> | |
22782 <param name="test" value="true"/> | |
22783 </conditional> | |
22784 <param name="in" value="PeptideIndexer_1.idXML"/> | |
22785 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
22786 <output name="out" file="PeptideIndexer_2_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
22787 <param name="decoy_string" value=""/> | |
22788 <param name="decoy_string_position" value="prefix"/> | |
22789 <param name="missing_decoy_action" value="error"/> | |
22790 <param name="write_protein_sequence" value="true"/> | |
22791 <param name="write_protein_description" value="false"/> | |
22792 <param name="keep_unreferenced_proteins" value="false"/> | |
22793 <param name="allow_unmatched" value="true"/> | |
22794 <param name="aaa_max" value="4"/> | |
22795 <param name="mismatches_max" value="0"/> | |
22796 <param name="IL_equivalent" value="false"/> | |
22797 <section name="enzyme"> | |
22798 <param name="name" value="Trypsin"/> | |
22799 <param name="specificity" value="none"/> | |
22800 </section> | |
22801 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22802 <output name="ctd_out" ftype="xml"> | |
22803 <assert_contents> | |
22804 <is_valid_xml/> | |
22805 </assert_contents> | |
22806 </output> | |
22807 </test> | |
22808 <test expect_num_outputs="2"> | |
22809 <conditional name="adv_opts_cond"> | |
22810 <param name="adv_opts_selector" value="advanced"/> | |
22811 <param name="force" value="false"/> | |
22812 <param name="test" value="true"/> | |
22813 </conditional> | |
22814 <param name="in" value="PeptideIndexer_1.idXML"/> | |
22815 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
22816 <output name="out" file="PeptideIndexer_3_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
22817 <param name="decoy_string" value=""/> | |
22818 <param name="decoy_string_position" value="prefix"/> | |
22819 <param name="missing_decoy_action" value="error"/> | |
22820 <param name="write_protein_sequence" value="false"/> | |
22821 <param name="write_protein_description" value="false"/> | |
22822 <param name="keep_unreferenced_proteins" value="true"/> | |
22823 <param name="allow_unmatched" value="true"/> | |
22824 <param name="aaa_max" value="4"/> | |
22825 <param name="mismatches_max" value="0"/> | |
22826 <param name="IL_equivalent" value="false"/> | |
22827 <section name="enzyme"> | |
22828 <param name="name" value="Trypsin"/> | |
22829 <param name="specificity" value="none"/> | |
22830 </section> | |
22831 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22832 <output name="ctd_out" ftype="xml"> | |
22833 <assert_contents> | |
22834 <is_valid_xml/> | |
22835 </assert_contents> | |
22836 </output> | |
22837 </test> | |
22838 <test expect_num_outputs="2"> | |
22839 <conditional name="adv_opts_cond"> | |
22840 <param name="adv_opts_selector" value="advanced"/> | |
22841 <param name="force" value="false"/> | |
22842 <param name="test" value="true"/> | |
22843 </conditional> | |
22844 <param name="in" value="PeptideIndexer_1.idXML"/> | |
22845 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
22846 <output name="out" file="PeptideIndexer_4_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
22847 <param name="decoy_string" value=""/> | |
22848 <param name="decoy_string_position" value="prefix"/> | |
22849 <param name="missing_decoy_action" value="error"/> | |
22850 <param name="write_protein_sequence" value="true"/> | |
22851 <param name="write_protein_description" value="false"/> | |
22852 <param name="keep_unreferenced_proteins" value="false"/> | |
22853 <param name="allow_unmatched" value="true"/> | |
22854 <param name="aaa_max" value="0"/> | |
22855 <param name="mismatches_max" value="0"/> | |
22856 <param name="IL_equivalent" value="false"/> | |
22857 <section name="enzyme"> | |
22858 <param name="name" value="Trypsin"/> | |
22859 <param name="specificity" value="none"/> | |
22860 </section> | |
22861 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22862 <output name="ctd_out" ftype="xml"> | |
22863 <assert_contents> | |
22864 <is_valid_xml/> | |
22865 </assert_contents> | |
22866 </output> | |
22867 </test> | |
22868 <test expect_num_outputs="2"> | |
22869 <conditional name="adv_opts_cond"> | |
22870 <param name="adv_opts_selector" value="advanced"/> | |
22871 <param name="force" value="false"/> | |
22872 <param name="test" value="true"/> | |
22873 </conditional> | |
22874 <param name="in" value="PeptideIndexer_1.idXML"/> | |
22875 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
22876 <output name="out" file="PeptideIndexer_5_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
22877 <param name="decoy_string" value=""/> | |
22878 <param name="decoy_string_position" value="prefix"/> | |
22879 <param name="missing_decoy_action" value="error"/> | |
22880 <param name="write_protein_sequence" value="false"/> | |
22881 <param name="write_protein_description" value="false"/> | |
22882 <param name="keep_unreferenced_proteins" value="false"/> | |
22883 <param name="allow_unmatched" value="true"/> | |
22884 <param name="aaa_max" value="4"/> | |
22885 <param name="mismatches_max" value="0"/> | |
22886 <param name="IL_equivalent" value="false"/> | |
22887 <section name="enzyme"> | |
22888 <param name="name" value="Trypsin"/> | |
22889 <param name="specificity" value="none"/> | |
22890 </section> | |
22891 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22892 <output name="ctd_out" ftype="xml"> | |
22893 <assert_contents> | |
22894 <is_valid_xml/> | |
22895 </assert_contents> | |
22896 </output> | |
22897 </test> | |
22898 <test expect_num_outputs="2"> | |
22899 <conditional name="adv_opts_cond"> | |
22900 <param name="adv_opts_selector" value="advanced"/> | |
22901 <param name="force" value="false"/> | |
22902 <param name="test" value="true"/> | |
22903 </conditional> | |
22904 <param name="in" value="PeptideIndexer_2.idXML"/> | |
22905 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
22906 <output name="out" file="PeptideIndexer_6_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
22907 <param name="decoy_string" value=""/> | |
22908 <param name="decoy_string_position" value="prefix"/> | |
22909 <param name="missing_decoy_action" value="error"/> | |
22910 <param name="write_protein_sequence" value="false"/> | |
22911 <param name="write_protein_description" value="false"/> | |
22912 <param name="keep_unreferenced_proteins" value="false"/> | |
22913 <param name="allow_unmatched" value="true"/> | |
22914 <param name="aaa_max" value="3"/> | |
22915 <param name="mismatches_max" value="0"/> | |
22916 <param name="IL_equivalent" value="false"/> | |
22917 <section name="enzyme"> | |
22918 <param name="name" value="Trypsin"/> | |
22919 <param name="specificity" value="none"/> | |
22920 </section> | |
22921 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22922 <output name="ctd_out" ftype="xml"> | |
22923 <assert_contents> | |
22924 <is_valid_xml/> | |
22925 </assert_contents> | |
22926 </output> | |
22927 </test> | |
22928 <test expect_num_outputs="2"> | |
22929 <conditional name="adv_opts_cond"> | |
22930 <param name="adv_opts_selector" value="advanced"/> | |
22931 <param name="force" value="false"/> | |
22932 <param name="test" value="true"/> | |
22933 </conditional> | |
22934 <param name="in" value="PeptideIndexer_3.idXML"/> | |
22935 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
22936 <output name="out" file="PeptideIndexer_7_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
22937 <param name="decoy_string" value="DECOY_"/> | |
22938 <param name="decoy_string_position" value="prefix"/> | |
22939 <param name="missing_decoy_action" value="error"/> | |
22940 <param name="write_protein_sequence" value="false"/> | |
22941 <param name="write_protein_description" value="false"/> | |
22942 <param name="keep_unreferenced_proteins" value="false"/> | |
22943 <param name="allow_unmatched" value="true"/> | |
22944 <param name="aaa_max" value="4"/> | |
22945 <param name="mismatches_max" value="0"/> | |
22946 <param name="IL_equivalent" value="false"/> | |
22947 <section name="enzyme"> | |
22948 <param name="name" value="Trypsin"/> | |
22949 <param name="specificity" value="full"/> | |
22950 </section> | |
22951 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22952 <output name="ctd_out" ftype="xml"> | |
22953 <assert_contents> | |
22954 <is_valid_xml/> | |
22955 </assert_contents> | |
22956 </output> | |
22957 </test> | |
22958 <test expect_num_outputs="2"> | |
22959 <conditional name="adv_opts_cond"> | |
22960 <param name="adv_opts_selector" value="advanced"/> | |
22961 <param name="force" value="false"/> | |
22962 <param name="test" value="true"/> | |
22963 </conditional> | |
22964 <param name="in" value="PeptideIndexer_3.idXML"/> | |
22965 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
22966 <output name="out" file="PeptideIndexer_8_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
22967 <param name="decoy_string" value=""/> | |
22968 <param name="decoy_string_position" value="prefix"/> | |
22969 <param name="missing_decoy_action" value="error"/> | |
22970 <param name="write_protein_sequence" value="false"/> | |
22971 <param name="write_protein_description" value="false"/> | |
22972 <param name="keep_unreferenced_proteins" value="false"/> | |
22973 <param name="allow_unmatched" value="true"/> | |
22974 <param name="aaa_max" value="4"/> | |
22975 <param name="mismatches_max" value="0"/> | |
22976 <param name="IL_equivalent" value="false"/> | |
22977 <section name="enzyme"> | |
22978 <param name="name" value="Trypsin"/> | |
22979 <param name="specificity" value="semi"/> | |
22980 </section> | |
22981 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
22982 <output name="ctd_out" ftype="xml"> | |
22983 <assert_contents> | |
22984 <is_valid_xml/> | |
22985 </assert_contents> | |
22986 </output> | |
22987 </test> | |
22988 <test expect_num_outputs="2"> | |
22989 <conditional name="adv_opts_cond"> | |
22990 <param name="adv_opts_selector" value="advanced"/> | |
22991 <param name="force" value="false"/> | |
22992 <param name="test" value="true"/> | |
22993 </conditional> | |
22994 <param name="in" value="PeptideIndexer_3.idXML"/> | |
22995 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
22996 <output name="out" file="PeptideIndexer_9_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
22997 <param name="decoy_string" value=""/> | |
22998 <param name="decoy_string_position" value="prefix"/> | |
22999 <param name="missing_decoy_action" value="error"/> | |
23000 <param name="write_protein_sequence" value="false"/> | |
23001 <param name="write_protein_description" value="false"/> | |
23002 <param name="keep_unreferenced_proteins" value="false"/> | |
23003 <param name="allow_unmatched" value="true"/> | |
23004 <param name="aaa_max" value="4"/> | |
23005 <param name="mismatches_max" value="0"/> | |
23006 <param name="IL_equivalent" value="false"/> | |
23007 <section name="enzyme"> | |
23008 <param name="name" value="Trypsin"/> | |
23009 <param name="specificity" value="none"/> | |
23010 </section> | |
23011 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23012 <output name="ctd_out" ftype="xml"> | |
23013 <assert_contents> | |
23014 <is_valid_xml/> | |
23015 </assert_contents> | |
23016 </output> | |
23017 </test> | |
23018 <test expect_num_outputs="2"> | |
23019 <conditional name="adv_opts_cond"> | |
23020 <param name="adv_opts_selector" value="advanced"/> | |
23021 <param name="force" value="false"/> | |
23022 <param name="test" value="true"/> | |
23023 </conditional> | |
23024 <param name="in" value="PeptideIndexer_10_input.idXML"/> | |
23025 <param name="fasta" value="PeptideIndexer_10_input.fasta"/> | |
23026 <output name="out" file="PeptideIndexer_10_output.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23027 <param name="decoy_string" value=""/> | |
23028 <param name="decoy_string_position" value="prefix"/> | |
23029 <param name="missing_decoy_action" value="error"/> | |
23030 <param name="write_protein_sequence" value="true"/> | |
23031 <param name="write_protein_description" value="false"/> | |
23032 <param name="keep_unreferenced_proteins" value="false"/> | |
23033 <param name="allow_unmatched" value="false"/> | |
23034 <param name="aaa_max" value="3"/> | |
23035 <param name="mismatches_max" value="0"/> | |
23036 <param name="IL_equivalent" value="true"/> | |
23037 <section name="enzyme"> | |
23038 <param name="name" value="Trypsin"/> | |
23039 <param name="specificity" value="full"/> | |
23040 </section> | |
23041 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23042 <output name="ctd_out" ftype="xml"> | |
23043 <assert_contents> | |
23044 <is_valid_xml/> | |
23045 </assert_contents> | |
23046 </output> | |
23047 </test> | |
23048 <test expect_num_outputs="2"> | |
23049 <conditional name="adv_opts_cond"> | |
23050 <param name="adv_opts_selector" value="advanced"/> | |
23051 <param name="force" value="false"/> | |
23052 <param name="test" value="true"/> | |
23053 </conditional> | |
23054 <param name="in" value="PeptideIndexer_1.idXML"/> | |
23055 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23056 <output name="out" file="PeptideIndexer_12_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23057 <param name="decoy_string" value=""/> | |
23058 <param name="decoy_string_position" value="prefix"/> | |
23059 <param name="missing_decoy_action" value="error"/> | |
23060 <param name="write_protein_sequence" value="false"/> | |
23061 <param name="write_protein_description" value="false"/> | |
23062 <param name="keep_unreferenced_proteins" value="false"/> | |
23063 <param name="allow_unmatched" value="true"/> | |
23064 <param name="aaa_max" value="4"/> | |
23065 <param name="mismatches_max" value="0"/> | |
23066 <param name="IL_equivalent" value="false"/> | |
23067 <section name="enzyme"> | |
23068 <param name="name" value="Trypsin"/> | |
23069 <param name="specificity" value="none"/> | |
23070 </section> | |
23071 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23072 <output name="ctd_out" ftype="xml"> | |
23073 <assert_contents> | |
23074 <is_valid_xml/> | |
23075 </assert_contents> | |
23076 </output> | |
23077 </test> | |
23078 <test expect_num_outputs="2"> | |
23079 <conditional name="adv_opts_cond"> | |
23080 <param name="adv_opts_selector" value="advanced"/> | |
23081 <param name="force" value="false"/> | |
23082 <param name="test" value="true"/> | |
23083 </conditional> | |
23084 <param name="in" value="empty.idXML"/> | |
23085 <param name="fasta" value="PeptideIndexer_1.fasta"/> | |
23086 <output name="out" file="PeptideIndexer_13_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23087 <param name="decoy_string" value=""/> | |
23088 <param name="decoy_string_position" value="prefix"/> | |
23089 <param name="missing_decoy_action" value="error"/> | |
23090 <param name="write_protein_sequence" value="false"/> | |
23091 <param name="write_protein_description" value="false"/> | |
23092 <param name="keep_unreferenced_proteins" value="false"/> | |
23093 <param name="allow_unmatched" value="false"/> | |
23094 <param name="aaa_max" value="4"/> | |
23095 <param name="mismatches_max" value="0"/> | |
23096 <param name="IL_equivalent" value="false"/> | |
23097 <section name="enzyme"> | |
23098 <param name="name" value="Trypsin"/> | |
23099 <param name="specificity" value="full"/> | |
23100 </section> | |
23101 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23102 <output name="ctd_out" ftype="xml"> | |
23103 <assert_contents> | |
23104 <is_valid_xml/> | |
23105 </assert_contents> | |
23106 </output> | |
23107 </test> | |
23108 <test expect_num_outputs="2"> | |
23109 <conditional name="adv_opts_cond"> | |
23110 <param name="adv_opts_selector" value="advanced"/> | |
23111 <param name="force" value="false"/> | |
23112 <param name="test" value="true"/> | |
23113 </conditional> | |
23114 <param name="in" value="PeptideIndexer_14.idXML"/> | |
23115 <param name="fasta" value="PeptideIndexer_2.fasta"/> | |
23116 <output name="out" file="PeptideIndexer_14_out.tmp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23117 <param name="decoy_string" value=""/> | |
23118 <param name="decoy_string_position" value="prefix"/> | |
23119 <param name="missing_decoy_action" value="error"/> | |
23120 <param name="write_protein_sequence" value="true"/> | |
23121 <param name="write_protein_description" value="false"/> | |
23122 <param name="keep_unreferenced_proteins" value="false"/> | |
23123 <param name="allow_unmatched" value="false"/> | |
23124 <param name="aaa_max" value="4"/> | |
23125 <param name="mismatches_max" value="0"/> | |
23126 <param name="IL_equivalent" value="false"/> | |
23127 <section name="enzyme"> | |
23128 <param name="name" value="Trypsin"/> | |
23129 <param name="specificity" value="none"/> | |
23130 </section> | |
23131 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23132 <output name="ctd_out" ftype="xml"> | |
23133 <assert_contents> | |
23134 <is_valid_xml/> | |
23135 </assert_contents> | |
23136 </output> | |
23137 </test> | |
23138 </xml> | |
23139 <xml name="autotest_PercolatorAdapter"> | |
23140 <test expect_num_outputs="2"> | |
23141 <conditional name="adv_opts_cond"> | |
23142 <param name="adv_opts_selector" value="advanced"/> | |
23143 <param name="generic_feature_set" value="false"/> | |
23144 <param name="subset_max_train" value="0"/> | |
23145 <param name="cpos" value="0.0"/> | |
23146 <param name="cneg" value="0.0"/> | |
23147 <param name="testFDR" value="0.5"/> | |
23148 <param name="trainFDR" value="0.5"/> | |
23149 <param name="maxiter" value="10"/> | |
23150 <param name="quick_validation" value="false"/> | |
23151 <param name="default_direction" value=""/> | |
23152 <param name="verbose" value="2"/> | |
23153 <param name="unitnorm" value="false"/> | |
23154 <param name="test_each_iteration" value="false"/> | |
23155 <param name="override" value="false"/> | |
23156 <param name="seed" value="1"/> | |
23157 <param name="doc" value="0"/> | |
23158 <param name="klammer" value="false"/> | |
23159 <param name="decoy_pattern" value="random"/> | |
23160 <param name="post_processing_tdc" value="false"/> | |
23161 <param name="train_best_positive" value="false"/> | |
23162 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
23163 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
23164 <param name="ipf_min_transition_sn" value="0.0"/> | |
23165 <param name="force" value="false"/> | |
23166 <param name="test" value="true"/> | |
23167 </conditional> | |
23168 <param name="in" value="PercolatorAdapter_1.idXML"/> | |
23169 <output name="out" file="PercolatorAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23170 <param name="out_type" value="idXML"/> | |
23171 <param name="enzyme" value="trypsin"/> | |
23172 <param name="peptide_level_fdrs" value="false"/> | |
23173 <param name="protein_level_fdrs" value="false"/> | |
23174 <param name="osw_level" value="ms2"/> | |
23175 <param name="score_type" value="q-value"/> | |
23176 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23177 <output name="ctd_out" ftype="xml"> | |
23178 <assert_contents> | |
23179 <is_valid_xml/> | |
23180 </assert_contents> | |
23181 </output> | |
23182 </test> | |
23183 <test expect_num_outputs="2"> | |
23184 <conditional name="adv_opts_cond"> | |
23185 <param name="adv_opts_selector" value="advanced"/> | |
23186 <param name="generic_feature_set" value="false"/> | |
23187 <param name="subset_max_train" value="0"/> | |
23188 <param name="cpos" value="0.0"/> | |
23189 <param name="cneg" value="0.0"/> | |
23190 <param name="testFDR" value="0.01"/> | |
23191 <param name="trainFDR" value="0.01"/> | |
23192 <param name="maxiter" value="10"/> | |
23193 <param name="quick_validation" value="false"/> | |
23194 <param name="default_direction" value=""/> | |
23195 <param name="verbose" value="2"/> | |
23196 <param name="unitnorm" value="false"/> | |
23197 <param name="test_each_iteration" value="false"/> | |
23198 <param name="override" value="false"/> | |
23199 <param name="seed" value="1"/> | |
23200 <param name="doc" value="0"/> | |
23201 <param name="klammer" value="false"/> | |
23202 <param name="decoy_pattern" value="random"/> | |
23203 <param name="post_processing_tdc" value="false"/> | |
23204 <param name="train_best_positive" value="false"/> | |
23205 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
23206 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
23207 <param name="ipf_min_transition_sn" value="0.0"/> | |
23208 <param name="force" value="false"/> | |
23209 <param name="test" value="true"/> | |
23210 </conditional> | |
23211 <param name="in_osw" value="PercolatorAdapter_2.osw"/> | |
23212 <output name="out" file="PercolatorAdapter_2_out1.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
23213 <param name="out_type" value="osw"/> | |
23214 <param name="enzyme" value="trypsin"/> | |
23215 <param name="peptide_level_fdrs" value="false"/> | |
23216 <param name="protein_level_fdrs" value="false"/> | |
23217 <param name="osw_level" value="ms1"/> | |
23218 <param name="score_type" value="q-value"/> | |
23219 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23220 <output name="ctd_out" ftype="xml"> | |
23221 <assert_contents> | |
23222 <is_valid_xml/> | |
23223 </assert_contents> | |
23224 </output> | |
23225 </test> | |
23226 <test expect_num_outputs="2"> | |
23227 <conditional name="adv_opts_cond"> | |
23228 <param name="adv_opts_selector" value="advanced"/> | |
23229 <param name="generic_feature_set" value="false"/> | |
23230 <param name="subset_max_train" value="0"/> | |
23231 <param name="cpos" value="0.0"/> | |
23232 <param name="cneg" value="0.0"/> | |
23233 <param name="testFDR" value="0.01"/> | |
23234 <param name="trainFDR" value="0.01"/> | |
23235 <param name="maxiter" value="10"/> | |
23236 <param name="quick_validation" value="false"/> | |
23237 <param name="default_direction" value=""/> | |
23238 <param name="verbose" value="2"/> | |
23239 <param name="unitnorm" value="false"/> | |
23240 <param name="test_each_iteration" value="false"/> | |
23241 <param name="override" value="false"/> | |
23242 <param name="seed" value="1"/> | |
23243 <param name="doc" value="0"/> | |
23244 <param name="klammer" value="false"/> | |
23245 <param name="decoy_pattern" value="random"/> | |
23246 <param name="post_processing_tdc" value="false"/> | |
23247 <param name="train_best_positive" value="false"/> | |
23248 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
23249 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
23250 <param name="ipf_min_transition_sn" value="0.0"/> | |
23251 <param name="force" value="false"/> | |
23252 <param name="test" value="true"/> | |
23253 </conditional> | |
23254 <param name="in_osw" value="PercolatorAdapter_2_out1.osw"/> | |
23255 <output name="out" file="PercolatorAdapter_3_out1.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
23256 <param name="out_type" value="osw"/> | |
23257 <param name="enzyme" value="trypsin"/> | |
23258 <param name="peptide_level_fdrs" value="false"/> | |
23259 <param name="protein_level_fdrs" value="false"/> | |
23260 <param name="osw_level" value="ms2"/> | |
23261 <param name="score_type" value="q-value"/> | |
23262 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23263 <output name="ctd_out" ftype="xml"> | |
23264 <assert_contents> | |
23265 <is_valid_xml/> | |
23266 </assert_contents> | |
23267 </output> | |
23268 </test> | |
23269 <test expect_num_outputs="2"> | |
23270 <conditional name="adv_opts_cond"> | |
23271 <param name="adv_opts_selector" value="advanced"/> | |
23272 <param name="generic_feature_set" value="false"/> | |
23273 <param name="subset_max_train" value="0"/> | |
23274 <param name="cpos" value="0.0"/> | |
23275 <param name="cneg" value="0.0"/> | |
23276 <param name="testFDR" value="0.01"/> | |
23277 <param name="trainFDR" value="0.01"/> | |
23278 <param name="maxiter" value="10"/> | |
23279 <param name="quick_validation" value="false"/> | |
23280 <param name="default_direction" value=""/> | |
23281 <param name="verbose" value="2"/> | |
23282 <param name="unitnorm" value="false"/> | |
23283 <param name="test_each_iteration" value="false"/> | |
23284 <param name="override" value="false"/> | |
23285 <param name="seed" value="1"/> | |
23286 <param name="doc" value="0"/> | |
23287 <param name="klammer" value="false"/> | |
23288 <param name="decoy_pattern" value="random"/> | |
23289 <param name="post_processing_tdc" value="false"/> | |
23290 <param name="train_best_positive" value="false"/> | |
23291 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
23292 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
23293 <param name="ipf_min_transition_sn" value="0.0"/> | |
23294 <param name="force" value="false"/> | |
23295 <param name="test" value="true"/> | |
23296 </conditional> | |
23297 <param name="in_osw" value="PercolatorAdapter_3_out1.osw"/> | |
23298 <output name="out" file="PercolatorAdapter_4_out1.osw" compare="sim_size" delta="5700" ftype="osw"/> | |
23299 <param name="out_type" value="osw"/> | |
23300 <param name="enzyme" value="trypsin"/> | |
23301 <param name="peptide_level_fdrs" value="false"/> | |
23302 <param name="protein_level_fdrs" value="false"/> | |
23303 <param name="osw_level" value="transition"/> | |
23304 <param name="score_type" value="q-value"/> | |
23305 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23306 <output name="ctd_out" ftype="xml"> | |
23307 <assert_contents> | |
23308 <is_valid_xml/> | |
23309 </assert_contents> | |
23310 </output> | |
23311 </test> | |
23312 <test expect_num_outputs="3"> | |
23313 <conditional name="adv_opts_cond"> | |
23314 <param name="adv_opts_selector" value="advanced"/> | |
23315 <param name="generic_feature_set" value="false"/> | |
23316 <param name="subset_max_train" value="0"/> | |
23317 <param name="cpos" value="0.0"/> | |
23318 <param name="cneg" value="0.0"/> | |
23319 <param name="testFDR" value="0.5"/> | |
23320 <param name="trainFDR" value="0.5"/> | |
23321 <param name="maxiter" value="10"/> | |
23322 <param name="quick_validation" value="false"/> | |
23323 <param name="default_direction" value=""/> | |
23324 <param name="verbose" value="2"/> | |
23325 <param name="unitnorm" value="false"/> | |
23326 <param name="test_each_iteration" value="false"/> | |
23327 <param name="override" value="false"/> | |
23328 <param name="seed" value="1"/> | |
23329 <param name="doc" value="0"/> | |
23330 <param name="klammer" value="false"/> | |
23331 <param name="decoy_pattern" value="random"/> | |
23332 <param name="post_processing_tdc" value="false"/> | |
23333 <param name="train_best_positive" value="false"/> | |
23334 <param name="ipf_max_peakgroup_pep" value="0.7"/> | |
23335 <param name="ipf_max_transition_isotope_overlap" value="0.5"/> | |
23336 <param name="ipf_min_transition_sn" value="0.0"/> | |
23337 <param name="force" value="false"/> | |
23338 <param name="test" value="true"/> | |
23339 </conditional> | |
23340 <param name="in" value="PercolatorAdapter_1.idXML"/> | |
23341 <output name="out" file="PercolatorAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23342 <output name="out_pin" file="PercolatorAdapter_1_out1.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
23343 <param name="out_type" value="idXML"/> | |
23344 <param name="enzyme" value="trypsin"/> | |
23345 <param name="peptide_level_fdrs" value="false"/> | |
23346 <param name="protein_level_fdrs" value="false"/> | |
23347 <param name="osw_level" value="ms2"/> | |
23348 <param name="score_type" value="q-value"/> | |
23349 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_pin_FLAG"/> | |
23350 <output name="ctd_out" ftype="xml"> | |
23351 <assert_contents> | |
23352 <is_valid_xml/> | |
23353 </assert_contents> | |
23354 </output> | |
23355 </test> | |
23356 </xml> | |
23357 <xml name="autotest_PhosphoScoring"> | |
23358 </xml> | |
23359 <xml name="autotest_PrecursorIonSelector"> | |
23360 <test expect_num_outputs="2"> | |
23361 <conditional name="adv_opts_cond"> | |
23362 <param name="adv_opts_selector" value="advanced"/> | |
23363 <param name="solver" value="GLPK"/> | |
23364 <param name="force" value="false"/> | |
23365 <param name="test" value="true"/> | |
23366 </conditional> | |
23367 <param name="in" value="PrecursorIonSelector_features.featureXML"/> | |
23368 <param name="ids" value="PrecursorIonSelector_ids.idXML"/> | |
23369 <param name="num_precursors" value="1"/> | |
23370 <param name="load_preprocessing" value="false"/> | |
23371 <param name="store_preprocessing" value="false"/> | |
23372 <param name="simulation" value="true"/> | |
23373 <output name="sim_results" file="PrecursorIonSelector_1_output.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
23374 <param name="db_path" value="PrecursorIonSelector_db.fasta"/> | |
23375 <param name="fixed_modifications" value=""/> | |
23376 <section name="algorithm"> | |
23377 <param name="type" value="IPS"/> | |
23378 <param name="max_iteration" value="10"/> | |
23379 <param name="rt_bin_capacity" value="10"/> | |
23380 <param name="step_size" value="1"/> | |
23381 <param name="peptide_min_prob" value="0.2"/> | |
23382 <param name="sequential_spectrum_order" value="false"/> | |
23383 <section name="MIPFormulation"> | |
23384 <section name="thresholds"> | |
23385 <param name="min_protein_probability" value="0.2"/> | |
23386 <param name="min_protein_id_probability" value="0.95"/> | |
23387 <param name="min_pt_weight" value="0.5"/> | |
23388 <param name="min_mz" value="500.0"/> | |
23389 <param name="max_mz" value="5000.0"/> | |
23390 <param name="min_pred_pep_prob" value="0.5"/> | |
23391 <param name="min_rt_weight" value="0.5"/> | |
23392 <param name="use_peptide_rule" value="true"/> | |
23393 <param name="min_peptide_ids" value="2"/> | |
23394 <param name="min_peptide_probability" value="0.95"/> | |
23395 </section> | |
23396 <section name="combined_ilp"> | |
23397 <param name="k1" value="0.2"/> | |
23398 <param name="k2" value="0.2"/> | |
23399 <param name="k3" value="0.4"/> | |
23400 <param name="scale_matching_probs" value="true"/> | |
23401 </section> | |
23402 <section name="feature_based"> | |
23403 <param name="no_intensity_normalization" value="false"/> | |
23404 <param name="max_number_precursors_per_feature" value="1"/> | |
23405 </section> | |
23406 </section> | |
23407 <section name="Preprocessing"> | |
23408 <param name="precursor_mass_tolerance" value="0.9"/> | |
23409 <param name="precursor_mass_tolerance_unit" value="Da"/> | |
23410 <param name="preprocessed_db_path" value=""/> | |
23411 <param name="preprocessed_db_pred_rt_path" value=""/> | |
23412 <param name="preprocessed_db_pred_dt_path" value=""/> | |
23413 <param name="max_peptides_per_run" value="100000"/> | |
23414 <param name="missed_cleavages" value="1"/> | |
23415 <param name="taxonomy" value=""/> | |
23416 <param name="store_peptide_sequences" value="false"/> | |
23417 <section name="rt_settings"> | |
23418 <param name="min_rt" value="960.0"/> | |
23419 <param name="max_rt" value="3840.0"/> | |
23420 <param name="rt_step_size" value="30.0"/> | |
23421 <param name="gauss_mean" value="-1.0"/> | |
23422 <param name="gauss_sigma" value="3.0"/> | |
23423 </section> | |
23424 </section> | |
23425 </section> | |
23426 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,sim_results_FLAG"/> | |
23427 <output name="ctd_out" ftype="xml"> | |
23428 <assert_contents> | |
23429 <is_valid_xml/> | |
23430 </assert_contents> | |
23431 </output> | |
23432 </test> | |
23433 <test expect_num_outputs="2"> | |
23434 <conditional name="adv_opts_cond"> | |
23435 <param name="adv_opts_selector" value="advanced"/> | |
23436 <param name="solver" value="GLPK"/> | |
23437 <param name="force" value="false"/> | |
23438 <param name="test" value="true"/> | |
23439 </conditional> | |
23440 <param name="in" value="PrecursorIonSelector_features.featureXML"/> | |
23441 <output name="out" file="PrecursorIonSelector_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
23442 <param name="ids" value="PrecursorIonSelector_ids.idXML"/> | |
23443 <param name="num_precursors" value="1"/> | |
23444 <param name="load_preprocessing" value="false"/> | |
23445 <param name="store_preprocessing" value="false"/> | |
23446 <param name="simulation" value="false"/> | |
23447 <param name="db_path" value="PrecursorIonSelector_db.fasta"/> | |
23448 <param name="fixed_modifications" value=""/> | |
23449 <section name="algorithm"> | |
23450 <param name="type" value="IPS"/> | |
23451 <param name="max_iteration" value="10"/> | |
23452 <param name="rt_bin_capacity" value="10"/> | |
23453 <param name="step_size" value="1"/> | |
23454 <param name="peptide_min_prob" value="0.2"/> | |
23455 <param name="sequential_spectrum_order" value="false"/> | |
23456 <section name="MIPFormulation"> | |
23457 <section name="thresholds"> | |
23458 <param name="min_protein_probability" value="0.2"/> | |
23459 <param name="min_protein_id_probability" value="0.95"/> | |
23460 <param name="min_pt_weight" value="0.5"/> | |
23461 <param name="min_mz" value="500.0"/> | |
23462 <param name="max_mz" value="5000.0"/> | |
23463 <param name="min_pred_pep_prob" value="0.5"/> | |
23464 <param name="min_rt_weight" value="0.5"/> | |
23465 <param name="use_peptide_rule" value="true"/> | |
23466 <param name="min_peptide_ids" value="2"/> | |
23467 <param name="min_peptide_probability" value="0.95"/> | |
23468 </section> | |
23469 <section name="combined_ilp"> | |
23470 <param name="k1" value="0.2"/> | |
23471 <param name="k2" value="0.2"/> | |
23472 <param name="k3" value="0.4"/> | |
23473 <param name="scale_matching_probs" value="true"/> | |
23474 </section> | |
23475 <section name="feature_based"> | |
23476 <param name="no_intensity_normalization" value="false"/> | |
23477 <param name="max_number_precursors_per_feature" value="1"/> | |
23478 </section> | |
23479 </section> | |
23480 <section name="Preprocessing"> | |
23481 <param name="precursor_mass_tolerance" value="0.9"/> | |
23482 <param name="precursor_mass_tolerance_unit" value="Da"/> | |
23483 <param name="preprocessed_db_path" value=""/> | |
23484 <param name="preprocessed_db_pred_rt_path" value=""/> | |
23485 <param name="preprocessed_db_pred_dt_path" value=""/> | |
23486 <param name="max_peptides_per_run" value="100000"/> | |
23487 <param name="missed_cleavages" value="1"/> | |
23488 <param name="taxonomy" value=""/> | |
23489 <param name="store_peptide_sequences" value="false"/> | |
23490 <section name="rt_settings"> | |
23491 <param name="min_rt" value="960.0"/> | |
23492 <param name="max_rt" value="3840.0"/> | |
23493 <param name="rt_step_size" value="30.0"/> | |
23494 <param name="gauss_mean" value="-1.0"/> | |
23495 <param name="gauss_sigma" value="3.0"/> | |
23496 </section> | |
23497 </section> | |
23498 </section> | |
23499 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
23500 <output name="ctd_out" ftype="xml"> | |
23501 <assert_contents> | |
23502 <is_valid_xml/> | |
23503 </assert_contents> | |
23504 </output> | |
23505 </test> | |
23506 </xml> | |
23507 <xml name="autotest_PrecursorMassCorrector"> | |
23508 <test expect_num_outputs="2"> | |
23509 <conditional name="adv_opts_cond"> | |
23510 <param name="adv_opts_selector" value="advanced"/> | |
23511 <param name="max_charge" value="3"/> | |
23512 <param name="intensity_threshold" value="-1.0"/> | |
23513 <param name="force" value="false"/> | |
23514 <param name="test" value="true"/> | |
23515 </conditional> | |
23516 <param name="in" value="PrecursorMassCorrector_1_input.mzML"/> | |
23517 <output name="out" file="PrecursorMassCorrector_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
23518 <param name="precursor_mass_tolerance" value="1.5"/> | |
23519 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23520 <output name="ctd_out" ftype="xml"> | |
23521 <assert_contents> | |
23522 <is_valid_xml/> | |
23523 </assert_contents> | |
23524 </output> | |
23525 </test> | |
23526 </xml> | |
23527 <xml name="autotest_ProteinInference"> | |
23528 <test expect_num_outputs="2"> | |
23529 <conditional name="adv_opts_cond"> | |
23530 <param name="adv_opts_selector" value="advanced"/> | |
23531 <param name="force" value="false"/> | |
23532 <param name="test" value="true"/> | |
23533 </conditional> | |
23534 <param name="in" value="ProteinInference_1_input.idXML"/> | |
23535 <output name="out" file="ProteinInference_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
23536 <param name="merge_runs" value="all"/> | |
23537 <param name="annotate_indist_groups" value="true"/> | |
23538 <section name="Merging"> | |
23539 <param name="annotate_origin" value="false"/> | |
23540 </section> | |
23541 <section name="Algorithm"> | |
23542 <param name="min_peptides_per_protein" value="1"/> | |
23543 <param name="score_aggregation_method" value="maximum"/> | |
23544 <param name="treat_charge_variants_separately" value="true"/> | |
23545 <param name="treat_modification_variants_separately" value="true"/> | |
23546 <param name="use_shared_peptides" value="false"/> | |
23547 <param name="skip_count_annotation" value="false"/> | |
23548 </section> | |
23549 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
23550 <output name="ctd_out" ftype="xml"> | |
23551 <assert_contents> | |
23552 <is_valid_xml/> | |
23553 </assert_contents> | |
23554 </output> | |
23555 </test> | |
23556 </xml> | |
23557 <xml name="autotest_ProteinQuantifier"> | |
23558 <test expect_num_outputs="3"> | |
23559 <conditional name="adv_opts_cond"> | |
23560 <param name="adv_opts_selector" value="advanced"/> | |
23561 <param name="force" value="false"/> | |
23562 <param name="test" value="true"/> | |
23563 </conditional> | |
23564 <param name="in" value="ProteinQuantifier_input.featureXML"/> | |
23565 <output name="out" file="ProteinQuantifier_1_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23566 <output name="peptide_out" file="ProteinQuantifier_1_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23567 <param name="top" value="3"/> | |
23568 <param name="average" value="median"/> | |
23569 <param name="include_all" value="false"/> | |
23570 <param name="best_charge_and_fraction" value="false"/> | |
23571 <param name="greedy_group_resolution" value="false"/> | |
23572 <param name="ratios" value="false"/> | |
23573 <param name="ratiosSILAC" value="false"/> | |
23574 <section name="consensus"> | |
23575 <param name="normalize" value="false"/> | |
23576 <param name="fix_peptides" value="false"/> | |
23577 </section> | |
23578 <section name="format"> | |
23579 <param name="separator" value=""/> | |
23580 <param name="quoting" value="double"/> | |
23581 <param name="replacement" value="_"/> | |
23582 </section> | |
23583 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,peptide_out_FLAG"/> | |
23584 <output name="ctd_out" ftype="xml"> | |
23585 <assert_contents> | |
23586 <is_valid_xml/> | |
23587 </assert_contents> | |
23588 </output> | |
23589 </test> | |
23590 <test expect_num_outputs="3"> | |
23591 <conditional name="adv_opts_cond"> | |
23592 <param name="adv_opts_selector" value="advanced"/> | |
23593 <param name="force" value="false"/> | |
23594 <param name="test" value="true"/> | |
23595 </conditional> | |
23596 <param name="in" value="ProteinQuantifier_input.featureXML"/> | |
23597 <output name="out" file="ProteinQuantifier_2_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23598 <output name="peptide_out" file="ProteinQuantifier_2_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23599 <param name="top" value="2"/> | |
23600 <param name="average" value="sum"/> | |
23601 <param name="include_all" value="true"/> | |
23602 <param name="best_charge_and_fraction" value="true"/> | |
23603 <param name="greedy_group_resolution" value="false"/> | |
23604 <param name="ratios" value="false"/> | |
23605 <param name="ratiosSILAC" value="false"/> | |
23606 <section name="consensus"> | |
23607 <param name="normalize" value="false"/> | |
23608 <param name="fix_peptides" value="false"/> | |
23609 </section> | |
23610 <section name="format"> | |
23611 <param name="separator" value=""/> | |
23612 <param name="quoting" value="double"/> | |
23613 <param name="replacement" value="_"/> | |
23614 </section> | |
23615 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,peptide_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="3"> | |
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="ProteinQuantifier_3_input.featureXML"/> | |
23629 <output name="out" file="ProteinQuantifier_3_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23630 <output name="peptide_out" file="ProteinQuantifier_3_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23631 <param name="top" value="2"/> | |
23632 <param name="average" value="mean"/> | |
23633 <param name="include_all" value="true"/> | |
23634 <param name="best_charge_and_fraction" value="false"/> | |
23635 <param name="greedy_group_resolution" value="false"/> | |
23636 <param name="ratios" value="false"/> | |
23637 <param name="ratiosSILAC" value="false"/> | |
23638 <section name="consensus"> | |
23639 <param name="normalize" value="false"/> | |
23640 <param name="fix_peptides" value="false"/> | |
23641 </section> | |
23642 <section name="format"> | |
23643 <param name="separator" value=""/> | |
23644 <param name="quoting" value="double"/> | |
23645 <param name="replacement" value="_"/> | |
23646 </section> | |
23647 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,peptide_out_FLAG"/> | |
23648 <output name="ctd_out" ftype="xml"> | |
23649 <assert_contents> | |
23650 <is_valid_xml/> | |
23651 </assert_contents> | |
23652 </output> | |
23653 </test> | |
23654 <test expect_num_outputs="2"> | |
23655 <conditional name="adv_opts_cond"> | |
23656 <param name="adv_opts_selector" value="advanced"/> | |
23657 <param name="force" value="false"/> | |
23658 <param name="test" value="true"/> | |
23659 </conditional> | |
23660 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
23661 <output name="out" file="ProteinQuantifier_4_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23662 <param name="top" value="0"/> | |
23663 <param name="average" value="sum"/> | |
23664 <param name="include_all" value="false"/> | |
23665 <param name="best_charge_and_fraction" value="false"/> | |
23666 <param name="greedy_group_resolution" value="false"/> | |
23667 <param name="ratios" value="false"/> | |
23668 <param name="ratiosSILAC" value="false"/> | |
23669 <section name="consensus"> | |
23670 <param name="normalize" value="false"/> | |
23671 <param name="fix_peptides" value="false"/> | |
23672 </section> | |
23673 <section name="format"> | |
23674 <param name="separator" value=""/> | |
23675 <param name="quoting" value="double"/> | |
23676 <param name="replacement" value="_"/> | |
23677 </section> | |
23678 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
23679 <output name="ctd_out" ftype="xml"> | |
23680 <assert_contents> | |
23681 <is_valid_xml/> | |
23682 </assert_contents> | |
23683 </output> | |
23684 </test> | |
23685 <test expect_num_outputs="2"> | |
23686 <conditional name="adv_opts_cond"> | |
23687 <param name="adv_opts_selector" value="advanced"/> | |
23688 <param name="force" value="false"/> | |
23689 <param name="test" value="true"/> | |
23690 </conditional> | |
23691 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
23692 <output name="out" file="ProteinQuantifier_5_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23693 <param name="top" value="3"/> | |
23694 <param name="average" value="sum"/> | |
23695 <param name="include_all" value="false"/> | |
23696 <param name="best_charge_and_fraction" value="false"/> | |
23697 <param name="greedy_group_resolution" value="false"/> | |
23698 <param name="ratios" value="false"/> | |
23699 <param name="ratiosSILAC" value="false"/> | |
23700 <section name="consensus"> | |
23701 <param name="normalize" value="false"/> | |
23702 <param name="fix_peptides" value="false"/> | |
23703 </section> | |
23704 <section name="format"> | |
23705 <param name="separator" value=""/> | |
23706 <param name="quoting" value="double"/> | |
23707 <param name="replacement" value="_"/> | |
23708 </section> | |
23709 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
23710 <output name="ctd_out" ftype="xml"> | |
23711 <assert_contents> | |
23712 <is_valid_xml/> | |
23713 </assert_contents> | |
23714 </output> | |
23715 </test> | |
23716 <test expect_num_outputs="2"> | |
23717 <conditional name="adv_opts_cond"> | |
23718 <param name="adv_opts_selector" value="advanced"/> | |
23719 <param name="force" value="false"/> | |
23720 <param name="test" value="true"/> | |
23721 </conditional> | |
23722 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
23723 <output name="out" file="ProteinQuantifier_6_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23724 <param name="top" value="3"/> | |
23725 <param name="average" value="sum"/> | |
23726 <param name="include_all" value="true"/> | |
23727 <param name="best_charge_and_fraction" value="false"/> | |
23728 <param name="greedy_group_resolution" value="false"/> | |
23729 <param name="ratios" value="false"/> | |
23730 <param name="ratiosSILAC" value="false"/> | |
23731 <section name="consensus"> | |
23732 <param name="normalize" value="false"/> | |
23733 <param name="fix_peptides" value="false"/> | |
23734 </section> | |
23735 <section name="format"> | |
23736 <param name="separator" value=""/> | |
23737 <param name="quoting" value="double"/> | |
23738 <param name="replacement" value="_"/> | |
23739 </section> | |
23740 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
23741 <output name="ctd_out" ftype="xml"> | |
23742 <assert_contents> | |
23743 <is_valid_xml/> | |
23744 </assert_contents> | |
23745 </output> | |
23746 </test> | |
23747 <test expect_num_outputs="2"> | |
23748 <conditional name="adv_opts_cond"> | |
23749 <param name="adv_opts_selector" value="advanced"/> | |
23750 <param name="force" value="false"/> | |
23751 <param name="test" value="true"/> | |
23752 </conditional> | |
23753 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
23754 <output name="out" file="ProteinQuantifier_7_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23755 <param name="top" value="0"/> | |
23756 <param name="average" value="sum"/> | |
23757 <param name="include_all" value="false"/> | |
23758 <param name="best_charge_and_fraction" value="false"/> | |
23759 <param name="greedy_group_resolution" value="false"/> | |
23760 <param name="ratios" value="false"/> | |
23761 <param name="ratiosSILAC" value="false"/> | |
23762 <section name="consensus"> | |
23763 <param name="normalize" value="false"/> | |
23764 <param name="fix_peptides" value="true"/> | |
23765 </section> | |
23766 <section name="format"> | |
23767 <param name="separator" value=""/> | |
23768 <param name="quoting" value="double"/> | |
23769 <param name="replacement" value="_"/> | |
23770 </section> | |
23771 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
23772 <output name="ctd_out" ftype="xml"> | |
23773 <assert_contents> | |
23774 <is_valid_xml/> | |
23775 </assert_contents> | |
23776 </output> | |
23777 </test> | |
23778 <test expect_num_outputs="2"> | |
23779 <conditional name="adv_opts_cond"> | |
23780 <param name="adv_opts_selector" value="advanced"/> | |
23781 <param name="force" value="false"/> | |
23782 <param name="test" value="true"/> | |
23783 </conditional> | |
23784 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
23785 <output name="out" file="ProteinQuantifier_8_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23786 <param name="top" value="3"/> | |
23787 <param name="average" value="sum"/> | |
23788 <param name="include_all" value="false"/> | |
23789 <param name="best_charge_and_fraction" value="false"/> | |
23790 <param name="greedy_group_resolution" value="false"/> | |
23791 <param name="ratios" value="false"/> | |
23792 <param name="ratiosSILAC" value="false"/> | |
23793 <section name="consensus"> | |
23794 <param name="normalize" value="false"/> | |
23795 <param name="fix_peptides" value="true"/> | |
23796 </section> | |
23797 <section name="format"> | |
23798 <param name="separator" value=""/> | |
23799 <param name="quoting" value="double"/> | |
23800 <param name="replacement" value="_"/> | |
23801 </section> | |
23802 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
23803 <output name="ctd_out" ftype="xml"> | |
23804 <assert_contents> | |
23805 <is_valid_xml/> | |
23806 </assert_contents> | |
23807 </output> | |
23808 </test> | |
23809 <test expect_num_outputs="2"> | |
23810 <conditional name="adv_opts_cond"> | |
23811 <param name="adv_opts_selector" value="advanced"/> | |
23812 <param name="force" value="false"/> | |
23813 <param name="test" value="true"/> | |
23814 </conditional> | |
23815 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
23816 <output name="out" file="ProteinQuantifier_9_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23817 <param name="top" value="3"/> | |
23818 <param name="average" value="sum"/> | |
23819 <param name="include_all" value="true"/> | |
23820 <param name="best_charge_and_fraction" value="false"/> | |
23821 <param name="greedy_group_resolution" value="false"/> | |
23822 <param name="ratios" value="false"/> | |
23823 <param name="ratiosSILAC" value="false"/> | |
23824 <section name="consensus"> | |
23825 <param name="normalize" value="false"/> | |
23826 <param name="fix_peptides" value="true"/> | |
23827 </section> | |
23828 <section name="format"> | |
23829 <param name="separator" value=""/> | |
23830 <param name="quoting" value="double"/> | |
23831 <param name="replacement" value="_"/> | |
23832 </section> | |
23833 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
23834 <output name="ctd_out" ftype="xml"> | |
23835 <assert_contents> | |
23836 <is_valid_xml/> | |
23837 </assert_contents> | |
23838 </output> | |
23839 </test> | |
23840 <test expect_num_outputs="2"> | |
23841 <conditional name="adv_opts_cond"> | |
23842 <param name="adv_opts_selector" value="advanced"/> | |
23843 <param name="force" value="false"/> | |
23844 <param name="test" value="true"/> | |
23845 </conditional> | |
23846 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
23847 <output name="out" file="ProteinQuantifier_12_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23848 <param name="top" value="3"/> | |
23849 <param name="average" value="sum"/> | |
23850 <param name="include_all" value="true"/> | |
23851 <param name="best_charge_and_fraction" value="false"/> | |
23852 <param name="greedy_group_resolution" value="false"/> | |
23853 <param name="ratios" value="true"/> | |
23854 <param name="ratiosSILAC" value="false"/> | |
23855 <section name="consensus"> | |
23856 <param name="normalize" value="false"/> | |
23857 <param name="fix_peptides" value="true"/> | |
23858 </section> | |
23859 <section name="format"> | |
23860 <param name="separator" value=""/> | |
23861 <param name="quoting" value="double"/> | |
23862 <param name="replacement" value="_"/> | |
23863 </section> | |
23864 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
23865 <output name="ctd_out" ftype="xml"> | |
23866 <assert_contents> | |
23867 <is_valid_xml/> | |
23868 </assert_contents> | |
23869 </output> | |
23870 </test> | |
23871 <test expect_num_outputs="2"> | |
23872 <conditional name="adv_opts_cond"> | |
23873 <param name="adv_opts_selector" value="advanced"/> | |
23874 <param name="force" value="false"/> | |
23875 <param name="test" value="true"/> | |
23876 </conditional> | |
23877 <param name="in" value="ProteinQuantifier_input.consensusXML"/> | |
23878 <output name="out" file="ProteinQuantifier_13_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23879 <param name="top" value="3"/> | |
23880 <param name="average" value="sum"/> | |
23881 <param name="include_all" value="true"/> | |
23882 <param name="best_charge_and_fraction" value="false"/> | |
23883 <param name="greedy_group_resolution" value="false"/> | |
23884 <param name="ratios" value="false"/> | |
23885 <param name="ratiosSILAC" value="true"/> | |
23886 <section name="consensus"> | |
23887 <param name="normalize" value="false"/> | |
23888 <param name="fix_peptides" value="true"/> | |
23889 </section> | |
23890 <section name="format"> | |
23891 <param name="separator" value=""/> | |
23892 <param name="quoting" value="double"/> | |
23893 <param name="replacement" value="_"/> | |
23894 </section> | |
23895 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
23896 <output name="ctd_out" ftype="xml"> | |
23897 <assert_contents> | |
23898 <is_valid_xml/> | |
23899 </assert_contents> | |
23900 </output> | |
23901 </test> | |
23902 <test expect_num_outputs="3"> | |
23903 <conditional name="adv_opts_cond"> | |
23904 <param name="adv_opts_selector" value="advanced"/> | |
23905 <param name="force" value="false"/> | |
23906 <param name="test" value="true"/> | |
23907 </conditional> | |
23908 <param name="in" value="ProteinQuantifier_input.idXML"/> | |
23909 <output name="out" file="ProteinQuantifier_14_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23910 <output name="peptide_out" file="ProteinQuantifier_14_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23911 <param name="top" value="0"/> | |
23912 <param name="average" value="sum"/> | |
23913 <param name="include_all" value="false"/> | |
23914 <param name="best_charge_and_fraction" value="false"/> | |
23915 <param name="greedy_group_resolution" value="false"/> | |
23916 <param name="ratios" value="false"/> | |
23917 <param name="ratiosSILAC" value="false"/> | |
23918 <section name="consensus"> | |
23919 <param name="normalize" value="false"/> | |
23920 <param name="fix_peptides" value="false"/> | |
23921 </section> | |
23922 <section name="format"> | |
23923 <param name="separator" value=""/> | |
23924 <param name="quoting" value="double"/> | |
23925 <param name="replacement" value="_"/> | |
23926 </section> | |
23927 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,peptide_out_FLAG"/> | |
23928 <output name="ctd_out" ftype="xml"> | |
23929 <assert_contents> | |
23930 <is_valid_xml/> | |
23931 </assert_contents> | |
23932 </output> | |
23933 </test> | |
23934 </xml> | |
23935 <xml name="autotest_ProteinResolver"> | |
23936 <test expect_num_outputs="4"> | |
23937 <conditional name="adv_opts_cond"> | |
23938 <param name="adv_opts_selector" value="advanced"/> | |
23939 <param name="force" value="false"/> | |
23940 <param name="test" value="true"/> | |
23941 </conditional> | |
23942 <param name="fasta" value="ProteinResolver_1_input.fasta"/> | |
23943 <param name="in" value="ProteinResolver_1_input.consensusXML"/> | |
23944 <param name="in_path" value=""/> | |
23945 <output name="protein_groups" file="ProteinResolver_1_output1.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23946 <output name="peptide_table" file="ProteinResolver_1_output2.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23947 <output name="protein_table" file="ProteinResolver_1_output3.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
23948 <section name="resolver"> | |
23949 <param name="missed_cleavages" value="2"/> | |
23950 <param name="min_length" value="6"/> | |
23951 <param name="enzyme" value="Trypsin"/> | |
23952 </section> | |
23953 <section name="designer"> | |
23954 <param name="experiment" value="ExperimentalSetting"/> | |
23955 <param name="file" value="File"/> | |
23956 <param name="separator" value="tab"/> | |
23957 </section> | |
23958 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,protein_groups_FLAG,peptide_table_FLAG,protein_table_FLAG"/> | |
23959 <output name="ctd_out" ftype="xml"> | |
23960 <assert_contents> | |
23961 <is_valid_xml/> | |
23962 </assert_contents> | |
23963 </output> | |
23964 </test> | |
23965 </xml> | |
23966 <xml name="autotest_PSMFeatureExtractor"> | |
23967 </xml> | |
23968 <xml name="autotest_PTModel"> | |
23969 <test expect_num_outputs="2"> | |
23970 <conditional name="adv_opts_cond"> | |
23971 <param name="adv_opts_selector" value="advanced"/> | |
23972 <param name="force" value="false"/> | |
23973 <param name="test" value="true"/> | |
23974 </conditional> | |
23975 <param name="in_positive" value="PTModel_1_input_positive.idXML"/> | |
23976 <param name="in_negative" value="PTModel_1_input_negative.idXML"/> | |
23977 <output name="out" file="PTModel_1_output.tmp" compare="sim_size" delta="5700" ftype="txt"/> | |
23978 <param name="c" value="0.5"/> | |
23979 <param name="svm_type" value="C_SVC"/> | |
23980 <param name="nu" value="0.5"/> | |
23981 <param name="kernel_type" value="OLIGO"/> | |
23982 <param name="degree" value="1"/> | |
23983 <param name="border_length" value="22"/> | |
23984 <param name="k_mer_length" value="1"/> | |
23985 <param name="sigma" value="5.0"/> | |
23986 <param name="max_positive_count" value="1000"/> | |
23987 <param name="max_negative_count" value="1000"/> | |
23988 <param name="redundant" value="false"/> | |
23989 <param name="additive_cv" value="false"/> | |
23990 <section name="cv"> | |
23991 <param name="skip_cv" value="true"/> | |
23992 <param name="number_of_runs" value="10"/> | |
23993 <param name="number_of_partitions" value="10"/> | |
23994 <param name="degree_start" value="1"/> | |
23995 <param name="degree_step_size" value="2"/> | |
23996 <param name="degree_stop" value="4"/> | |
23997 <param name="c_start" value="1.0"/> | |
23998 <param name="c_step_size" value="100.0"/> | |
23999 <param name="c_stop" value="1000.0"/> | |
24000 <param name="nu_start" value="0.1"/> | |
24001 <param name="nu_step_size" value="1.3"/> | |
24002 <param name="nu_stop" value="0.9"/> | |
24003 <param name="sigma_start" value="1.0"/> | |
24004 <param name="sigma_step_size" value="1.3"/> | |
24005 <param name="sigma_stop" value="15.0"/> | |
24006 </section> | |
24007 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24008 <output name="ctd_out" ftype="xml"> | |
24009 <assert_contents> | |
24010 <is_valid_xml/> | |
24011 </assert_contents> | |
24012 </output> | |
24013 </test> | |
24014 </xml> | |
24015 <xml name="autotest_QCCalculator"> | |
24016 </xml> | |
24017 <xml name="autotest_QCEmbedder"> | |
24018 </xml> | |
24019 <xml name="autotest_QCExporter"> | |
24020 </xml> | |
24021 <xml name="autotest_QCExtractor"> | |
24022 </xml> | |
24023 <xml name="autotest_QCImporter"> | |
24024 </xml> | |
24025 <xml name="autotest_QCMerger"> | |
24026 </xml> | |
24027 <xml name="autotest_QCShrinker"> | |
24028 </xml> | |
24029 <xml name="autotest_QualityControl"> | |
24030 <test expect_num_outputs="3"> | |
24031 <conditional name="adv_opts_cond"> | |
24032 <param name="adv_opts_selector" value="advanced"/> | |
24033 <param name="force" value="false"/> | |
24034 <param name="test" value="true"/> | |
24035 </conditional> | |
24036 <param name="in_cm" value="QualityControl_1_in.consensusXML"/> | |
24037 <param name="in_raw" value="QualityControl_1_in1.mzML.gz,QualityControl_1_in2.mzML.gz,QualityControl_1_in3.mzML.gz"/> | |
24038 <param name="in_postFDR" value="QualityControl_1_in1.featureXML,QualityControl_1_in2.featureXML,QualityControl_1_in3.featureXML"/> | |
24039 <output name="out" file="QualityControl_1_out.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
24040 <output name="out_cm" file="QualityControl_1_out.consensusXML" compare="sim_size" delta="5700" ftype="consensusxml"/> | |
24041 <param name="in_contaminants" value="QualityControl_1.fasta"/> | |
24042 <param name="in_trafo" value="QualityControl_1_in1.trafoXML,QualityControl_1_in2.trafoXML,QualityControl_1_in3.trafoXML"/> | |
24043 <section name="FragmentMassError"> | |
24044 <param name="unit" value="auto"/> | |
24045 <param name="tolerance" value="20.0"/> | |
24046 </section> | |
24047 <section name="MS2_id_rate"> | |
24048 <param name="force_no_fdr" value="false"/> | |
24049 </section> | |
24050 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_cm_FLAG"/> | |
24051 <output name="ctd_out" ftype="xml"> | |
24052 <assert_contents> | |
24053 <is_valid_xml/> | |
24054 </assert_contents> | |
24055 </output> | |
24056 </test> | |
24057 </xml> | |
24058 <xml name="autotest_RNADigestor"> | |
24059 </xml> | |
24060 <xml name="autotest_RNAMassCalculator"> | |
24061 <test expect_num_outputs="2"> | |
24062 <conditional name="adv_opts_cond"> | |
24063 <param name="adv_opts_selector" value="advanced"/> | |
24064 <param name="force" value="false"/> | |
24065 <param name="test" value="true"/> | |
24066 </conditional> | |
24067 <param name="in_seq" value=""AUCGGC""/> | |
24068 <output name="out" file="RNAMassCalculator_1.txt" compare="sim_size" delta="5700" ftype="txt"/> | |
24069 <param name="charge" value="-1 -2"/> | |
24070 <param name="format" value="list"/> | |
24071 <param name="average_mass" value="false"/> | |
24072 <param name="fragment_type" value="full"/> | |
24073 <param name="separator" value=""/> | |
24074 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
24075 <output name="ctd_out" ftype="xml"> | |
24076 <assert_contents> | |
24077 <is_valid_xml/> | |
24078 </assert_contents> | |
24079 </output> | |
24080 </test> | |
24081 </xml> | |
24082 <xml name="autotest_RNPxlSearch"> | |
24083 <test expect_num_outputs="2"> | |
24084 <conditional name="adv_opts_cond"> | |
24085 <param name="adv_opts_selector" value="advanced"/> | |
24086 <param name="force" value="false"/> | |
24087 <param name="test" value="true"/> | |
24088 </conditional> | |
24089 <param name="in" value="RNPxlSearch_1_input.mzML"/> | |
24090 <param name="database" value="RNPxlSearch_1_input.fasta"/> | |
24091 <output name="out" file="RNPxlSearch_1_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
24092 <section name="precursor"> | |
24093 <param name="mass_tolerance" value="20.0"/> | |
24094 <param name="mass_tolerance_unit" value="ppm"/> | |
24095 <param name="min_charge" value="2"/> | |
24096 <param name="max_charge" value="5"/> | |
24097 <param name="isotopes" value="0 1"/> | |
24098 </section> | |
24099 <section name="fragment"> | |
24100 <param name="mass_tolerance" value="20.0"/> | |
24101 <param name="mass_tolerance_unit" value="ppm"/> | |
24102 </section> | |
24103 <section name="modifications"> | |
24104 <param name="fixed" value=""/> | |
24105 <param name="variable" value="Oxidation (M)"/> | |
24106 <param name="variable_max_per_peptide" value="2"/> | |
24107 </section> | |
24108 <section name="peptide"> | |
24109 <param name="min_size" value="6"/> | |
24110 <param name="max_size" value="1000000"/> | |
24111 <param name="missed_cleavages" value="1"/> | |
24112 <param name="enzyme" value="Trypsin"/> | |
24113 </section> | |
24114 <section name="report"> | |
24115 <param name="top_hits" value="1"/> | |
24116 </section> | |
24117 <section name="RNPxl"> | |
24118 <param name="length" value="2"/> | |
24119 <param name="sequence" value="GUA"/> | |
24120 <param name="target_nucleotides" value=""A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P""/> | |
24121 <param name="nt_groups" value=""/> | |
24122 <param name="mapping" value=""A->A" "C->C" "G->G" "U->U""/> | |
24123 <param name="can_cross_link" value="U"/> | |
24124 <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""/> | |
24125 <param name="modifications" value=""U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3""/> | |
24126 <param name="scoring" value="fast"/> | |
24127 <param name="decoys" value="false"/> | |
24128 <param name="CysteineAdduct" value="false"/> | |
24129 <param name="filter_fractional_mass" value="false"/> | |
24130 <param name="carbon_labeled_fragments" value="false"/> | |
24131 <param name="only_xl" value="false"/> | |
24132 <param name="filter_small_peptide_mass" value="600.0"/> | |
24133 <param name="marker_ions_tolerance" value="0.05"/> | |
24134 </section> | |
24135 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24136 <output name="ctd_out" ftype="xml"> | |
24137 <assert_contents> | |
24138 <is_valid_xml/> | |
24139 </assert_contents> | |
24140 </output> | |
24141 </test> | |
24142 <test expect_num_outputs="2"> | |
24143 <conditional name="adv_opts_cond"> | |
24144 <param name="adv_opts_selector" value="advanced"/> | |
24145 <param name="force" value="false"/> | |
24146 <param name="test" value="true"/> | |
24147 </conditional> | |
24148 <param name="in" value="RNPxlSearch_1_input.mzML"/> | |
24149 <param name="database" value="RNPxlSearch_1_input.fasta"/> | |
24150 <output name="out" file="RNPxlSearch_2_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
24151 <section name="precursor"> | |
24152 <param name="mass_tolerance" value="20.0"/> | |
24153 <param name="mass_tolerance_unit" value="ppm"/> | |
24154 <param name="min_charge" value="2"/> | |
24155 <param name="max_charge" value="5"/> | |
24156 <param name="isotopes" value="0 1"/> | |
24157 </section> | |
24158 <section name="fragment"> | |
24159 <param name="mass_tolerance" value="20.0"/> | |
24160 <param name="mass_tolerance_unit" value="ppm"/> | |
24161 </section> | |
24162 <section name="modifications"> | |
24163 <param name="fixed" value=""/> | |
24164 <param name="variable" value="Oxidation (M)"/> | |
24165 <param name="variable_max_per_peptide" value="2"/> | |
24166 </section> | |
24167 <section name="peptide"> | |
24168 <param name="min_size" value="6"/> | |
24169 <param name="max_size" value="1000000"/> | |
24170 <param name="missed_cleavages" value="1"/> | |
24171 <param name="enzyme" value="Trypsin"/> | |
24172 </section> | |
24173 <section name="report"> | |
24174 <param name="top_hits" value="1"/> | |
24175 </section> | |
24176 <section name="RNPxl"> | |
24177 <param name="length" value="2"/> | |
24178 <param name="sequence" value="GUA"/> | |
24179 <param name="target_nucleotides" value=""A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P""/> | |
24180 <param name="nt_groups" value=""/> | |
24181 <param name="mapping" value=""A->A" "C->C" "G->G" "U->U""/> | |
24182 <param name="can_cross_link" value="U"/> | |
24183 <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""/> | |
24184 <param name="modifications" value=""U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3""/> | |
24185 <param name="scoring" value="fast"/> | |
24186 <param name="decoys" value="true"/> | |
24187 <param name="CysteineAdduct" value="false"/> | |
24188 <param name="filter_fractional_mass" value="false"/> | |
24189 <param name="carbon_labeled_fragments" value="false"/> | |
24190 <param name="only_xl" value="false"/> | |
24191 <param name="filter_small_peptide_mass" value="600.0"/> | |
24192 <param name="marker_ions_tolerance" value="0.05"/> | |
24193 </section> | |
24194 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24195 <output name="ctd_out" ftype="xml"> | |
24196 <assert_contents> | |
24197 <is_valid_xml/> | |
24198 </assert_contents> | |
24199 </output> | |
24200 </test> | |
24201 <test expect_num_outputs="3"> | |
24202 <conditional name="adv_opts_cond"> | |
24203 <param name="adv_opts_selector" value="advanced"/> | |
24204 <param name="force" value="false"/> | |
24205 <param name="test" value="true"/> | |
24206 </conditional> | |
24207 <param name="in" value="RNPxlSearch_1_input.mzML"/> | |
24208 <param name="database" value="RNPxlSearch_1_input.fasta"/> | |
24209 <output name="out" file="RNPxlSearch_3_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
24210 <output name="out_tsv" file="RNPxlSearch_3_output2.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
24211 <section name="precursor"> | |
24212 <param name="mass_tolerance" value="10.0"/> | |
24213 <param name="mass_tolerance_unit" value="ppm"/> | |
24214 <param name="min_charge" value="2"/> | |
24215 <param name="max_charge" value="5"/> | |
24216 <param name="isotopes" value="0 1"/> | |
24217 </section> | |
24218 <section name="fragment"> | |
24219 <param name="mass_tolerance" value="10.0"/> | |
24220 <param name="mass_tolerance_unit" value="ppm"/> | |
24221 </section> | |
24222 <section name="modifications"> | |
24223 <param name="fixed" value=""/> | |
24224 <param name="variable" value=""/> | |
24225 <param name="variable_max_per_peptide" value="2"/> | |
24226 </section> | |
24227 <section name="peptide"> | |
24228 <param name="min_size" value="6"/> | |
24229 <param name="max_size" value="1000000"/> | |
24230 <param name="missed_cleavages" value="1"/> | |
24231 <param name="enzyme" value="Trypsin"/> | |
24232 </section> | |
24233 <section name="report"> | |
24234 <param name="top_hits" value="3"/> | |
24235 </section> | |
24236 <section name="RNPxl"> | |
24237 <param name="length" value="2"/> | |
24238 <param name="sequence" value=""/> | |
24239 <param name="target_nucleotides" value=""A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P""/> | |
24240 <param name="nt_groups" value=""/> | |
24241 <param name="mapping" value=""A->A" "C->C" "G->G" "U->U""/> | |
24242 <param name="can_cross_link" value="U"/> | |
24243 <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""/> | |
24244 <param name="modifications" value=""U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3""/> | |
24245 <param name="scoring" value="fast"/> | |
24246 <param name="decoys" value="false"/> | |
24247 <param name="CysteineAdduct" value="false"/> | |
24248 <param name="filter_fractional_mass" value="false"/> | |
24249 <param name="carbon_labeled_fragments" value="false"/> | |
24250 <param name="only_xl" value="false"/> | |
24251 <param name="filter_small_peptide_mass" value="600.0"/> | |
24252 <param name="marker_ions_tolerance" value="0.05"/> | |
24253 </section> | |
24254 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_tsv_FLAG"/> | |
24255 <output name="ctd_out" ftype="xml"> | |
24256 <assert_contents> | |
24257 <is_valid_xml/> | |
24258 </assert_contents> | |
24259 </output> | |
24260 </test> | |
24261 <test expect_num_outputs="3"> | |
24262 <conditional name="adv_opts_cond"> | |
24263 <param name="adv_opts_selector" value="advanced"/> | |
24264 <param name="force" value="false"/> | |
24265 <param name="test" value="true"/> | |
24266 </conditional> | |
24267 <param name="in" value="RNPxlSearch_1_input.mzML"/> | |
24268 <param name="database" value="RNPxlSearch_1_input.fasta"/> | |
24269 <output name="out" file="RNPxlSearch_4_output.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
24270 <output name="out_tsv" file="RNPxlSearch_4_output2.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
24271 <section name="precursor"> | |
24272 <param name="mass_tolerance" value="10.0"/> | |
24273 <param name="mass_tolerance_unit" value="ppm"/> | |
24274 <param name="min_charge" value="2"/> | |
24275 <param name="max_charge" value="5"/> | |
24276 <param name="isotopes" value="0 1"/> | |
24277 </section> | |
24278 <section name="fragment"> | |
24279 <param name="mass_tolerance" value="10.0"/> | |
24280 <param name="mass_tolerance_unit" value="ppm"/> | |
24281 </section> | |
24282 <section name="modifications"> | |
24283 <param name="fixed" value=""/> | |
24284 <param name="variable" value=""/> | |
24285 <param name="variable_max_per_peptide" value="2"/> | |
24286 </section> | |
24287 <section name="peptide"> | |
24288 <param name="min_size" value="6"/> | |
24289 <param name="max_size" value="1000000"/> | |
24290 <param name="missed_cleavages" value="1"/> | |
24291 <param name="enzyme" value="Trypsin"/> | |
24292 </section> | |
24293 <section name="report"> | |
24294 <param name="top_hits" value="2"/> | |
24295 </section> | |
24296 <section name="RNPxl"> | |
24297 <param name="length" value="2"/> | |
24298 <param name="sequence" value=""/> | |
24299 <param name="target_nucleotides" value=""A=C10H14N5O7P" "C=C9H14N3O8P" "G=C10H14N5O8P" "U=C9H13N2O9P""/> | |
24300 <param name="nt_groups" value=""/> | |
24301 <param name="mapping" value=""A->A" "C->C" "G->G" "U->U""/> | |
24302 <param name="can_cross_link" value="U"/> | |
24303 <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""/> | |
24304 <param name="modifications" value=""U:" "U:-H2O" "U:-H2O-HPO3" "U:-HPO3""/> | |
24305 <param name="scoring" value="fast"/> | |
24306 <param name="decoys" value="true"/> | |
24307 <param name="CysteineAdduct" value="false"/> | |
24308 <param name="filter_fractional_mass" value="false"/> | |
24309 <param name="carbon_labeled_fragments" value="false"/> | |
24310 <param name="only_xl" value="false"/> | |
24311 <param name="filter_small_peptide_mass" value="600.0"/> | |
24312 <param name="marker_ions_tolerance" value="0.05"/> | |
24313 </section> | |
24314 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_tsv_FLAG"/> | |
24315 <output name="ctd_out" ftype="xml"> | |
24316 <assert_contents> | |
24317 <is_valid_xml/> | |
24318 </assert_contents> | |
24319 </output> | |
24320 </test> | |
24321 </xml> | |
24322 <xml name="autotest_RNPxlXICFilter"> | |
24323 </xml> | |
24324 <xml name="autotest_RTEvaluation"> | |
24325 </xml> | |
24326 <xml name="autotest_RTModel"> | |
24327 <test expect_num_outputs="2"> | |
24328 <conditional name="adv_opts_cond"> | |
24329 <param name="adv_opts_selector" value="advanced"/> | |
24330 <param name="force" value="false"/> | |
24331 <param name="test" value="true"/> | |
24332 </conditional> | |
24333 <param name="in" value="RTModel_1_input.idXML"/> | |
24334 <output name="out" file="RTModel_1_output.model" compare="sim_size" delta="5700" ftype="txt"/> | |
24335 <param name="svm_type" value="NU_SVR"/> | |
24336 <param name="nu" value="0.5"/> | |
24337 <param name="p" value="0.1"/> | |
24338 <param name="c" value="0.1"/> | |
24339 <param name="kernel_type" value="POLY"/> | |
24340 <param name="degree" value="1"/> | |
24341 <param name="border_length" value="22"/> | |
24342 <param name="max_std" value="10.0"/> | |
24343 <param name="k_mer_length" value="1"/> | |
24344 <param name="sigma" value="5.0"/> | |
24345 <param name="total_gradient_time" value="3000.0"/> | |
24346 <param name="first_dim_rt" value="false"/> | |
24347 <param name="additive_cv" value="false"/> | |
24348 <section name="cv"> | |
24349 <param name="skip_cv" value="true"/> | |
24350 <param name="number_of_runs" value="10"/> | |
24351 <param name="number_of_partitions" value="10"/> | |
24352 <param name="degree_start" value="1"/> | |
24353 <param name="degree_step_size" value="2"/> | |
24354 <param name="degree_stop" value="4"/> | |
24355 <param name="p_start" value="1.0"/> | |
24356 <param name="p_step_size" value="10.0"/> | |
24357 <param name="p_stop" value="1000.0"/> | |
24358 <param name="c_start" value="1.0"/> | |
24359 <param name="c_step_size" value="10.0"/> | |
24360 <param name="c_stop" value="1000.0"/> | |
24361 <param name="nu_start" value="0.3"/> | |
24362 <param name="nu_step_size" value="1.2"/> | |
24363 <param name="nu_stop" value="0.7"/> | |
24364 <param name="sigma_start" value="1.0"/> | |
24365 <param name="sigma_step_size" value="1.3"/> | |
24366 <param name="sigma_stop" value="15.0"/> | |
24367 </section> | |
24368 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24369 <output name="ctd_out" ftype="xml"> | |
24370 <assert_contents> | |
24371 <is_valid_xml/> | |
24372 </assert_contents> | |
24373 </output> | |
24374 </test> | |
24375 <test expect_num_outputs="2"> | |
24376 <conditional name="adv_opts_cond"> | |
24377 <param name="adv_opts_selector" value="advanced"/> | |
24378 <param name="force" value="false"/> | |
24379 <param name="test" value="true"/> | |
24380 </conditional> | |
24381 <param name="in_positive" value="RTModel_2_input_positive.idXML"/> | |
24382 <param name="in_negative" value="RTModel_2_input_negative.idXML"/> | |
24383 <output name="out" file="RTModel_2_output.tmp" compare="sim_size" delta="5700" ftype="txt"/> | |
24384 <param name="svm_type" value="NU_SVR"/> | |
24385 <param name="nu" value="0.5"/> | |
24386 <param name="p" value="0.1"/> | |
24387 <param name="c" value="0.5"/> | |
24388 <param name="kernel_type" value="OLIGO"/> | |
24389 <param name="degree" value="1"/> | |
24390 <param name="border_length" value="22"/> | |
24391 <param name="max_std" value="10.0"/> | |
24392 <param name="k_mer_length" value="1"/> | |
24393 <param name="sigma" value="5.0"/> | |
24394 <param name="total_gradient_time" value="1.0"/> | |
24395 <param name="first_dim_rt" value="false"/> | |
24396 <param name="additive_cv" value="false"/> | |
24397 <section name="cv"> | |
24398 <param name="skip_cv" value="true"/> | |
24399 <param name="number_of_runs" value="10"/> | |
24400 <param name="number_of_partitions" value="10"/> | |
24401 <param name="degree_start" value="1"/> | |
24402 <param name="degree_step_size" value="2"/> | |
24403 <param name="degree_stop" value="4"/> | |
24404 <param name="p_start" value="1.0"/> | |
24405 <param name="p_step_size" value="10.0"/> | |
24406 <param name="p_stop" value="1000.0"/> | |
24407 <param name="c_start" value="1.0"/> | |
24408 <param name="c_step_size" value="10.0"/> | |
24409 <param name="c_stop" value="1000.0"/> | |
24410 <param name="nu_start" value="0.3"/> | |
24411 <param name="nu_step_size" value="1.2"/> | |
24412 <param name="nu_stop" value="0.7"/> | |
24413 <param name="sigma_start" value="1.0"/> | |
24414 <param name="sigma_step_size" value="1.3"/> | |
24415 <param name="sigma_stop" value="15.0"/> | |
24416 </section> | |
24417 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24418 <output name="ctd_out" ftype="xml"> | |
24419 <assert_contents> | |
24420 <is_valid_xml/> | |
24421 </assert_contents> | |
24422 </output> | |
24423 </test> | |
24424 <test expect_num_outputs="2"> | |
24425 <conditional name="adv_opts_cond"> | |
24426 <param name="adv_opts_selector" value="advanced"/> | |
24427 <param name="force" value="false"/> | |
24428 <param name="test" value="true"/> | |
24429 </conditional> | |
24430 <param name="in" value="RTModel_3_input.idXML"/> | |
24431 <output name="out" file="RTModel_3_output.tmp" compare="sim_size" delta="5700" ftype="txt"/> | |
24432 <param name="svm_type" value="NU_SVR"/> | |
24433 <param name="nu" value="0.5"/> | |
24434 <param name="p" value="0.1"/> | |
24435 <param name="c" value="0.001953125"/> | |
24436 <param name="kernel_type" value="OLIGO"/> | |
24437 <param name="degree" value="1"/> | |
24438 <param name="border_length" value="22"/> | |
24439 <param name="max_std" value="10.0"/> | |
24440 <param name="k_mer_length" value="1"/> | |
24441 <param name="sigma" value="1.0"/> | |
24442 <param name="total_gradient_time" value="1.0"/> | |
24443 <param name="first_dim_rt" value="false"/> | |
24444 <param name="additive_cv" value="false"/> | |
24445 <section name="cv"> | |
24446 <param name="skip_cv" value="false"/> | |
24447 <param name="number_of_runs" value="1"/> | |
24448 <param name="number_of_partitions" value="5"/> | |
24449 <param name="degree_start" value="1"/> | |
24450 <param name="degree_step_size" value="2"/> | |
24451 <param name="degree_stop" value="4"/> | |
24452 <param name="p_start" value="1.0"/> | |
24453 <param name="p_step_size" value="10.0"/> | |
24454 <param name="p_stop" value="1000.0"/> | |
24455 <param name="c_start" value="0.001953125"/> | |
24456 <param name="c_step_size" value="2.0"/> | |
24457 <param name="c_stop" value="0.001953125"/> | |
24458 <param name="nu_start" value="0.4"/> | |
24459 <param name="nu_step_size" value="1.2"/> | |
24460 <param name="nu_stop" value="0.4"/> | |
24461 <param name="sigma_start" value="5.0"/> | |
24462 <param name="sigma_step_size" value="1.221055"/> | |
24463 <param name="sigma_stop" value="5.0"/> | |
24464 </section> | |
24465 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24466 <output name="ctd_out" ftype="xml"> | |
24467 <assert_contents> | |
24468 <is_valid_xml/> | |
24469 </assert_contents> | |
24470 </output> | |
24471 </test> | |
24472 <test expect_num_outputs="2"> | |
24473 <conditional name="adv_opts_cond"> | |
24474 <param name="adv_opts_selector" value="advanced"/> | |
24475 <param name="force" value="false"/> | |
24476 <param name="test" value="true"/> | |
24477 </conditional> | |
24478 <param name="in" value="RTModel_4_input.txt" ftype="txt"/> | |
24479 <output name="out" file="RTModel_4_output.tmp" compare="sim_size" delta="5700" ftype="txt"/> | |
24480 <param name="svm_type" value="NU_SVR"/> | |
24481 <param name="nu" value="0.5"/> | |
24482 <param name="p" value="0.1"/> | |
24483 <param name="c" value="0.001953125"/> | |
24484 <param name="kernel_type" value="OLIGO"/> | |
24485 <param name="degree" value="1"/> | |
24486 <param name="border_length" value="22"/> | |
24487 <param name="max_std" value="10.0"/> | |
24488 <param name="k_mer_length" value="1"/> | |
24489 <param name="sigma" value="1.0"/> | |
24490 <param name="total_gradient_time" value="1.0"/> | |
24491 <param name="first_dim_rt" value="false"/> | |
24492 <param name="additive_cv" value="false"/> | |
24493 <section name="cv"> | |
24494 <param name="skip_cv" value="false"/> | |
24495 <param name="number_of_runs" value="1"/> | |
24496 <param name="number_of_partitions" value="5"/> | |
24497 <param name="degree_start" value="1"/> | |
24498 <param name="degree_step_size" value="2"/> | |
24499 <param name="degree_stop" value="4"/> | |
24500 <param name="p_start" value="1.0"/> | |
24501 <param name="p_step_size" value="10.0"/> | |
24502 <param name="p_stop" value="1000.0"/> | |
24503 <param name="c_start" value="0.001953125"/> | |
24504 <param name="c_step_size" value="2.0"/> | |
24505 <param name="c_stop" value="0.001953125"/> | |
24506 <param name="nu_start" value="0.4"/> | |
24507 <param name="nu_step_size" value="1.2"/> | |
24508 <param name="nu_stop" value="0.4"/> | |
24509 <param name="sigma_start" value="5.0"/> | |
24510 <param name="sigma_step_size" value="1.221055"/> | |
24511 <param name="sigma_stop" value="5.0"/> | |
24512 </section> | |
24513 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24514 <output name="ctd_out" ftype="xml"> | |
24515 <assert_contents> | |
24516 <is_valid_xml/> | |
24517 </assert_contents> | |
24518 </output> | |
24519 </test> | |
24520 </xml> | |
24521 <xml name="autotest_SeedListGenerator"> | |
24522 <test expect_num_outputs="2"> | |
24523 <conditional name="adv_opts_cond"> | |
24524 <param name="adv_opts_selector" value="advanced"/> | |
24525 <param name="force" value="false"/> | |
24526 <param name="test" value="true"/> | |
24527 </conditional> | |
24528 <param name="in" value="PepXMLFile_test.mzML"/> | |
24529 <output name="out" file="SeedListGenerator_1_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
24530 <param name="use_peptide_mass" value="false"/> | |
24531 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24532 <output name="ctd_out" ftype="xml"> | |
24533 <assert_contents> | |
24534 <is_valid_xml/> | |
24535 </assert_contents> | |
24536 </output> | |
24537 </test> | |
24538 <test expect_num_outputs="2"> | |
24539 <conditional name="adv_opts_cond"> | |
24540 <param name="adv_opts_selector" value="advanced"/> | |
24541 <param name="force" value="false"/> | |
24542 <param name="test" value="true"/> | |
24543 </conditional> | |
24544 <param name="in" value="IDMapper_1_output.featureXML"/> | |
24545 <output name="out" file="SeedListGenerator_2_output.featureXML" compare="sim_size" delta="5700" ftype="featurexml"/> | |
24546 <param name="use_peptide_mass" value="false"/> | |
24547 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24548 <output name="ctd_out" ftype="xml"> | |
24549 <assert_contents> | |
24550 <is_valid_xml/> | |
24551 </assert_contents> | |
24552 </output> | |
24553 </test> | |
24554 </xml> | |
24555 <xml name="autotest_SemanticValidator"> | |
24556 </xml> | |
24557 <xml name="autotest_SequenceCoverageCalculator"> | |
24558 </xml> | |
24559 <xml name="autotest_SimpleSearchEngine"> | |
24560 <test expect_num_outputs="2"> | |
24561 <conditional name="adv_opts_cond"> | |
24562 <param name="adv_opts_selector" value="advanced"/> | |
24563 <param name="force" value="false"/> | |
24564 <param name="test" value="true"/> | |
24565 </conditional> | |
24566 <param name="in" value="SimpleSearchEngine_1.mzML"/> | |
24567 <param name="database" value="SimpleSearchEngine_1.fasta"/> | |
24568 <output name="out" file="SimpleSearchEngine_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
24569 <section name="Search"> | |
24570 <param name="enzyme" value="Trypsin"/> | |
24571 <section name="precursor"> | |
24572 <param name="mass_tolerance" value="5.0"/> | |
24573 <param name="mass_tolerance_unit" value="ppm"/> | |
24574 <param name="min_charge" value="2"/> | |
24575 <param name="max_charge" value="5"/> | |
24576 <param name="isotopes" value="0 1"/> | |
24577 </section> | |
24578 <section name="fragment"> | |
24579 <param name="mass_tolerance" value="0.3"/> | |
24580 <param name="mass_tolerance_unit" value="Da"/> | |
24581 </section> | |
24582 <section name="modifications"> | |
24583 <param name="fixed" value=""/> | |
24584 <param name="variable" value="Oxidation (M)"/> | |
24585 <param name="variable_max_per_peptide" value="2"/> | |
24586 </section> | |
24587 <section name="peptide"> | |
24588 <param name="min_size" value="7"/> | |
24589 <param name="max_size" value="40"/> | |
24590 <param name="missed_cleavages" value="1"/> | |
24591 <param name="motif" value=""/> | |
24592 </section> | |
24593 <section name="report"> | |
24594 <param name="top_hits" value="1"/> | |
24595 </section> | |
24596 </section> | |
24597 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24598 <output name="ctd_out" ftype="xml"> | |
24599 <assert_contents> | |
24600 <is_valid_xml/> | |
24601 </assert_contents> | |
24602 </output> | |
24603 </test> | |
24604 </xml> | |
24605 <xml name="autotest_SiriusAdapter"> | |
24606 <test expect_num_outputs="2"> | |
24607 <conditional name="adv_opts_cond"> | |
24608 <param name="adv_opts_selector" value="advanced"/> | |
24609 <param name="converter_mode" value="false"/> | |
24610 <param name="force" value="false"/> | |
24611 <param name="test" value="true"/> | |
24612 </conditional> | |
24613 <param name="in" value="SiriusAdapter_1_input.mzML"/> | |
24614 <output name="out_sirius" file="SiriusAdapter_1_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
24615 <param name="out_workspace_directory" value=""/> | |
24616 <section name="preprocessing"> | |
24617 <param name="filter_by_num_masstraces" value="1"/> | |
24618 <param name="precursor_mz_tolerance" value="0.005"/> | |
24619 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
24620 <param name="precursor_rt_tolerance" value="5"/> | |
24621 <param name="isotope_pattern_iterations" value="3"/> | |
24622 <param name="feature_only" value="false"/> | |
24623 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
24624 </section> | |
24625 <section name="sirius"> | |
24626 <param name="profile" value="qtof"/> | |
24627 <param name="candidates" value="5"/> | |
24628 <param name="database" value="all"/> | |
24629 <param name="noise" value="0"/> | |
24630 <param name="ppm_max" value="10"/> | |
24631 <param name="isotope" value="both"/> | |
24632 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
24633 <param name="compound_timeout" value="10"/> | |
24634 <param name="tree_timeout" value="0"/> | |
24635 <param name="top_n_hits" value="10"/> | |
24636 <param name="cores" value="1"/> | |
24637 <param name="auto_charge" value="true"/> | |
24638 <param name="ion_tree" value="false"/> | |
24639 <param name="no_recalibration" value="false"/> | |
24640 <param name="most_intense_ms2" value="false"/> | |
24641 </section> | |
24642 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG"/> | |
24643 <output name="ctd_out" ftype="xml"> | |
24644 <assert_contents> | |
24645 <is_valid_xml/> | |
24646 </assert_contents> | |
24647 </output> | |
24648 </test> | |
24649 <test expect_num_outputs="2"> | |
24650 <conditional name="adv_opts_cond"> | |
24651 <param name="adv_opts_selector" value="advanced"/> | |
24652 <param name="converter_mode" value="false"/> | |
24653 <param name="force" value="false"/> | |
24654 <param name="test" value="true"/> | |
24655 </conditional> | |
24656 <param name="in" value="SiriusAdapter_2_input.mzML"/> | |
24657 <param name="in_featureinfo" value="SiriusAdapter_2_input.featureXML"/> | |
24658 <output name="out_sirius" file="SiriusAdapter_2_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
24659 <param name="out_workspace_directory" value=""/> | |
24660 <section name="preprocessing"> | |
24661 <param name="filter_by_num_masstraces" value="3"/> | |
24662 <param name="precursor_mz_tolerance" value="0.005"/> | |
24663 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
24664 <param name="precursor_rt_tolerance" value="5"/> | |
24665 <param name="isotope_pattern_iterations" value="3"/> | |
24666 <param name="feature_only" value="true"/> | |
24667 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
24668 </section> | |
24669 <section name="sirius"> | |
24670 <param name="profile" value="qtof"/> | |
24671 <param name="candidates" value="5"/> | |
24672 <param name="database" value="all"/> | |
24673 <param name="noise" value="0"/> | |
24674 <param name="ppm_max" value="10"/> | |
24675 <param name="isotope" value="both"/> | |
24676 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
24677 <param name="compound_timeout" value="10"/> | |
24678 <param name="tree_timeout" value="0"/> | |
24679 <param name="top_n_hits" value="10"/> | |
24680 <param name="cores" value="1"/> | |
24681 <param name="auto_charge" value="true"/> | |
24682 <param name="ion_tree" value="false"/> | |
24683 <param name="no_recalibration" value="false"/> | |
24684 <param name="most_intense_ms2" value="false"/> | |
24685 </section> | |
24686 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG"/> | |
24687 <output name="ctd_out" ftype="xml"> | |
24688 <assert_contents> | |
24689 <is_valid_xml/> | |
24690 </assert_contents> | |
24691 </output> | |
24692 </test> | |
24693 <test expect_num_outputs="2"> | |
24694 <conditional name="adv_opts_cond"> | |
24695 <param name="adv_opts_selector" value="advanced"/> | |
24696 <param name="converter_mode" value="false"/> | |
24697 <param name="force" value="false"/> | |
24698 <param name="test" value="true"/> | |
24699 </conditional> | |
24700 <param name="in" value="SiriusAdapter_3_input.mzML"/> | |
24701 <param name="in_featureinfo" value="SiriusAdapter_3_input.featureXML"/> | |
24702 <output name="out_sirius" file="SiriusAdapter_3_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
24703 <param name="out_workspace_directory" value=""/> | |
24704 <section name="preprocessing"> | |
24705 <param name="filter_by_num_masstraces" value="3"/> | |
24706 <param name="precursor_mz_tolerance" value="0.005"/> | |
24707 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
24708 <param name="precursor_rt_tolerance" value="5"/> | |
24709 <param name="isotope_pattern_iterations" value="3"/> | |
24710 <param name="feature_only" value="false"/> | |
24711 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
24712 </section> | |
24713 <section name="sirius"> | |
24714 <param name="profile" value="qtof"/> | |
24715 <param name="candidates" value="5"/> | |
24716 <param name="database" value="all"/> | |
24717 <param name="noise" value="0"/> | |
24718 <param name="ppm_max" value="10"/> | |
24719 <param name="isotope" value="both"/> | |
24720 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
24721 <param name="compound_timeout" value="10"/> | |
24722 <param name="tree_timeout" value="0"/> | |
24723 <param name="top_n_hits" value="10"/> | |
24724 <param name="cores" value="1"/> | |
24725 <param name="auto_charge" value="true"/> | |
24726 <param name="ion_tree" value="false"/> | |
24727 <param name="no_recalibration" value="false"/> | |
24728 <param name="most_intense_ms2" value="false"/> | |
24729 </section> | |
24730 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG"/> | |
24731 <output name="ctd_out" ftype="xml"> | |
24732 <assert_contents> | |
24733 <is_valid_xml/> | |
24734 </assert_contents> | |
24735 </output> | |
24736 </test> | |
24737 <test expect_num_outputs="2"> | |
24738 <conditional name="adv_opts_cond"> | |
24739 <param name="adv_opts_selector" value="advanced"/> | |
24740 <param name="converter_mode" value="true"/> | |
24741 <param name="force" value="false"/> | |
24742 <param name="test" value="true"/> | |
24743 </conditional> | |
24744 <param name="in" value="SiriusAdapter_3_input.mzML"/> | |
24745 <param name="in_featureinfo" value="SiriusAdapter_3_input.featureXML"/> | |
24746 <output name="out_ms" file="SiriusAdapter_5_output.ms" compare="sim_size" delta="5700" ftype="sirius.ms"/> | |
24747 <param name="out_workspace_directory" value=""/> | |
24748 <section name="preprocessing"> | |
24749 <param name="filter_by_num_masstraces" value="1"/> | |
24750 <param name="precursor_mz_tolerance" value="0.005"/> | |
24751 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
24752 <param name="precursor_rt_tolerance" value="5"/> | |
24753 <param name="isotope_pattern_iterations" value="3"/> | |
24754 <param name="feature_only" value="false"/> | |
24755 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
24756 </section> | |
24757 <section name="sirius"> | |
24758 <param name="profile" value="qtof"/> | |
24759 <param name="candidates" value="5"/> | |
24760 <param name="database" value="all"/> | |
24761 <param name="noise" value="0"/> | |
24762 <param name="ppm_max" value="10"/> | |
24763 <param name="isotope" value="both"/> | |
24764 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
24765 <param name="compound_timeout" value="10"/> | |
24766 <param name="tree_timeout" value="0"/> | |
24767 <param name="top_n_hits" value="10"/> | |
24768 <param name="cores" value="1"/> | |
24769 <param name="auto_charge" value="false"/> | |
24770 <param name="ion_tree" value="false"/> | |
24771 <param name="no_recalibration" value="false"/> | |
24772 <param name="most_intense_ms2" value="false"/> | |
24773 </section> | |
24774 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_ms_FLAG"/> | |
24775 <output name="ctd_out" ftype="xml"> | |
24776 <assert_contents> | |
24777 <is_valid_xml/> | |
24778 </assert_contents> | |
24779 </output> | |
24780 </test> | |
24781 <test expect_num_outputs="2"> | |
24782 <conditional name="adv_opts_cond"> | |
24783 <param name="adv_opts_selector" value="advanced"/> | |
24784 <param name="converter_mode" value="true"/> | |
24785 <param name="force" value="false"/> | |
24786 <param name="test" value="true"/> | |
24787 </conditional> | |
24788 <param name="in" value="SiriusAdapter_4_input.mzML"/> | |
24789 <param name="in_featureinfo" value="SiriusAdapter_4_input.featureXML"/> | |
24790 <output name="out_ms" file="SiriusAdapter_6_output.ms" compare="sim_size" delta="5700" ftype="sirius.ms"/> | |
24791 <param name="out_workspace_directory" value=""/> | |
24792 <section name="preprocessing"> | |
24793 <param name="filter_by_num_masstraces" value="1"/> | |
24794 <param name="precursor_mz_tolerance" value="0.005"/> | |
24795 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
24796 <param name="precursor_rt_tolerance" value="5"/> | |
24797 <param name="isotope_pattern_iterations" value="3"/> | |
24798 <param name="feature_only" value="false"/> | |
24799 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
24800 </section> | |
24801 <section name="sirius"> | |
24802 <param name="profile" value="qtof"/> | |
24803 <param name="candidates" value="5"/> | |
24804 <param name="database" value="all"/> | |
24805 <param name="noise" value="0"/> | |
24806 <param name="ppm_max" value="10"/> | |
24807 <param name="isotope" value="both"/> | |
24808 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
24809 <param name="compound_timeout" value="10"/> | |
24810 <param name="tree_timeout" value="0"/> | |
24811 <param name="top_n_hits" value="10"/> | |
24812 <param name="cores" value="1"/> | |
24813 <param name="auto_charge" value="false"/> | |
24814 <param name="ion_tree" value="false"/> | |
24815 <param name="no_recalibration" value="false"/> | |
24816 <param name="most_intense_ms2" value="false"/> | |
24817 </section> | |
24818 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_ms_FLAG"/> | |
24819 <output name="ctd_out" ftype="xml"> | |
24820 <assert_contents> | |
24821 <is_valid_xml/> | |
24822 </assert_contents> | |
24823 </output> | |
24824 </test> | |
24825 <test expect_num_outputs="2"> | |
24826 <conditional name="adv_opts_cond"> | |
24827 <param name="adv_opts_selector" value="advanced"/> | |
24828 <param name="converter_mode" value="false"/> | |
24829 <param name="force" value="false"/> | |
24830 <param name="test" value="true"/> | |
24831 </conditional> | |
24832 <param name="in" value="SiriusAdapter_4_input.mzML"/> | |
24833 <param name="in_featureinfo" value="SiriusAdapter_4_input.featureXML"/> | |
24834 <output name="out_sirius" file="SiriusAdapter_7_output.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
24835 <param name="out_workspace_directory" value=""/> | |
24836 <section name="preprocessing"> | |
24837 <param name="filter_by_num_masstraces" value="1"/> | |
24838 <param name="precursor_mz_tolerance" value="0.005"/> | |
24839 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
24840 <param name="precursor_rt_tolerance" value="5"/> | |
24841 <param name="isotope_pattern_iterations" value="3"/> | |
24842 <param name="feature_only" value="true"/> | |
24843 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
24844 </section> | |
24845 <section name="sirius"> | |
24846 <param name="profile" value="qtof"/> | |
24847 <param name="candidates" value="5"/> | |
24848 <param name="database" value="all"/> | |
24849 <param name="noise" value="0"/> | |
24850 <param name="ppm_max" value="10"/> | |
24851 <param name="isotope" value="both"/> | |
24852 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
24853 <param name="compound_timeout" value="10"/> | |
24854 <param name="tree_timeout" value="0"/> | |
24855 <param name="top_n_hits" value="10"/> | |
24856 <param name="cores" value="1"/> | |
24857 <param name="auto_charge" value="false"/> | |
24858 <param name="ion_tree" value="false"/> | |
24859 <param name="no_recalibration" value="false"/> | |
24860 <param name="most_intense_ms2" value="false"/> | |
24861 </section> | |
24862 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG"/> | |
24863 <output name="ctd_out" ftype="xml"> | |
24864 <assert_contents> | |
24865 <is_valid_xml/> | |
24866 </assert_contents> | |
24867 </output> | |
24868 </test> | |
24869 <test expect_num_outputs="3"> | |
24870 <conditional name="adv_opts_cond"> | |
24871 <param name="adv_opts_selector" value="advanced"/> | |
24872 <param name="converter_mode" value="false"/> | |
24873 <param name="force" value="false"/> | |
24874 <param name="test" value="true"/> | |
24875 </conditional> | |
24876 <param name="in" value="SiriusAdapter_2_input.mzML"/> | |
24877 <param name="in_featureinfo" value="SiriusAdapter_2_input.featureXML"/> | |
24878 <output name="out_sirius" file="SiriusAdapter_4_output.tmp" compare="sim_size" delta="5700" ftype="mztab"/> | |
24879 <output name="out_fingerid" file="SiriusAdapter_4_foutput.mzTab" compare="sim_size" delta="5700" ftype="mztab"/> | |
24880 <param name="out_workspace_directory" value=""/> | |
24881 <section name="preprocessing"> | |
24882 <param name="filter_by_num_masstraces" value="1"/> | |
24883 <param name="precursor_mz_tolerance" value="0.005"/> | |
24884 <param name="precursor_mz_tolerance_unit" value="Da"/> | |
24885 <param name="precursor_rt_tolerance" value="5"/> | |
24886 <param name="isotope_pattern_iterations" value="3"/> | |
24887 <param name="feature_only" value="false"/> | |
24888 <param name="no_masstrace_info_isotope_pattern" value="false"/> | |
24889 </section> | |
24890 <section name="sirius"> | |
24891 <param name="profile" value="qtof"/> | |
24892 <param name="candidates" value="5"/> | |
24893 <param name="database" value="all"/> | |
24894 <param name="noise" value="0"/> | |
24895 <param name="ppm_max" value="10"/> | |
24896 <param name="isotope" value="both"/> | |
24897 <param name="elements" value="CHNOP[5]S[8]Cl[1]"/> | |
24898 <param name="compound_timeout" value="10"/> | |
24899 <param name="tree_timeout" value="0"/> | |
24900 <param name="top_n_hits" value="10"/> | |
24901 <param name="cores" value="1"/> | |
24902 <param name="auto_charge" value="true"/> | |
24903 <param name="ion_tree" value="false"/> | |
24904 <param name="no_recalibration" value="false"/> | |
24905 <param name="most_intense_ms2" value="false"/> | |
24906 </section> | |
24907 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_sirius_FLAG,out_fingerid_FLAG"/> | |
24908 <output name="ctd_out" ftype="xml"> | |
24909 <assert_contents> | |
24910 <is_valid_xml/> | |
24911 </assert_contents> | |
24912 </output> | |
24913 </test> | |
24914 </xml> | |
24915 <xml name="autotest_SpecLibCreator"> | |
24916 </xml> | |
24917 <xml name="autotest_SpecLibSearcher"> | |
24918 <test expect_num_outputs="2"> | |
24919 <conditional name="adv_opts_cond"> | |
24920 <param name="adv_opts_selector" value="advanced"/> | |
24921 <param name="force" value="false"/> | |
24922 <param name="test" value="true"/> | |
24923 </conditional> | |
24924 <param name="in" value="SpecLibSearcher_1.mzML"/> | |
24925 <param name="lib" value="SpecLibSearcher_1.MSP"/> | |
24926 <output_collection name="out" count="1"/> | |
24927 <param name="compare_function" value="ZhangSimilarityScore"/> | |
24928 <section name="precursor"> | |
24929 <param name="mass_tolerance" value="3.0"/> | |
24930 <param name="mass_tolerance_unit" value="Da"/> | |
24931 <param name="min_charge" value="1"/> | |
24932 <param name="max_charge" value="5"/> | |
24933 <param name="isotopes" value="0 1"/> | |
24934 </section> | |
24935 <section name="fragment"> | |
24936 <param name="mass_tolerance" value="10.0"/> | |
24937 </section> | |
24938 <section name="report"> | |
24939 <param name="top_hits" value="10"/> | |
24940 </section> | |
24941 <section name="filter"> | |
24942 <param name="remove_peaks_below_threshold" value="2.01"/> | |
24943 <param name="min_peaks" value="5"/> | |
24944 <param name="max_peaks" value="150"/> | |
24945 <param name="cut_peaks_below" value="1000"/> | |
24946 </section> | |
24947 <section name="modifications"> | |
24948 <param name="fixed" value=""/> | |
24949 <param name="variable" value=""/> | |
24950 <param name="variable_max_per_peptide" value="2"/> | |
24951 </section> | |
24952 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24953 <output name="ctd_out" ftype="xml"> | |
24954 <assert_contents> | |
24955 <is_valid_xml/> | |
24956 </assert_contents> | |
24957 </output> | |
24958 </test> | |
24959 </xml> | |
24960 <xml name="autotest_SpectraFilterBernNorm"> | |
24961 </xml> | |
24962 <xml name="autotest_SpectraFilterMarkerMower"> | |
24963 </xml> | |
24964 <xml name="autotest_SpectraFilterNLargest"> | |
24965 </xml> | |
24966 <xml name="autotest_SpectraFilterNormalizer"> | |
24967 </xml> | |
24968 <xml name="autotest_SpectraFilterParentPeakMower"> | |
24969 </xml> | |
24970 <xml name="autotest_SpectraFilterScaler"> | |
24971 </xml> | |
24972 <xml name="autotest_SpectraFilterSqrtMower"> | |
24973 <test expect_num_outputs="2"> | |
24974 <conditional name="adv_opts_cond"> | |
24975 <param name="adv_opts_selector" value="advanced"/> | |
24976 <param name="force" value="false"/> | |
24977 <param name="test" value="true"/> | |
24978 </conditional> | |
24979 <param name="in" value="SpectraFilterSqrtMower_1_input.mzML"/> | |
24980 <output name="out" file="SpectraFilterSqrtMower_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
24981 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
24982 <output name="ctd_out" ftype="xml"> | |
24983 <assert_contents> | |
24984 <is_valid_xml/> | |
24985 </assert_contents> | |
24986 </output> | |
24987 </test> | |
24988 </xml> | |
24989 <xml name="autotest_SpectraFilterThresholdMower"> | |
24990 </xml> | |
24991 <xml name="autotest_SpectraFilterWindowMower"> | |
24992 <test expect_num_outputs="2"> | |
24993 <conditional name="adv_opts_cond"> | |
24994 <param name="adv_opts_selector" value="advanced"/> | |
24995 <param name="force" value="false"/> | |
24996 <param name="test" value="true"/> | |
24997 </conditional> | |
24998 <param name="in" value="SpectraFilterWindowMower_1_input.mzML"/> | |
24999 <output name="out" file="SpectraFilterWindowMower_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
25000 <section name="algorithm"> | |
25001 <param name="windowsize" value="50.0"/> | |
25002 <param name="peakcount" value="2"/> | |
25003 <param name="movetype" value="slide"/> | |
25004 </section> | |
25005 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25006 <output name="ctd_out" ftype="xml"> | |
25007 <assert_contents> | |
25008 <is_valid_xml/> | |
25009 </assert_contents> | |
25010 </output> | |
25011 </test> | |
25012 <test expect_num_outputs="2"> | |
25013 <conditional name="adv_opts_cond"> | |
25014 <param name="adv_opts_selector" value="advanced"/> | |
25015 <param name="force" value="false"/> | |
25016 <param name="test" value="true"/> | |
25017 </conditional> | |
25018 <param name="in" value="SpectraFilterWindowMower_2_input.mzML"/> | |
25019 <output name="out" file="SpectraFilterWindowMower_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
25020 <section name="algorithm"> | |
25021 <param name="windowsize" value="20.0"/> | |
25022 <param name="peakcount" value="4"/> | |
25023 <param name="movetype" value="slide"/> | |
25024 </section> | |
25025 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25026 <output name="ctd_out" ftype="xml"> | |
25027 <assert_contents> | |
25028 <is_valid_xml/> | |
25029 </assert_contents> | |
25030 </output> | |
25031 </test> | |
25032 </xml> | |
25033 <xml name="autotest_SpectraMerger"> | |
25034 </xml> | |
25035 <xml name="autotest_SpectraSTSearchAdapter"/> | |
25036 <xml name="autotest_SvmTheoreticalSpectrumGeneratorTrainer"> | |
25037 </xml> | |
25038 <xml name="autotest_TargetedFileConverter"> | |
25039 <test expect_num_outputs="2"> | |
25040 <conditional name="adv_opts_cond"> | |
25041 <param name="adv_opts_selector" value="advanced"/> | |
25042 <param name="legacy_traml_id" value="false"/> | |
25043 <param name="force" value="false"/> | |
25044 <param name="test" value="true"/> | |
25045 </conditional> | |
25046 <param name="in" value="ConvertTSVToTraML_1_input.tsv" ftype="tabular"/> | |
25047 <output name="out" file="ConvertTSVToTraML_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25048 <param name="out_type" value="TraML"/> | |
25049 <section name="algorithm"> | |
25050 <param name="retentionTimeInterpretation" value="iRT"/> | |
25051 <param name="override_group_label_check" value="false"/> | |
25052 <param name="force_invalid_mods" value="false"/> | |
25053 </section> | |
25054 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25055 <output name="ctd_out" ftype="xml"> | |
25056 <assert_contents> | |
25057 <is_valid_xml/> | |
25058 </assert_contents> | |
25059 </output> | |
25060 </test> | |
25061 <test expect_num_outputs="2"> | |
25062 <conditional name="adv_opts_cond"> | |
25063 <param name="adv_opts_selector" value="advanced"/> | |
25064 <param name="legacy_traml_id" value="false"/> | |
25065 <param name="force" value="false"/> | |
25066 <param name="test" value="true"/> | |
25067 </conditional> | |
25068 <param name="in" value="ConvertTSVToTraML_2_input.tsv" ftype="tabular"/> | |
25069 <output name="out" file="ConvertTSVToTraML_2_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25070 <param name="out_type" value="TraML"/> | |
25071 <section name="algorithm"> | |
25072 <param name="retentionTimeInterpretation" value="minutes"/> | |
25073 <param name="override_group_label_check" value="false"/> | |
25074 <param name="force_invalid_mods" value="false"/> | |
25075 </section> | |
25076 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25077 <output name="ctd_out" ftype="xml"> | |
25078 <assert_contents> | |
25079 <is_valid_xml/> | |
25080 </assert_contents> | |
25081 </output> | |
25082 </test> | |
25083 <test expect_num_outputs="2"> | |
25084 <conditional name="adv_opts_cond"> | |
25085 <param name="adv_opts_selector" value="advanced"/> | |
25086 <param name="legacy_traml_id" value="false"/> | |
25087 <param name="force" value="false"/> | |
25088 <param name="test" value="true"/> | |
25089 </conditional> | |
25090 <param name="in" value="ConvertTSVToTraML_2_input.tsv" ftype="tabular"/> | |
25091 <output name="out" file="ConvertTSVToTraML_3_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25092 <param name="out_type" value="TraML"/> | |
25093 <section name="algorithm"> | |
25094 <param name="retentionTimeInterpretation" value="seconds"/> | |
25095 <param name="override_group_label_check" value="false"/> | |
25096 <param name="force_invalid_mods" value="false"/> | |
25097 </section> | |
25098 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25099 <output name="ctd_out" ftype="xml"> | |
25100 <assert_contents> | |
25101 <is_valid_xml/> | |
25102 </assert_contents> | |
25103 </output> | |
25104 </test> | |
25105 <test expect_num_outputs="2"> | |
25106 <conditional name="adv_opts_cond"> | |
25107 <param name="adv_opts_selector" value="advanced"/> | |
25108 <param name="legacy_traml_id" value="false"/> | |
25109 <param name="force" value="false"/> | |
25110 <param name="test" value="true"/> | |
25111 </conditional> | |
25112 <param name="in" value="ConvertTSVToTraML_4_input.mrm" ftype="mrm"/> | |
25113 <output name="out" file="ConvertTSVToTraML_4_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25114 <param name="out_type" value="TraML"/> | |
25115 <section name="algorithm"> | |
25116 <param name="retentionTimeInterpretation" value="iRT"/> | |
25117 <param name="override_group_label_check" value="false"/> | |
25118 <param name="force_invalid_mods" value="false"/> | |
25119 </section> | |
25120 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25121 <output name="ctd_out" ftype="xml"> | |
25122 <assert_contents> | |
25123 <is_valid_xml/> | |
25124 </assert_contents> | |
25125 </output> | |
25126 </test> | |
25127 <test expect_num_outputs="2"> | |
25128 <conditional name="adv_opts_cond"> | |
25129 <param name="adv_opts_selector" value="advanced"/> | |
25130 <param name="legacy_traml_id" value="false"/> | |
25131 <param name="force" value="false"/> | |
25132 <param name="test" value="true"/> | |
25133 </conditional> | |
25134 <param name="in" value="ConvertTSVToTraML_5_input.tsv" ftype="tabular"/> | |
25135 <output name="out" file="ConvertTSVToTraML_5_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25136 <param name="out_type" value="TraML"/> | |
25137 <section name="algorithm"> | |
25138 <param name="retentionTimeInterpretation" value="iRT"/> | |
25139 <param name="override_group_label_check" value="false"/> | |
25140 <param name="force_invalid_mods" value="false"/> | |
25141 </section> | |
25142 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25143 <output name="ctd_out" ftype="xml"> | |
25144 <assert_contents> | |
25145 <is_valid_xml/> | |
25146 </assert_contents> | |
25147 </output> | |
25148 </test> | |
25149 <test expect_num_outputs="2"> | |
25150 <conditional name="adv_opts_cond"> | |
25151 <param name="adv_opts_selector" value="advanced"/> | |
25152 <param name="legacy_traml_id" value="false"/> | |
25153 <param name="force" value="false"/> | |
25154 <param name="test" value="true"/> | |
25155 </conditional> | |
25156 <param name="in" value="ConvertTSVToTraML_6_input.tsv" ftype="tabular"/> | |
25157 <output name="out" file="ConvertTSVToTraML_6_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25158 <param name="out_type" value="TraML"/> | |
25159 <section name="algorithm"> | |
25160 <param name="retentionTimeInterpretation" value="iRT"/> | |
25161 <param name="override_group_label_check" value="false"/> | |
25162 <param name="force_invalid_mods" value="false"/> | |
25163 </section> | |
25164 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25165 <output name="ctd_out" ftype="xml"> | |
25166 <assert_contents> | |
25167 <is_valid_xml/> | |
25168 </assert_contents> | |
25169 </output> | |
25170 </test> | |
25171 <test expect_num_outputs="2"> | |
25172 <conditional name="adv_opts_cond"> | |
25173 <param name="adv_opts_selector" value="advanced"/> | |
25174 <param name="legacy_traml_id" value="false"/> | |
25175 <param name="force" value="false"/> | |
25176 <param name="test" value="true"/> | |
25177 </conditional> | |
25178 <param name="in" value="ConvertTSVToTraML_7_input_Skyline.tsv" ftype="tabular"/> | |
25179 <output name="out" file="ConvertTSVToTraML_7_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25180 <param name="out_type" value="TraML"/> | |
25181 <section name="algorithm"> | |
25182 <param name="retentionTimeInterpretation" value="iRT"/> | |
25183 <param name="override_group_label_check" value="false"/> | |
25184 <param name="force_invalid_mods" value="false"/> | |
25185 </section> | |
25186 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25187 <output name="ctd_out" ftype="xml"> | |
25188 <assert_contents> | |
25189 <is_valid_xml/> | |
25190 </assert_contents> | |
25191 </output> | |
25192 </test> | |
25193 <test expect_num_outputs="2"> | |
25194 <conditional name="adv_opts_cond"> | |
25195 <param name="adv_opts_selector" value="advanced"/> | |
25196 <param name="legacy_traml_id" value="false"/> | |
25197 <param name="force" value="false"/> | |
25198 <param name="test" value="true"/> | |
25199 </conditional> | |
25200 <param name="in" value="TargetedFileConverter_1_output.pqp.tmp"/> | |
25201 <output name="out" file="TargetedFileConverter_1_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25202 <param name="out_type" value="TraML"/> | |
25203 <section name="algorithm"> | |
25204 <param name="retentionTimeInterpretation" value="iRT"/> | |
25205 <param name="override_group_label_check" value="false"/> | |
25206 <param name="force_invalid_mods" value="false"/> | |
25207 </section> | |
25208 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25209 <output name="ctd_out" ftype="xml"> | |
25210 <assert_contents> | |
25211 <is_valid_xml/> | |
25212 </assert_contents> | |
25213 </output> | |
25214 </test> | |
25215 <test expect_num_outputs="2"> | |
25216 <conditional name="adv_opts_cond"> | |
25217 <param name="adv_opts_selector" value="advanced"/> | |
25218 <param name="legacy_traml_id" value="true"/> | |
25219 <param name="force" value="false"/> | |
25220 <param name="test" value="true"/> | |
25221 </conditional> | |
25222 <param name="in" value="TargetedFileConverter_1_output.pqp.tmp"/> | |
25223 <output name="out" file="TargetedFileConverter_2_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25224 <param name="out_type" value="TraML"/> | |
25225 <section name="algorithm"> | |
25226 <param name="retentionTimeInterpretation" value="iRT"/> | |
25227 <param name="override_group_label_check" value="false"/> | |
25228 <param name="force_invalid_mods" value="false"/> | |
25229 </section> | |
25230 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25231 <output name="ctd_out" ftype="xml"> | |
25232 <assert_contents> | |
25233 <is_valid_xml/> | |
25234 </assert_contents> | |
25235 </output> | |
25236 </test> | |
25237 <test expect_num_outputs="2"> | |
25238 <conditional name="adv_opts_cond"> | |
25239 <param name="adv_opts_selector" value="advanced"/> | |
25240 <param name="legacy_traml_id" value="false"/> | |
25241 <param name="force" value="false"/> | |
25242 <param name="test" value="true"/> | |
25243 </conditional> | |
25244 <param name="in" value="TargetedFileConverter_3_output.pqp.tmp"/> | |
25245 <output name="out" file="TargetedFileConverter_3_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25246 <param name="out_type" value="TraML"/> | |
25247 <section name="algorithm"> | |
25248 <param name="retentionTimeInterpretation" value="iRT"/> | |
25249 <param name="override_group_label_check" value="false"/> | |
25250 <param name="force_invalid_mods" value="false"/> | |
25251 </section> | |
25252 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25253 <output name="ctd_out" ftype="xml"> | |
25254 <assert_contents> | |
25255 <is_valid_xml/> | |
25256 </assert_contents> | |
25257 </output> | |
25258 </test> | |
25259 <test expect_num_outputs="2"> | |
25260 <conditional name="adv_opts_cond"> | |
25261 <param name="adv_opts_selector" value="advanced"/> | |
25262 <param name="legacy_traml_id" value="true"/> | |
25263 <param name="force" value="false"/> | |
25264 <param name="test" value="true"/> | |
25265 </conditional> | |
25266 <param name="in" value="TargetedFileConverter_3_output.pqp.tmp"/> | |
25267 <output name="out" file="TargetedFileConverter_4_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25268 <param name="out_type" value="TraML"/> | |
25269 <section name="algorithm"> | |
25270 <param name="retentionTimeInterpretation" value="iRT"/> | |
25271 <param name="override_group_label_check" value="false"/> | |
25272 <param name="force_invalid_mods" value="false"/> | |
25273 </section> | |
25274 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25275 <output name="ctd_out" ftype="xml"> | |
25276 <assert_contents> | |
25277 <is_valid_xml/> | |
25278 </assert_contents> | |
25279 </output> | |
25280 </test> | |
25281 <test expect_num_outputs="2"> | |
25282 <conditional name="adv_opts_cond"> | |
25283 <param name="adv_opts_selector" value="advanced"/> | |
25284 <param name="legacy_traml_id" value="false"/> | |
25285 <param name="force" value="false"/> | |
25286 <param name="test" value="true"/> | |
25287 </conditional> | |
25288 <param name="in" value="TargetedFileConverter_10_output.TraML.tmp"/> | |
25289 <output name="out" file="TargetedFileConverter_10_output.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
25290 <param name="out_type" value="tsv"/> | |
25291 <section name="algorithm"> | |
25292 <param name="retentionTimeInterpretation" value="iRT"/> | |
25293 <param name="override_group_label_check" value="false"/> | |
25294 <param name="force_invalid_mods" value="false"/> | |
25295 </section> | |
25296 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25297 <output name="ctd_out" ftype="xml"> | |
25298 <assert_contents> | |
25299 <is_valid_xml/> | |
25300 </assert_contents> | |
25301 </output> | |
25302 </test> | |
25303 <test expect_num_outputs="2"> | |
25304 <conditional name="adv_opts_cond"> | |
25305 <param name="adv_opts_selector" value="advanced"/> | |
25306 <param name="legacy_traml_id" value="false"/> | |
25307 <param name="force" value="false"/> | |
25308 <param name="test" value="true"/> | |
25309 </conditional> | |
25310 <param name="in" value="TargetedFileConverter_11_output.pqp.tmp"/> | |
25311 <output name="out" file="TargetedFileConverter_11_input.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25312 <param name="out_type" value="TraML"/> | |
25313 <section name="algorithm"> | |
25314 <param name="retentionTimeInterpretation" value="iRT"/> | |
25315 <param name="override_group_label_check" value="false"/> | |
25316 <param name="force_invalid_mods" value="false"/> | |
25317 </section> | |
25318 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25319 <output name="ctd_out" ftype="xml"> | |
25320 <assert_contents> | |
25321 <is_valid_xml/> | |
25322 </assert_contents> | |
25323 </output> | |
25324 </test> | |
25325 <test expect_num_outputs="2"> | |
25326 <conditional name="adv_opts_cond"> | |
25327 <param name="adv_opts_selector" value="advanced"/> | |
25328 <param name="legacy_traml_id" value="false"/> | |
25329 <param name="force" value="false"/> | |
25330 <param name="test" value="true"/> | |
25331 </conditional> | |
25332 <param name="in" value="TargetedFileConverter_8_output.TraML.tmp"/> | |
25333 <output name="out" file="TargetedFileConverter_8_input.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
25334 <param name="out_type" value="tsv"/> | |
25335 <section name="algorithm"> | |
25336 <param name="retentionTimeInterpretation" value="iRT"/> | |
25337 <param name="override_group_label_check" value="true"/> | |
25338 <param name="force_invalid_mods" value="false"/> | |
25339 </section> | |
25340 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25341 <output name="ctd_out" ftype="xml"> | |
25342 <assert_contents> | |
25343 <is_valid_xml/> | |
25344 </assert_contents> | |
25345 </output> | |
25346 </test> | |
25347 <test expect_num_outputs="2"> | |
25348 <conditional name="adv_opts_cond"> | |
25349 <param name="adv_opts_selector" value="advanced"/> | |
25350 <param name="legacy_traml_id" value="false"/> | |
25351 <param name="force" value="false"/> | |
25352 <param name="test" value="true"/> | |
25353 </conditional> | |
25354 <param name="in" value="TargetedFileConverter_9_output.pqp.tmp"/> | |
25355 <output name="out" file="TargetedFileConverter_9_input.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25356 <param name="out_type" value="TraML"/> | |
25357 <section name="algorithm"> | |
25358 <param name="retentionTimeInterpretation" value="iRT"/> | |
25359 <param name="override_group_label_check" value="true"/> | |
25360 <param name="force_invalid_mods" value="false"/> | |
25361 </section> | |
25362 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25363 <output name="ctd_out" ftype="xml"> | |
25364 <assert_contents> | |
25365 <is_valid_xml/> | |
25366 </assert_contents> | |
25367 </output> | |
25368 </test> | |
25369 <test expect_num_outputs="2"> | |
25370 <conditional name="adv_opts_cond"> | |
25371 <param name="adv_opts_selector" value="advanced"/> | |
25372 <param name="legacy_traml_id" value="false"/> | |
25373 <param name="force" value="false"/> | |
25374 <param name="test" value="true"/> | |
25375 </conditional> | |
25376 <param name="in" value="ConvertTSVToTraML_output.TraML"/> | |
25377 <output name="out" file="ConvertTraMLToTSV_output.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
25378 <param name="out_type" value="tsv"/> | |
25379 <section name="algorithm"> | |
25380 <param name="retentionTimeInterpretation" value="iRT"/> | |
25381 <param name="override_group_label_check" value="false"/> | |
25382 <param name="force_invalid_mods" value="false"/> | |
25383 </section> | |
25384 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25385 <output name="ctd_out" ftype="xml"> | |
25386 <assert_contents> | |
25387 <is_valid_xml/> | |
25388 </assert_contents> | |
25389 </output> | |
25390 </test> | |
25391 <test expect_num_outputs="2"> | |
25392 <conditional name="adv_opts_cond"> | |
25393 <param name="adv_opts_selector" value="advanced"/> | |
25394 <param name="legacy_traml_id" value="false"/> | |
25395 <param name="force" value="false"/> | |
25396 <param name="test" value="true"/> | |
25397 </conditional> | |
25398 <param name="in" value="TargetedFileConverter_12_output.pqp.tmp"/> | |
25399 <output name="out" file="TargetedFileConverter_12_input.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25400 <param name="out_type" value="TraML"/> | |
25401 <section name="algorithm"> | |
25402 <param name="retentionTimeInterpretation" value="iRT"/> | |
25403 <param name="override_group_label_check" value="true"/> | |
25404 <param name="force_invalid_mods" value="false"/> | |
25405 </section> | |
25406 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25407 <output name="ctd_out" ftype="xml"> | |
25408 <assert_contents> | |
25409 <is_valid_xml/> | |
25410 </assert_contents> | |
25411 </output> | |
25412 </test> | |
25413 <test expect_num_outputs="2"> | |
25414 <conditional name="adv_opts_cond"> | |
25415 <param name="adv_opts_selector" value="advanced"/> | |
25416 <param name="legacy_traml_id" value="false"/> | |
25417 <param name="force" value="false"/> | |
25418 <param name="test" value="true"/> | |
25419 </conditional> | |
25420 <param name="in" value="TargetedFileConverter_12_input.tsv" ftype="tabular"/> | |
25421 <output name="out" file="TargetedFileConverter_13_output.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25422 <param name="out_type" value="TraML"/> | |
25423 <section name="algorithm"> | |
25424 <param name="retentionTimeInterpretation" value="iRT"/> | |
25425 <param name="override_group_label_check" value="false"/> | |
25426 <param name="force_invalid_mods" value="false"/> | |
25427 </section> | |
25428 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25429 <output name="ctd_out" ftype="xml"> | |
25430 <assert_contents> | |
25431 <is_valid_xml/> | |
25432 </assert_contents> | |
25433 </output> | |
25434 </test> | |
25435 <test expect_num_outputs="2"> | |
25436 <conditional name="adv_opts_cond"> | |
25437 <param name="adv_opts_selector" value="advanced"/> | |
25438 <param name="legacy_traml_id" value="false"/> | |
25439 <param name="force" value="false"/> | |
25440 <param name="test" value="true"/> | |
25441 </conditional> | |
25442 <param name="in" value="ConvertTSVToTraML_5_output.TraML"/> | |
25443 <output name="out" file="ConvertTraMLToTSV_output_2.tmp.tsv" compare="sim_size" delta="5700" ftype="tabular"/> | |
25444 <param name="out_type" value="tsv"/> | |
25445 <section name="algorithm"> | |
25446 <param name="retentionTimeInterpretation" value="iRT"/> | |
25447 <param name="override_group_label_check" value="false"/> | |
25448 <param name="force_invalid_mods" value="false"/> | |
25449 </section> | |
25450 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25451 <output name="ctd_out" ftype="xml"> | |
25452 <assert_contents> | |
25453 <is_valid_xml/> | |
25454 </assert_contents> | |
25455 </output> | |
25456 </test> | |
25457 <test expect_num_outputs="2"> | |
25458 <conditional name="adv_opts_cond"> | |
25459 <param name="adv_opts_selector" value="advanced"/> | |
25460 <param name="legacy_traml_id" value="false"/> | |
25461 <param name="force" value="false"/> | |
25462 <param name="test" value="true"/> | |
25463 </conditional> | |
25464 <param name="in" value="AssayGeneratorMetabo_ams_uku_output_consensus.tsv" ftype="tabular"/> | |
25465 <output name="out" file="AssayGeneratorMetabo_ams_uku_output_consensus_traml.tmp.TraML" compare="sim_size" delta="5700" ftype="traml"/> | |
25466 <param name="out_type" value="traml"/> | |
25467 <section name="algorithm"> | |
25468 <param name="retentionTimeInterpretation" value="iRT"/> | |
25469 <param name="override_group_label_check" value="false"/> | |
25470 <param name="force_invalid_mods" value="false"/> | |
25471 </section> | |
25472 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25473 <output name="ctd_out" ftype="xml"> | |
25474 <assert_contents> | |
25475 <is_valid_xml/> | |
25476 </assert_contents> | |
25477 </output> | |
25478 </test> | |
25479 </xml> | |
25480 <xml name="autotest_TextExporter"> | |
25481 <test expect_num_outputs="2"> | |
25482 <conditional name="adv_opts_cond"> | |
25483 <param name="adv_opts_selector" value="advanced"/> | |
25484 <param name="force" value="false"/> | |
25485 <param name="test" value="true"/> | |
25486 </conditional> | |
25487 <param name="in" value="TextExporter_1_input.featureXML"/> | |
25488 <output name="out" file="TextExporter_1_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
25489 <param name="separator" value=""/> | |
25490 <param name="replacement" value="_"/> | |
25491 <param name="quoting" value="none"/> | |
25492 <param name="no_ids" value="false"/> | |
25493 <section name="feature"> | |
25494 <param name="minimal" value="false"/> | |
25495 <param name="add_metavalues" value="-1"/> | |
25496 </section> | |
25497 <section name="id"> | |
25498 <param name="proteins_only" value="false"/> | |
25499 <param name="peptides_only" value="false"/> | |
25500 <param name="protein_groups" value="false"/> | |
25501 <param name="first_dim_rt" value="false"/> | |
25502 <param name="add_metavalues" value="-1"/> | |
25503 <param name="add_hit_metavalues" value="-1"/> | |
25504 <param name="add_protein_hit_metavalues" value="-1"/> | |
25505 </section> | |
25506 <section name="consensus"> | |
25507 <param name="sorting_method" value="none"/> | |
25508 <param name="sort_by_maps" value="false"/> | |
25509 <param name="sort_by_size" value="false"/> | |
25510 </section> | |
25511 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
25512 <output name="ctd_out" ftype="xml"> | |
25513 <assert_contents> | |
25514 <is_valid_xml/> | |
25515 </assert_contents> | |
25516 </output> | |
25517 </test> | |
25518 <test expect_num_outputs="5"> | |
25519 <conditional name="adv_opts_cond"> | |
25520 <param name="adv_opts_selector" value="advanced"/> | |
25521 <param name="force" value="false"/> | |
25522 <param name="test" value="true"/> | |
25523 </conditional> | |
25524 <param name="in" value="TextExporter_2_input.consensusXML"/> | |
25525 <output name="out" file="TextExporter_2_consensus_tsv.tmp" compare="sim_size" delta="5700" ftype="csv"/> | |
25526 <param name="separator" value=""/> | |
25527 <param name="replacement" value="_"/> | |
25528 <param name="quoting" value="none"/> | |
25529 <param name="no_ids" value="true"/> | |
25530 <section name="feature"> | |
25531 <param name="minimal" value="false"/> | |
25532 <param name="add_metavalues" value="-1"/> | |
25533 </section> | |
25534 <section name="id"> | |
25535 <param name="proteins_only" value="false"/> | |
25536 <param name="peptides_only" value="false"/> | |
25537 <param name="protein_groups" value="false"/> | |
25538 <param name="first_dim_rt" value="false"/> | |
25539 <param name="add_metavalues" value="-1"/> | |
25540 <param name="add_hit_metavalues" value="-1"/> | |
25541 <param name="add_protein_hit_metavalues" value="-1"/> | |
25542 </section> | |
25543 <section name="consensus"> | |
25544 <param name="sorting_method" value="RT_then_MZ"/> | |
25545 <param name="sort_by_maps" value="true"/> | |
25546 <param name="sort_by_size" value="true"/> | |
25547 </section> | |
25548 <output name="consensus_centroids" file="TextExporter_2_consensus_centroids.tmp" compare="sim_size" delta="5700" ftype="csv"/> | |
25549 <output name="consensus_elements" file="TextExporter_2_consensus_elements.tmp" compare="sim_size" delta="5700" ftype="csv"/> | |
25550 <output name="consensus_features" file="TextExporter_2_consensus_features.tmp" compare="sim_size" delta="5700" ftype="csv"/> | |
25551 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG,centroids_FLAG,elements_FLAG,features_FLAG"/> | |
25552 <output name="ctd_out" ftype="xml"> | |
25553 <assert_contents> | |
25554 <is_valid_xml/> | |
25555 </assert_contents> | |
25556 </output> | |
25557 </test> | |
25558 <test expect_num_outputs="2"> | |
25559 <conditional name="adv_opts_cond"> | |
25560 <param name="adv_opts_selector" value="advanced"/> | |
25561 <param name="force" value="false"/> | |
25562 <param name="test" value="true"/> | |
25563 </conditional> | |
25564 <param name="in" value="TextExporter_3_input.idXML"/> | |
25565 <output name="out" file="TextExporter_3_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
25566 <param name="separator" value=""/> | |
25567 <param name="replacement" value="_"/> | |
25568 <param name="quoting" value="none"/> | |
25569 <param name="no_ids" value="false"/> | |
25570 <section name="feature"> | |
25571 <param name="minimal" value="false"/> | |
25572 <param name="add_metavalues" value="-1"/> | |
25573 </section> | |
25574 <section name="id"> | |
25575 <param name="proteins_only" value="false"/> | |
25576 <param name="peptides_only" value="false"/> | |
25577 <param name="protein_groups" value="false"/> | |
25578 <param name="first_dim_rt" value="false"/> | |
25579 <param name="add_metavalues" value="-1"/> | |
25580 <param name="add_hit_metavalues" value="-1"/> | |
25581 <param name="add_protein_hit_metavalues" value="-1"/> | |
25582 </section> | |
25583 <section name="consensus"> | |
25584 <param name="sorting_method" value="none"/> | |
25585 <param name="sort_by_maps" value="false"/> | |
25586 <param name="sort_by_size" value="false"/> | |
25587 </section> | |
25588 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
25589 <output name="ctd_out" ftype="xml"> | |
25590 <assert_contents> | |
25591 <is_valid_xml/> | |
25592 </assert_contents> | |
25593 </output> | |
25594 </test> | |
25595 <test expect_num_outputs="2"> | |
25596 <conditional name="adv_opts_cond"> | |
25597 <param name="adv_opts_selector" value="advanced"/> | |
25598 <param name="force" value="false"/> | |
25599 <param name="test" value="true"/> | |
25600 </conditional> | |
25601 <param name="in" value="TextExporter_3_input.idXML"/> | |
25602 <output name="out" file="TextExporter_4_output_proteins.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
25603 <param name="separator" value=""/> | |
25604 <param name="replacement" value="_"/> | |
25605 <param name="quoting" value="none"/> | |
25606 <param name="no_ids" value="false"/> | |
25607 <section name="feature"> | |
25608 <param name="minimal" value="false"/> | |
25609 <param name="add_metavalues" value="-1"/> | |
25610 </section> | |
25611 <section name="id"> | |
25612 <param name="proteins_only" value="true"/> | |
25613 <param name="peptides_only" value="false"/> | |
25614 <param name="protein_groups" value="false"/> | |
25615 <param name="first_dim_rt" value="false"/> | |
25616 <param name="add_metavalues" value="-1"/> | |
25617 <param name="add_hit_metavalues" value="-1"/> | |
25618 <param name="add_protein_hit_metavalues" value="-1"/> | |
25619 </section> | |
25620 <section name="consensus"> | |
25621 <param name="sorting_method" value="none"/> | |
25622 <param name="sort_by_maps" value="false"/> | |
25623 <param name="sort_by_size" value="false"/> | |
25624 </section> | |
25625 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
25626 <output name="ctd_out" ftype="xml"> | |
25627 <assert_contents> | |
25628 <is_valid_xml/> | |
25629 </assert_contents> | |
25630 </output> | |
25631 </test> | |
25632 <test expect_num_outputs="2"> | |
25633 <conditional name="adv_opts_cond"> | |
25634 <param name="adv_opts_selector" value="advanced"/> | |
25635 <param name="force" value="false"/> | |
25636 <param name="test" value="true"/> | |
25637 </conditional> | |
25638 <param name="in" value="TextExporter_5_input.idXML"/> | |
25639 <output name="out" file="TextExporter_5_output_peptides.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
25640 <param name="separator" value=""/> | |
25641 <param name="replacement" value="_"/> | |
25642 <param name="quoting" value="none"/> | |
25643 <param name="no_ids" value="false"/> | |
25644 <section name="feature"> | |
25645 <param name="minimal" value="false"/> | |
25646 <param name="add_metavalues" value="-1"/> | |
25647 </section> | |
25648 <section name="id"> | |
25649 <param name="proteins_only" value="false"/> | |
25650 <param name="peptides_only" value="true"/> | |
25651 <param name="protein_groups" value="false"/> | |
25652 <param name="first_dim_rt" value="true"/> | |
25653 <param name="add_metavalues" value="-1"/> | |
25654 <param name="add_hit_metavalues" value="-1"/> | |
25655 <param name="add_protein_hit_metavalues" value="-1"/> | |
25656 </section> | |
25657 <section name="consensus"> | |
25658 <param name="sorting_method" value="none"/> | |
25659 <param name="sort_by_maps" value="false"/> | |
25660 <param name="sort_by_size" value="false"/> | |
25661 </section> | |
25662 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
25663 <output name="ctd_out" ftype="xml"> | |
25664 <assert_contents> | |
25665 <is_valid_xml/> | |
25666 </assert_contents> | |
25667 </output> | |
25668 </test> | |
25669 <test expect_num_outputs="2"> | |
25670 <conditional name="adv_opts_cond"> | |
25671 <param name="adv_opts_selector" value="advanced"/> | |
25672 <param name="force" value="false"/> | |
25673 <param name="test" value="true"/> | |
25674 </conditional> | |
25675 <param name="in" value="TextExporter_6_input.featureXML"/> | |
25676 <output name="out" file="TextExporter_6_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
25677 <param name="separator" value=""/> | |
25678 <param name="replacement" value="_"/> | |
25679 <param name="quoting" value="none"/> | |
25680 <param name="no_ids" value="true"/> | |
25681 <section name="feature"> | |
25682 <param name="minimal" value="false"/> | |
25683 <param name="add_metavalues" value="-1"/> | |
25684 </section> | |
25685 <section name="id"> | |
25686 <param name="proteins_only" value="false"/> | |
25687 <param name="peptides_only" value="false"/> | |
25688 <param name="protein_groups" value="false"/> | |
25689 <param name="first_dim_rt" value="false"/> | |
25690 <param name="add_metavalues" value="-1"/> | |
25691 <param name="add_hit_metavalues" value="-1"/> | |
25692 <param name="add_protein_hit_metavalues" value="-1"/> | |
25693 </section> | |
25694 <section name="consensus"> | |
25695 <param name="sorting_method" value="none"/> | |
25696 <param name="sort_by_maps" value="false"/> | |
25697 <param name="sort_by_size" value="false"/> | |
25698 </section> | |
25699 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
25700 <output name="ctd_out" ftype="xml"> | |
25701 <assert_contents> | |
25702 <is_valid_xml/> | |
25703 </assert_contents> | |
25704 </output> | |
25705 </test> | |
25706 <test expect_num_outputs="2"> | |
25707 <conditional name="adv_opts_cond"> | |
25708 <param name="adv_opts_selector" value="advanced"/> | |
25709 <param name="force" value="false"/> | |
25710 <param name="test" value="true"/> | |
25711 </conditional> | |
25712 <param name="in" value="TextExporter_7_input.consensusXML"/> | |
25713 <output name="out" file="TextExporter_7_consensus_tsv.tmp" compare="sim_size" delta="5700" ftype="csv"/> | |
25714 <param name="separator" value=""/> | |
25715 <param name="replacement" value="_"/> | |
25716 <param name="quoting" value="none"/> | |
25717 <param name="no_ids" value="false"/> | |
25718 <section name="feature"> | |
25719 <param name="minimal" value="false"/> | |
25720 <param name="add_metavalues" value="-1"/> | |
25721 </section> | |
25722 <section name="id"> | |
25723 <param name="proteins_only" value="false"/> | |
25724 <param name="peptides_only" value="false"/> | |
25725 <param name="protein_groups" value="false"/> | |
25726 <param name="first_dim_rt" value="false"/> | |
25727 <param name="add_metavalues" value="-1"/> | |
25728 <param name="add_hit_metavalues" value="-1"/> | |
25729 <param name="add_protein_hit_metavalues" value="-1"/> | |
25730 </section> | |
25731 <section name="consensus"> | |
25732 <param name="sorting_method" value="RT_then_MZ"/> | |
25733 <param name="sort_by_maps" value="true"/> | |
25734 <param name="sort_by_size" value="true"/> | |
25735 </section> | |
25736 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
25737 <output name="ctd_out" ftype="xml"> | |
25738 <assert_contents> | |
25739 <is_valid_xml/> | |
25740 </assert_contents> | |
25741 </output> | |
25742 </test> | |
25743 <test expect_num_outputs="2"> | |
25744 <conditional name="adv_opts_cond"> | |
25745 <param name="adv_opts_selector" value="advanced"/> | |
25746 <param name="force" value="false"/> | |
25747 <param name="test" value="true"/> | |
25748 </conditional> | |
25749 <param name="in" value="TextExporter_1_input.featureXML"/> | |
25750 <output name="out" file="TextExporter_8_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
25751 <param name="separator" value=""/> | |
25752 <param name="replacement" value="_"/> | |
25753 <param name="quoting" value="none"/> | |
25754 <param name="no_ids" value="true"/> | |
25755 <section name="feature"> | |
25756 <param name="minimal" value="false"/> | |
25757 <param name="add_metavalues" value="-1"/> | |
25758 </section> | |
25759 <section name="id"> | |
25760 <param name="proteins_only" value="false"/> | |
25761 <param name="peptides_only" value="false"/> | |
25762 <param name="protein_groups" value="false"/> | |
25763 <param name="first_dim_rt" value="false"/> | |
25764 <param name="add_metavalues" value="-1"/> | |
25765 <param name="add_hit_metavalues" value="-1"/> | |
25766 <param name="add_protein_hit_metavalues" value="-1"/> | |
25767 </section> | |
25768 <section name="consensus"> | |
25769 <param name="sorting_method" value="none"/> | |
25770 <param name="sort_by_maps" value="false"/> | |
25771 <param name="sort_by_size" value="false"/> | |
25772 </section> | |
25773 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
25774 <output name="ctd_out" ftype="xml"> | |
25775 <assert_contents> | |
25776 <is_valid_xml/> | |
25777 </assert_contents> | |
25778 </output> | |
25779 </test> | |
25780 <test expect_num_outputs="2"> | |
25781 <conditional name="adv_opts_cond"> | |
25782 <param name="adv_opts_selector" value="advanced"/> | |
25783 <param name="force" value="false"/> | |
25784 <param name="test" value="true"/> | |
25785 </conditional> | |
25786 <param name="in" value="TextExporter_9_input.idXML"/> | |
25787 <output name="out" file="TextExporter_9_output.txt" compare="sim_size" delta="5700" ftype="csv"/> | |
25788 <param name="separator" value=""/> | |
25789 <param name="replacement" value="_"/> | |
25790 <param name="quoting" value="none"/> | |
25791 <param name="no_ids" value="false"/> | |
25792 <section name="feature"> | |
25793 <param name="minimal" value="false"/> | |
25794 <param name="add_metavalues" value="-1"/> | |
25795 </section> | |
25796 <section name="id"> | |
25797 <param name="proteins_only" value="false"/> | |
25798 <param name="peptides_only" value="false"/> | |
25799 <param name="protein_groups" value="false"/> | |
25800 <param name="first_dim_rt" value="false"/> | |
25801 <param name="add_metavalues" value="0"/> | |
25802 <param name="add_hit_metavalues" value="0"/> | |
25803 <param name="add_protein_hit_metavalues" value="-1"/> | |
25804 </section> | |
25805 <section name="consensus"> | |
25806 <param name="sorting_method" value="none"/> | |
25807 <param name="sort_by_maps" value="false"/> | |
25808 <param name="sort_by_size" value="false"/> | |
25809 </section> | |
25810 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
25811 <output name="ctd_out" ftype="xml"> | |
25812 <assert_contents> | |
25813 <is_valid_xml/> | |
25814 </assert_contents> | |
25815 </output> | |
25816 </test> | |
25817 </xml> | |
25818 <xml name="autotest_TICCalculator"> | |
25819 <test expect_num_outputs="1"> | |
25820 <conditional name="adv_opts_cond"> | |
25821 <param name="adv_opts_selector" value="advanced"/> | |
25822 <param name="force" value="false"/> | |
25823 <param name="test" value="true"/> | |
25824 </conditional> | |
25825 <param name="in" value="MapNormalizer_output.mzML"/> | |
25826 <param name="read_method" value="regular"/> | |
25827 <param name="loadData" value="true"/> | |
25828 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25829 <output name="ctd_out" ftype="xml"> | |
25830 <assert_contents> | |
25831 <is_valid_xml/> | |
25832 </assert_contents> | |
25833 </output> | |
25834 </test> | |
25835 <test expect_num_outputs="1"> | |
25836 <conditional name="adv_opts_cond"> | |
25837 <param name="adv_opts_selector" value="advanced"/> | |
25838 <param name="force" value="false"/> | |
25839 <param name="test" value="true"/> | |
25840 </conditional> | |
25841 <param name="in" value="MapNormalizer_output.mzML"/> | |
25842 <param name="read_method" value="streaming"/> | |
25843 <param name="loadData" value="true"/> | |
25844 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25845 <output name="ctd_out" ftype="xml"> | |
25846 <assert_contents> | |
25847 <is_valid_xml/> | |
25848 </assert_contents> | |
25849 </output> | |
25850 </test> | |
25851 <test expect_num_outputs="1"> | |
25852 <conditional name="adv_opts_cond"> | |
25853 <param name="adv_opts_selector" value="advanced"/> | |
25854 <param name="force" value="false"/> | |
25855 <param name="test" value="true"/> | |
25856 </conditional> | |
25857 <param name="in" value="MapNormalizer_output.mzML"/> | |
25858 <param name="read_method" value="streaming"/> | |
25859 <param name="loadData" value="false"/> | |
25860 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25861 <output name="ctd_out" ftype="xml"> | |
25862 <assert_contents> | |
25863 <is_valid_xml/> | |
25864 </assert_contents> | |
25865 </output> | |
25866 </test> | |
25867 <test expect_num_outputs="1"> | |
25868 <conditional name="adv_opts_cond"> | |
25869 <param name="adv_opts_selector" value="advanced"/> | |
25870 <param name="force" value="false"/> | |
25871 <param name="test" value="true"/> | |
25872 </conditional> | |
25873 <param name="in" value="MapNormalizer_output.mzML"/> | |
25874 <param name="read_method" value="indexed"/> | |
25875 <param name="loadData" value="true"/> | |
25876 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25877 <output name="ctd_out" ftype="xml"> | |
25878 <assert_contents> | |
25879 <is_valid_xml/> | |
25880 </assert_contents> | |
25881 </output> | |
25882 </test> | |
25883 <test expect_num_outputs="1"> | |
25884 <conditional name="adv_opts_cond"> | |
25885 <param name="adv_opts_selector" value="advanced"/> | |
25886 <param name="force" value="false"/> | |
25887 <param name="test" value="true"/> | |
25888 </conditional> | |
25889 <param name="in" value="MapNormalizer_output.mzML"/> | |
25890 <param name="read_method" value="indexed_parallel"/> | |
25891 <param name="loadData" value="true"/> | |
25892 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25893 <output name="ctd_out" ftype="xml"> | |
25894 <assert_contents> | |
25895 <is_valid_xml/> | |
25896 </assert_contents> | |
25897 </output> | |
25898 </test> | |
25899 </xml> | |
25900 <xml name="autotest_TOFCalibration"> | |
25901 <test expect_num_outputs="2"> | |
25902 <conditional name="adv_opts_cond"> | |
25903 <param name="adv_opts_selector" value="advanced"/> | |
25904 <param name="force" value="false"/> | |
25905 <param name="test" value="true"/> | |
25906 </conditional> | |
25907 <param name="in" value="TOFCalibration_1_input.mzML"/> | |
25908 <output name="out" file="TOFCalibration_1_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
25909 <param name="ext_calibrants" value="TOFCalibration_1_calibrants.mzML"/> | |
25910 <param name="ref_masses" value="TOFCalibration_ref_masses.txt" ftype="txt"/> | |
25911 <param name="tof_const" value="TOFCalibration_const.csv" ftype="csv"/> | |
25912 <param name="peak_data" value="false"/> | |
25913 <section name="algorithm"> | |
25914 <section name="PeakPicker"> | |
25915 <param name="signal_to_noise" value="3.0"/> | |
25916 <param name="centroid_percentage" value="0.6"/> | |
25917 <param name="peak_width" value="0.15"/> | |
25918 <param name="estimate_peak_width" value="false"/> | |
25919 <param name="fwhm_lower_bound_factor" value="0.7"/> | |
25920 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
25921 <section name="optimization"> | |
25922 <param name="iterations" value="400"/> | |
25923 <section name="penalties"> | |
25924 <param name="position" value="0.0"/> | |
25925 <param name="left_width" value="1.0"/> | |
25926 <param name="right_width" value="1.0"/> | |
25927 <param name="height" value="1.0"/> | |
25928 </section> | |
25929 <section name="2d"> | |
25930 <param name="tolerance_mz" value="2.2"/> | |
25931 <param name="max_peak_distance" value="1.2"/> | |
25932 </section> | |
25933 </section> | |
25934 <section name="thresholds"> | |
25935 <param name="peak_bound" value="400.0"/> | |
25936 <param name="peak_bound_ms2_level" value="10.0"/> | |
25937 <param name="correlation" value="0.0"/> | |
25938 <param name="noise_level" value="0.1"/> | |
25939 <param name="search_radius" value="3"/> | |
25940 </section> | |
25941 <section name="wavelet_transform"> | |
25942 <param name="spacing" value="0.001"/> | |
25943 </section> | |
25944 <section name="deconvolution"> | |
25945 <param name="deconvolution" value="false"/> | |
25946 <param name="asym_threshold" value="0.3"/> | |
25947 <param name="left_width" value="2.0"/> | |
25948 <param name="right_width" value="2.0"/> | |
25949 <param name="scaling" value="0.12"/> | |
25950 <section name="fitting"> | |
25951 <param name="fwhm_threshold" value="0.7"/> | |
25952 <param name="eps_abs" value="9.999999747378752e-06"/> | |
25953 <param name="eps_rel" value="9.999999747378752e-06"/> | |
25954 <param name="max_iteration" value="10"/> | |
25955 <section name="penalties"> | |
25956 <param name="position" value="0.0"/> | |
25957 <param name="height" value="1.0"/> | |
25958 <param name="left_width" value="0.0"/> | |
25959 <param name="right_width" value="0.0"/> | |
25960 </section> | |
25961 </section> | |
25962 </section> | |
25963 <section name="SignalToNoiseEstimationParameter"> | |
25964 <param name="max_intensity" value="-1"/> | |
25965 <param name="auto_max_stdev_factor" value="3.0"/> | |
25966 <param name="auto_max_percentile" value="95"/> | |
25967 <param name="auto_mode" value="0"/> | |
25968 <param name="win_len" value="200.0"/> | |
25969 <param name="bin_count" value="30"/> | |
25970 <param name="stdev_mp" value="3.0"/> | |
25971 <param name="min_required_elements" value="10"/> | |
25972 <param name="noise_for_empty_window" value="1e+20"/> | |
25973 </section> | |
25974 </section> | |
25975 </section> | |
25976 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
25977 <output name="ctd_out" ftype="xml"> | |
25978 <assert_contents> | |
25979 <is_valid_xml/> | |
25980 </assert_contents> | |
25981 </output> | |
25982 </test> | |
25983 <test expect_num_outputs="2"> | |
25984 <conditional name="adv_opts_cond"> | |
25985 <param name="adv_opts_selector" value="advanced"/> | |
25986 <param name="force" value="false"/> | |
25987 <param name="test" value="true"/> | |
25988 </conditional> | |
25989 <param name="in" value="TOFCalibration_2_input.mzML"/> | |
25990 <output name="out" file="TOFCalibration_2_output.mzML" compare="sim_size" delta="5700" ftype="mzml"/> | |
25991 <param name="ext_calibrants" value="TOFCalibration_2_calibrants.mzML"/> | |
25992 <param name="ref_masses" value="TOFCalibration_ref_masses.txt" ftype="txt"/> | |
25993 <param name="tof_const" value="TOFCalibration_const.csv" ftype="csv"/> | |
25994 <param name="peak_data" value="true"/> | |
25995 <section name="algorithm"> | |
25996 <section name="PeakPicker"> | |
25997 <param name="signal_to_noise" value="3.0"/> | |
25998 <param name="centroid_percentage" value="0.6"/> | |
25999 <param name="peak_width" value="0.15"/> | |
26000 <param name="estimate_peak_width" value="false"/> | |
26001 <param name="fwhm_lower_bound_factor" value="0.7"/> | |
26002 <param name="fwhm_upper_bound_factor" value="20.0"/> | |
26003 <section name="optimization"> | |
26004 <param name="iterations" value="400"/> | |
26005 <section name="penalties"> | |
26006 <param name="position" value="0.0"/> | |
26007 <param name="left_width" value="1.0"/> | |
26008 <param name="right_width" value="1.0"/> | |
26009 <param name="height" value="1.0"/> | |
26010 </section> | |
26011 <section name="2d"> | |
26012 <param name="tolerance_mz" value="2.2"/> | |
26013 <param name="max_peak_distance" value="1.2"/> | |
26014 </section> | |
26015 </section> | |
26016 <section name="thresholds"> | |
26017 <param name="peak_bound" value="400.0"/> | |
26018 <param name="peak_bound_ms2_level" value="10.0"/> | |
26019 <param name="correlation" value="0.0"/> | |
26020 <param name="noise_level" value="0.1"/> | |
26021 <param name="search_radius" value="3"/> | |
26022 </section> | |
26023 <section name="wavelet_transform"> | |
26024 <param name="spacing" value="0.001"/> | |
26025 </section> | |
26026 <section name="deconvolution"> | |
26027 <param name="deconvolution" value="false"/> | |
26028 <param name="asym_threshold" value="0.3"/> | |
26029 <param name="left_width" value="2.0"/> | |
26030 <param name="right_width" value="2.0"/> | |
26031 <param name="scaling" value="0.12"/> | |
26032 <section name="fitting"> | |
26033 <param name="fwhm_threshold" value="0.7"/> | |
26034 <param name="eps_abs" value="9.999999747378752e-06"/> | |
26035 <param name="eps_rel" value="9.999999747378752e-06"/> | |
26036 <param name="max_iteration" value="10"/> | |
26037 <section name="penalties"> | |
26038 <param name="position" value="0.0"/> | |
26039 <param name="height" value="1.0"/> | |
26040 <param name="left_width" value="0.0"/> | |
26041 <param name="right_width" value="0.0"/> | |
26042 </section> | |
26043 </section> | |
26044 </section> | |
26045 <section name="SignalToNoiseEstimationParameter"> | |
26046 <param name="max_intensity" value="-1"/> | |
26047 <param name="auto_max_stdev_factor" value="3.0"/> | |
26048 <param name="auto_max_percentile" value="95"/> | |
26049 <param name="auto_mode" value="0"/> | |
26050 <param name="win_len" value="200.0"/> | |
26051 <param name="bin_count" value="30"/> | |
26052 <param name="stdev_mp" value="3.0"/> | |
26053 <param name="min_required_elements" value="10"/> | |
26054 <param name="noise_for_empty_window" value="1e+20"/> | |
26055 </section> | |
26056 </section> | |
26057 </section> | |
26058 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG"/> | |
26059 <output name="ctd_out" ftype="xml"> | |
26060 <assert_contents> | |
26061 <is_valid_xml/> | |
26062 </assert_contents> | |
26063 </output> | |
26064 </test> | |
26065 </xml> | |
26066 <xml name="autotest_TransformationEvaluation"> | |
26067 </xml> | |
26068 <xml name="autotest_XFDR"> | |
26069 <test expect_num_outputs="4"> | |
26070 <conditional name="adv_opts_cond"> | |
26071 <param name="adv_opts_selector" value="advanced"/> | |
26072 <param name="force" value="false"/> | |
26073 <param name="test" value="true"/> | |
26074 </conditional> | |
26075 <param name="in" value="XFDR_test_in1.idXML"/> | |
26076 <output name="out_idXML" file="XFDR_test_out1_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26077 <output name="out_mzIdentML" file="XFDR_test_out1_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
26078 <output name="out_xquest" file="XFDR_test_out1_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
26079 <param name="decoy_string" value="DECOY_"/> | |
26080 <param name="minborder" value="-50.0"/> | |
26081 <param name="maxborder" value="50.0"/> | |
26082 <param name="mindeltas" value="0.0"/> | |
26083 <param name="minionsmatched" value="0"/> | |
26084 <param name="uniquexl" value="false"/> | |
26085 <param name="no_qvalues" value="false"/> | |
26086 <param name="minscore" value="-10.0"/> | |
26087 <param name="binsize" value="0.1"/> | |
26088 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
26089 <output name="ctd_out" ftype="xml"> | |
26090 <assert_contents> | |
26091 <is_valid_xml/> | |
26092 </assert_contents> | |
26093 </output> | |
26094 </test> | |
26095 <test expect_num_outputs="4"> | |
26096 <conditional name="adv_opts_cond"> | |
26097 <param name="adv_opts_selector" value="advanced"/> | |
26098 <param name="force" value="false"/> | |
26099 <param name="test" value="true"/> | |
26100 </conditional> | |
26101 <param name="in" value="XFDR_test_in1.idXML"/> | |
26102 <output name="out_idXML" file="XFDR_test_out2_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26103 <output name="out_mzIdentML" file="XFDR_test_out2_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
26104 <output name="out_xquest" file="XFDR_test_out2_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
26105 <param name="decoy_string" value="DECOY_"/> | |
26106 <param name="minborder" value="-50.0"/> | |
26107 <param name="maxborder" value="50.0"/> | |
26108 <param name="mindeltas" value="0.0"/> | |
26109 <param name="minionsmatched" value="0"/> | |
26110 <param name="uniquexl" value="true"/> | |
26111 <param name="no_qvalues" value="true"/> | |
26112 <param name="minscore" value="-10.0"/> | |
26113 <param name="binsize" value="0.1"/> | |
26114 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
26115 <output name="ctd_out" ftype="xml"> | |
26116 <assert_contents> | |
26117 <is_valid_xml/> | |
26118 </assert_contents> | |
26119 </output> | |
26120 </test> | |
26121 <test expect_num_outputs="4"> | |
26122 <conditional name="adv_opts_cond"> | |
26123 <param name="adv_opts_selector" value="advanced"/> | |
26124 <param name="force" value="false"/> | |
26125 <param name="test" value="true"/> | |
26126 </conditional> | |
26127 <param name="in" value="XFDR_test_in2.xquest.xml"/> | |
26128 <output name="out_idXML" file="XFDR_test_out3_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26129 <output name="out_mzIdentML" file="XFDR_test_out3_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
26130 <output name="out_xquest" file="XFDR_test_out3_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
26131 <param name="decoy_string" value="DECOY_"/> | |
26132 <param name="minborder" value="-50.0"/> | |
26133 <param name="maxborder" value="50.0"/> | |
26134 <param name="mindeltas" value="0.0"/> | |
26135 <param name="minionsmatched" value="0"/> | |
26136 <param name="uniquexl" value="false"/> | |
26137 <param name="no_qvalues" value="false"/> | |
26138 <param name="minscore" value="0.0"/> | |
26139 <param name="binsize" value="0.1"/> | |
26140 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
26141 <output name="ctd_out" ftype="xml"> | |
26142 <assert_contents> | |
26143 <is_valid_xml/> | |
26144 </assert_contents> | |
26145 </output> | |
26146 </test> | |
26147 <test expect_num_outputs="4"> | |
26148 <conditional name="adv_opts_cond"> | |
26149 <param name="adv_opts_selector" value="advanced"/> | |
26150 <param name="force" value="false"/> | |
26151 <param name="test" value="true"/> | |
26152 </conditional> | |
26153 <param name="in" value="XFDR_test_in2.xquest.xml"/> | |
26154 <output name="out_idXML" file="XFDR_test_out4_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26155 <output name="out_mzIdentML" file="XFDR_test_out4_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
26156 <output name="out_xquest" file="XFDR_test_out4_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
26157 <param name="decoy_string" value="DECOY_"/> | |
26158 <param name="minborder" value="-3.0"/> | |
26159 <param name="maxborder" value="3.0"/> | |
26160 <param name="mindeltas" value="0.0"/> | |
26161 <param name="minionsmatched" value="0"/> | |
26162 <param name="uniquexl" value="false"/> | |
26163 <param name="no_qvalues" value="false"/> | |
26164 <param name="minscore" value="-10.0"/> | |
26165 <param name="binsize" value="0.1"/> | |
26166 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
26167 <output name="ctd_out" ftype="xml"> | |
26168 <assert_contents> | |
26169 <is_valid_xml/> | |
26170 </assert_contents> | |
26171 </output> | |
26172 </test> | |
26173 <test expect_num_outputs="4"> | |
26174 <conditional name="adv_opts_cond"> | |
26175 <param name="adv_opts_selector" value="advanced"/> | |
26176 <param name="force" value="false"/> | |
26177 <param name="test" value="true"/> | |
26178 </conditional> | |
26179 <param name="in" value="XFDR_test_in3.xquest.xml"/> | |
26180 <output name="out_idXML" file="XFDR_test_out5_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26181 <output name="out_mzIdentML" file="XFDR_test_out5_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
26182 <output name="out_xquest" file="XFDR_test_out5_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
26183 <param name="decoy_string" value="DECOY_"/> | |
26184 <param name="minborder" value="-3.0"/> | |
26185 <param name="maxborder" value="3.0"/> | |
26186 <param name="mindeltas" value="0.0"/> | |
26187 <param name="minionsmatched" value="0"/> | |
26188 <param name="uniquexl" value="false"/> | |
26189 <param name="no_qvalues" value="false"/> | |
26190 <param name="minscore" value="-10.0"/> | |
26191 <param name="binsize" value="0.1"/> | |
26192 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
26193 <output name="ctd_out" ftype="xml"> | |
26194 <assert_contents> | |
26195 <is_valid_xml/> | |
26196 </assert_contents> | |
26197 </output> | |
26198 </test> | |
26199 <test expect_num_outputs="2"> | |
26200 <conditional name="adv_opts_cond"> | |
26201 <param name="adv_opts_selector" value="advanced"/> | |
26202 <param name="force" value="false"/> | |
26203 <param name="test" value="true"/> | |
26204 </conditional> | |
26205 <param name="in" value="XFDR_test_in4.idXML"/> | |
26206 <output name="out_idXML" file="XFDR_test_out6_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26207 <param name="decoy_string" value="DECOY_"/> | |
26208 <param name="minborder" value="-50.0"/> | |
26209 <param name="maxborder" value="50.0"/> | |
26210 <param name="mindeltas" value="0.0"/> | |
26211 <param name="minionsmatched" value="0"/> | |
26212 <param name="uniquexl" value="false"/> | |
26213 <param name="no_qvalues" value="false"/> | |
26214 <param name="minscore" value="-10.0"/> | |
26215 <param name="binsize" value="0.1"/> | |
26216 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG"/> | |
26217 <output name="ctd_out" ftype="xml"> | |
26218 <assert_contents> | |
26219 <is_valid_xml/> | |
26220 </assert_contents> | |
26221 </output> | |
26222 </test> | |
26223 <test expect_num_outputs="4"> | |
26224 <conditional name="adv_opts_cond"> | |
26225 <param name="adv_opts_selector" value="advanced"/> | |
26226 <param name="force" value="false"/> | |
26227 <param name="test" value="true"/> | |
26228 </conditional> | |
26229 <param name="in" value="XFDR_test_in2.xquest.xml"/> | |
26230 <output name="out_idXML" file="XFDR_test_out7_temp.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26231 <output name="out_mzIdentML" file="XFDR_test_out7_temp.mzid" compare="sim_size" delta="5700" ftype="mzid"/> | |
26232 <output name="out_xquest" file="XFDR_test_out7_temp.xquest.xml" compare="sim_size" delta="5700" ftype="xquest.xml"/> | |
26233 <param name="decoy_string" value="DECOY_"/> | |
26234 <param name="minborder" value="-50.0"/> | |
26235 <param name="maxborder" value="50.0"/> | |
26236 <param name="mindeltas" value="0.0"/> | |
26237 <param name="minionsmatched" value="0"/> | |
26238 <param name="uniquexl" value="true"/> | |
26239 <param name="no_qvalues" value="false"/> | |
26240 <param name="minscore" value="0.0"/> | |
26241 <param name="binsize" value="0.1"/> | |
26242 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_idXML_FLAG,out_mzIdentML_FLAG,out_xquest_FLAG"/> | |
26243 <output name="ctd_out" ftype="xml"> | |
26244 <assert_contents> | |
26245 <is_valid_xml/> | |
26246 </assert_contents> | |
26247 </output> | |
26248 </test> | |
26249 </xml> | |
26250 <xml name="autotest_XMLValidator"> | |
26251 </xml> | |
26252 <xml name="autotest_XTandemAdapter"> | |
26253 <test expect_num_outputs="2"> | |
26254 <conditional name="adv_opts_cond"> | |
26255 <param name="adv_opts_selector" value="advanced"/> | |
26256 <param name="force" value="false"/> | |
26257 <param name="test" value="true"/> | |
26258 </conditional> | |
26259 <param name="in" value="spectra.mzML"/> | |
26260 <output name="out" file="XTandemAdapter_1_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26261 <param name="database" value="proteins.fasta"/> | |
26262 <param name="default_config_file" value="CHEMISTRY/XTandem_default_input.xml"/> | |
26263 <param name="ignore_adapter_param" value="false"/> | |
26264 <param name="precursor_mass_tolerance" value="5.0"/> | |
26265 <param name="fragment_mass_tolerance" value="0.3"/> | |
26266 <param name="precursor_error_units" value="ppm"/> | |
26267 <param name="fragment_error_units" value="Da"/> | |
26268 <param name="max_precursor_charge" value="0"/> | |
26269 <param name="no_isotope_error" value="false"/> | |
26270 <param name="fixed_modifications" value=""/> | |
26271 <param name="variable_modifications" value="Oxidation (M)"/> | |
26272 <param name="minimum_fragment_mz" value="150.0"/> | |
26273 <param name="enzyme" value="Trypsin"/> | |
26274 <param name="missed_cleavages" value="1"/> | |
26275 <param name="semi_cleavage" value="false"/> | |
26276 <param name="output_results" value="all"/> | |
26277 <param name="max_valid_expect" value="0.1"/> | |
26278 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
26279 <output name="ctd_out" ftype="xml"> | |
26280 <assert_contents> | |
26281 <is_valid_xml/> | |
26282 </assert_contents> | |
26283 </output> | |
26284 </test> | |
26285 <test expect_num_outputs="2"> | |
26286 <conditional name="adv_opts_cond"> | |
26287 <param name="adv_opts_selector" value="advanced"/> | |
26288 <param name="force" value="false"/> | |
26289 <param name="test" value="true"/> | |
26290 </conditional> | |
26291 <param name="in" value="spectra.mzML"/> | |
26292 <output name="out" file="XTandemAdapter_2_out.idXML" compare="sim_size" delta="5700" ftype="idxml"/> | |
26293 <param name="database" value="proteins.fasta"/> | |
26294 <param name="default_config_file" value="CHEMISTRY/XTandem_default_input.xml"/> | |
26295 <param name="ignore_adapter_param" value="false"/> | |
26296 <param name="precursor_mass_tolerance" value="5.0"/> | |
26297 <param name="fragment_mass_tolerance" value="0.3"/> | |
26298 <param name="precursor_error_units" value="ppm"/> | |
26299 <param name="fragment_error_units" value="Da"/> | |
26300 <param name="max_precursor_charge" value="0"/> | |
26301 <param name="no_isotope_error" value="false"/> | |
26302 <param name="fixed_modifications" value=""/> | |
26303 <param name="variable_modifications" value="Oxidation (M)"/> | |
26304 <param name="minimum_fragment_mz" value="150.0"/> | |
26305 <param name="enzyme" value="Trypsin"/> | |
26306 <param name="missed_cleavages" value="1"/> | |
26307 <param name="semi_cleavage" value="false"/> | |
26308 <param name="output_results" value="valid"/> | |
26309 <param name="max_valid_expect" value="1e-14"/> | |
26310 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/> | |
26311 <output name="ctd_out" ftype="xml"> | |
26312 <assert_contents> | |
26313 <is_valid_xml/> | |
26314 </assert_contents> | |
26315 </output> | |
26316 </test> | |
26317 </xml> | |
26318 <xml name="autotest_IDDecoyProbability"/><xml name="autotest_PTPredict"/><xml name="autotest_OpenSwathDIAPreScoring"/><xml name="autotest_Digestor"/><xml name="autotest_InclusionExclusionListCreator"/><xml name="autotest_InspectAdapter"/><xml name="autotest_DigestorMotif"/><xml name="autotest_RTPredict"/><xml name="autotest_ProteomicsLFQ"/></macros> |