Mercurial > repos > galaxyp > proteomiqon_labelfreeproteinquantification
comparison labelfreeproteinquantification.xml @ 0:39fa1ddd587d draft default tip
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/proteomiqon_labelfreeproteinquantification commit 3d3272b1ebe527f4b1e80c08f915c6235625621c"
author | galaxyp |
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date | Wed, 13 Oct 2021 18:45:16 +0000 |
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-1:000000000000 | 0:39fa1ddd587d |
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1 <tool id="proteomiqon_labelfreeproteinquantification" name="Proteomiqon LabelFreeProteinQuantification" version="@VERSION@" profile="20.05"> | |
2 <description> | |
3 estimates protein abundances using quantified peptide ions. | |
4 </description> | |
5 <macros> | |
6 <token name="@VERSION@">0.0.1</token> | |
7 <import>aggregationparams.xml</import> | |
8 </macros> | |
9 <requirements> | |
10 <requirement type="package" version="@VERSION@">proteomiqon-labelfreeproteinquantification</requirement> | |
11 </requirements> | |
12 <command detect_errors="exit_code"><![CDATA[ | |
13 #import re | |
14 #for $quantAndProtFile in $proteinassignedquantpepions | |
15 #set basename = $re.sub(r'[^\w ,.\-+]','_',$quantAndProtFile.element_identifier) | |
16 ln -s '$quantAndProtFile' '${basename}.quantAndProt' && | |
17 #end for | |
18 #if $outputParamfile: | |
19 cat '$paramfile' >> '$out_paramfile' && | |
20 #end if | |
21 ln -s '$out_labelFreeQuant' 'LabelFreeQuant.txt' && | |
22 proteomiqon-labelfreeproteinquantification -i './' -p '$paramfile' -o './' | |
23 ]]> | |
24 </command> | |
25 <configfiles> | |
26 <configfile name="paramfile"> | |
27 <![CDATA[ | |
28 { | |
29 "ModificationFilter": { | |
30 "Case": "${ModificationFilterCond.ModificationFilter}", | |
31 #if $ModificationFilterCond.ModificationFilter == "UseOnly" | |
32 "Fields": [ | |
33 [ | |
34 #for $mod in $ModificationFilterCond.ModificationFilterSequence | |
35 { | |
36 "Case": "${mod}" | |
37 }, | |
38 #end for | |
39 ] | |
40 ] | |
41 #end if | |
42 }, | |
43 #set $aggregationParams = $AggregatePeptideChargeStatesParams.AggregatePeptideChargeStatesParamsCond | |
44 #if $aggregationParams.AggregatePeptideChargeStatesParamsEnabled == "no" | |
45 "AggregatePeptideChargeStatesParams": null, | |
46 #else | |
47 "AggregatePeptideChargeStatesParams": { | |
48 "Case": "Some", | |
49 "Fields": [ | |
50 { | |
51 #set $TransformSection = $aggregationParams.Transform | |
52 #set $TransformLight = $TransformSection.TransformLightCond | |
53 #if $TransformLight.Type == "None" | |
54 "Transform": null, | |
55 #else | |
56 "Transform": { | |
57 "Case": "Some", | |
58 "Fields": [ | |
59 { | |
60 #if $TransformLight.Type == "None" | |
61 "Light": null, | |
62 #else | |
63 "Light": { | |
64 "Case": "Some", | |
65 "Fields": [ | |
66 { | |
67 "Case": "${TransformLight.Type}", | |
68 #if $TransformLight.Type != "Log2" | |
69 "Fields": [ | |
70 $TransformLight.Value | |
71 ] | |
72 #end if | |
73 } | |
74 ] | |
75 }, | |
76 #end if | |
77 } | |
78 ] | |
79 }, | |
80 #end if | |
81 #set $SingleFiltersSection = $aggregationParams.SingleFilters | |
82 #set $SingleFiltersLight = $SingleFiltersSection.Light | |
83 #if not $SingleFiltersLight.BiggerThan and not $SingleFiltersLight.SmallerThan | |
84 "SingleFilters": null, | |
85 #else | |
86 "SingleFilters": { | |
87 "Case": "Some", | |
88 "Fields": [ | |
89 { | |
90 #if not $SingleFiltersLight.BiggerThan and not $SingleFiltersLight.SmallerThan | |
91 "Light": null, | |
92 #else | |
93 "Light": { | |
94 "Case": "Some", | |
95 "Fields": [ | |
96 [ | |
97 #if $SingleFiltersLight.BiggerThan | |
98 { | |
99 "Case": "IsBiggerThan", | |
100 "Fields": [ | |
101 $SingleFiltersLight.BiggerThan | |
102 ] | |
103 }, | |
104 #end if | |
105 #if $SingleFiltersLight.SmallerThan | |
106 { | |
107 "Case": "IsSmallerThan", | |
108 "Fields": [ | |
109 $SingleFiltersLight.SmallerThan | |
110 ] | |
111 } | |
112 #end if | |
113 ] | |
114 ] | |
115 }, | |
116 #end if | |
117 } | |
118 ] | |
119 }, | |
120 #end if | |
121 #set $GroupFiltersSection = $aggregationParams.GroupFilters | |
122 #set $GroupFiltersLight = $GroupFiltersSection.Light | |
123 #if not $GroupFiltersLight.Tukey and not $GroupFiltersLight.Stdev | |
124 "GroupFilters": null, | |
125 #else | |
126 "GroupFilters": { | |
127 "Case": "Some", | |
128 "Fields": [ | |
129 { | |
130 #if not $GroupFiltersLight.Tukey and not $GroupFiltersLight.Stdev | |
131 "Light": null, | |
132 #else | |
133 "Light": { | |
134 "Case": "Some", | |
135 "Fields": [ | |
136 [ | |
137 #if $GroupFiltersLight.Tukey | |
138 { | |
139 "Case": "Tukey", | |
140 "Fields": [ | |
141 $GroupFiltersLight.Tukey | |
142 ] | |
143 }, | |
144 #end if | |
145 #if $GroupFiltersLight.Stdev | |
146 { | |
147 "Case": "Stdev", | |
148 "Fields": [ | |
149 $GroupFiltersLight.Stdev | |
150 ] | |
151 } | |
152 #end if | |
153 ] | |
154 ] | |
155 }, | |
156 #end if | |
157 } | |
158 ] | |
159 }, | |
160 #end if | |
161 "Aggregation": { | |
162 "Light": { | |
163 "Case": "${aggregationParams.Aggregation.AggregationLight}" | |
164 } | |
165 } | |
166 } | |
167 ] | |
168 }, | |
169 #end if | |
170 #set $aggregationParams = $AggregateModifiedPeptidesParams.AggregateModifiedPeptidesParamsCond | |
171 #if $aggregationParams.AggregateModifiedPeptidesParamsEnabled == "no" | |
172 "AggregateModifiedPeptidesParams": null, | |
173 #else | |
174 "AggregateModifiedPeptidesParams": { | |
175 "Case": "Some", | |
176 "Fields": [ | |
177 { | |
178 #set $TransformSection = $aggregationParams.Transform | |
179 #set $TransformLight = $TransformSection.TransformLightCond | |
180 #if $TransformLight.Type == "None" | |
181 "Transform": null, | |
182 #else | |
183 "Transform": { | |
184 "Case": "Some", | |
185 "Fields": [ | |
186 { | |
187 #if $TransformLight.Type == "None" | |
188 "Light": null, | |
189 #else | |
190 "Light": { | |
191 "Case": "Some", | |
192 "Fields": [ | |
193 { | |
194 "Case": "${TransformLight.Type}", | |
195 #if $TransformLight.Type != "Log2" | |
196 "Fields": [ | |
197 $TransformLight.Value | |
198 ] | |
199 #end if | |
200 } | |
201 ] | |
202 }, | |
203 #end if | |
204 } | |
205 ] | |
206 }, | |
207 #end if | |
208 #set $SingleFiltersSection = $aggregationParams.SingleFilters | |
209 #set $SingleFiltersLight = $SingleFiltersSection.Light | |
210 #if not $SingleFiltersLight.BiggerThan and not $SingleFiltersLight.SmallerThan | |
211 "SingleFilters": null, | |
212 #else | |
213 "SingleFilters": { | |
214 "Case": "Some", | |
215 "Fields": [ | |
216 { | |
217 #if not $SingleFiltersLight.BiggerThan and not $SingleFiltersLight.SmallerThan | |
218 "Light": null, | |
219 #else | |
220 "Light": { | |
221 "Case": "Some", | |
222 "Fields": [ | |
223 [ | |
224 #if $SingleFiltersLight.BiggerThan | |
225 { | |
226 "Case": "IsBiggerThan", | |
227 "Fields": [ | |
228 $SingleFiltersLight.BiggerThan | |
229 ] | |
230 }, | |
231 #end if | |
232 #if $SingleFiltersLight.SmallerThan | |
233 { | |
234 "Case": "IsSmallerThan", | |
235 "Fields": [ | |
236 $SingleFiltersLight.SmallerThan | |
237 ] | |
238 } | |
239 #end if | |
240 ] | |
241 ] | |
242 }, | |
243 #end if | |
244 } | |
245 ] | |
246 }, | |
247 #end if | |
248 #set $GroupFiltersSection = $aggregationParams.GroupFilters | |
249 #set $GroupFiltersLight = $GroupFiltersSection.Light | |
250 #if not $GroupFiltersLight.Tukey and not $GroupFiltersLight.Stdev | |
251 "GroupFilters": null, | |
252 #else | |
253 "GroupFilters": { | |
254 "Case": "Some", | |
255 "Fields": [ | |
256 { | |
257 #if not $GroupFiltersLight.Tukey and not $GroupFiltersLight.Stdev | |
258 "Light": null, | |
259 #else | |
260 "Light": { | |
261 "Case": "Some", | |
262 "Fields": [ | |
263 [ | |
264 #if $GroupFiltersLight.Tukey | |
265 { | |
266 "Case": "Tukey", | |
267 "Fields": [ | |
268 $GroupFiltersLight.Tukey | |
269 ] | |
270 }, | |
271 #end if | |
272 #if $GroupFiltersLight.Stdev | |
273 { | |
274 "Case": "Stdev", | |
275 "Fields": [ | |
276 $GroupFiltersLight.Stdev | |
277 ] | |
278 } | |
279 #end if | |
280 ] | |
281 ] | |
282 }, | |
283 #end if | |
284 } | |
285 ] | |
286 }, | |
287 #end if | |
288 "Aggregation": { | |
289 "Light": { | |
290 "Case": "${aggregationParams.Aggregation.AggregationLight}" | |
291 } | |
292 } | |
293 } | |
294 ] | |
295 }, | |
296 #end if | |
297 #set $aggregationParams = $AggregateToProteinGroupsParams | |
298 "AggregateToProteinGroupsParams": { | |
299 #set $TransformSection = $aggregationParams.Transform | |
300 #set $TransformLight = $TransformSection.TransformLightCond | |
301 #if $TransformLight.Type == "None" | |
302 "Transform": null, | |
303 #else | |
304 "Transform": { | |
305 "Case": "Some", | |
306 "Fields": [ | |
307 { | |
308 #if $TransformLight.Type == "None" | |
309 "Light": null, | |
310 #else | |
311 "Light": { | |
312 "Case": "Some", | |
313 "Fields": [ | |
314 { | |
315 "Case": "${TransformLight.Type}", | |
316 #if $TransformLight.Type != "Log2" | |
317 "Fields": [ | |
318 $TransformLight.Value | |
319 ] | |
320 #end if | |
321 } | |
322 ] | |
323 }, | |
324 #end if | |
325 } | |
326 ] | |
327 }, | |
328 #end if | |
329 #set $SingleFiltersSection = $aggregationParams.SingleFilters | |
330 #set $SingleFiltersLight = $SingleFiltersSection.Light | |
331 #if not $SingleFiltersLight.BiggerThan and not $SingleFiltersLight.SmallerThan | |
332 "SingleFilters": null, | |
333 #else | |
334 "SingleFilters": { | |
335 "Case": "Some", | |
336 "Fields": [ | |
337 { | |
338 #if not $SingleFiltersLight.BiggerThan and not $SingleFiltersLight.SmallerThan | |
339 "Light": null, | |
340 #else | |
341 "Light": { | |
342 "Case": "Some", | |
343 "Fields": [ | |
344 [ | |
345 #if $SingleFiltersLight.BiggerThan | |
346 { | |
347 "Case": "IsBiggerThan", | |
348 "Fields": [ | |
349 $SingleFiltersLight.BiggerThan | |
350 ] | |
351 }, | |
352 #end if | |
353 #if $SingleFiltersLight.SmallerThan | |
354 { | |
355 "Case": "IsSmallerThan", | |
356 "Fields": [ | |
357 $SingleFiltersLight.SmallerThan | |
358 ] | |
359 } | |
360 #end if | |
361 ] | |
362 ] | |
363 }, | |
364 #end if | |
365 } | |
366 ] | |
367 }, | |
368 #end if | |
369 #set $GroupFiltersSection = $aggregationParams.GroupFilters | |
370 #set $GroupFiltersLight = $GroupFiltersSection.Light | |
371 #if not $GroupFiltersLight.Tukey and not $GroupFiltersLight.Stdev | |
372 "GroupFilters": null, | |
373 #else | |
374 "GroupFilters": { | |
375 "Case": "Some", | |
376 "Fields": [ | |
377 { | |
378 #if not $GroupFiltersLight.Tukey and not $GroupFiltersLight.Stdev | |
379 "Light": null, | |
380 #else | |
381 "Light": { | |
382 "Case": "Some", | |
383 "Fields": [ | |
384 [ | |
385 #if $GroupFiltersLight.Tukey | |
386 { | |
387 "Case": "Tukey", | |
388 "Fields": [ | |
389 $GroupFiltersLight.Tukey | |
390 ] | |
391 }, | |
392 #end if | |
393 #if $GroupFiltersLight.Stdev | |
394 { | |
395 "Case": "Stdev", | |
396 "Fields": [ | |
397 $GroupFiltersLight.Stdev | |
398 ] | |
399 } | |
400 #end if | |
401 ] | |
402 ] | |
403 }, | |
404 #end if | |
405 } | |
406 ] | |
407 }, | |
408 #end if | |
409 "Aggregation": { | |
410 "Light": { | |
411 "Case": "${aggregationParams.Aggregation.AggregationLight}" | |
412 } | |
413 } | |
414 }, | |
415 } | |
416 ]]> | |
417 </configfile> | |
418 </configfiles> | |
419 <inputs> | |
420 <param name="proteinassignedquantpepions" type="data" format="tabular" label="Protein assigned quant pep ions" help="Specify list of .quantAndProt files" multiple="true"/> | |
421 <conditional name="ModificationFilterCond"> | |
422 <param name="ModificationFilter" type="select" label="Modification Filter"> | |
423 <option value="All" selected="true">All</option> | |
424 <option value="No">No</option> | |
425 <option value="UseOnly">Use Only</option> | |
426 </param> | |
427 <when value="All"> | |
428 </when> | |
429 <when value="No"> | |
430 </when> | |
431 <when value="UseOnly"> | |
432 <param name="ModificationFilterSequence" type="select" label="Sequence" multiple="true"> | |
433 <option value="Acetylation'ProtNTerm'">Acetylation'ProtNTerm'</option> | |
434 <option value="Carbamidomethyl'Cys'">Carbamidomethyl'Cys'</option> | |
435 <option value="Oxidation'Met'">Oxidation'Met'</option> | |
436 <option value="Phosphorylation'Ser'Thr'Tyr'">Phosphorylation'Ser'Thr'Tyr'</option> | |
437 <option value="Pyro_Glu'GluNterm'">Pyro_Glu'GluNterm'</option> | |
438 <option value="Pyro_Glu'GlnNterm'">Pyro_Glu'GlnNterm'</option> | |
439 </param> | |
440 </when> | |
441 </conditional> | |
442 <section name="AggregatePeptideChargeStatesParams" title="Aggregate Peptide Charge States Parameters"> | |
443 <conditional name="AggregatePeptideChargeStatesParamsCond"> | |
444 <param name="AggregatePeptideChargeStatesParamsEnabled" type="select" label="Specify Aggregate Peptide Charge States Parameters?"> | |
445 <option value="yes">Yes</option> | |
446 <option value="no" selected="true">No</option> | |
447 </param> | |
448 <when value="yes"> | |
449 <expand macro="AggregationParams" /> | |
450 </when> | |
451 <when value="no"> | |
452 </when> | |
453 </conditional> | |
454 </section> | |
455 <section name="AggregateModifiedPeptidesParams" title="Aggregate Modified Peptides Parameters"> | |
456 <conditional name="AggregateModifiedPeptidesParamsCond"> | |
457 <param name="AggregateModifiedPeptidesParamsEnabled" type="select" label="Specify Aggregate Modified Peptides Parameters?"> | |
458 <option value="yes">Yes</option> | |
459 <option value="no" selected="true">No</option> | |
460 </param> | |
461 <when value="yes"> | |
462 <expand macro="AggregationParams" /> | |
463 </when> | |
464 <when value="no"> | |
465 </when> | |
466 </conditional> | |
467 </section> | |
468 <section name="AggregateToProteinGroupsParams" title="Aggregate To Protein Groups Parameters"> | |
469 <expand macro="AggregationParams" /> | |
470 </section> | |
471 <param name="outputParamfile" type="boolean" value="false" label="Output parameter file"/> | |
472 </inputs> | |
473 <outputs> | |
474 <data format="tabular" name="out_labelFreeQuant" /> | |
475 <data format="json" name="out_paramfile"> | |
476 <filter>outputParamfile</filter> | |
477 </data> | |
478 </outputs> | |
479 <tests> | |
480 <test expect_num_outputs="1"> | |
481 <param name="proteinassignedquantpepions" value="sample.quantAndProt"/> | |
482 <conditional name="ModificationFilterCond"> | |
483 <param name="ModificationFilter" value="All"/> | |
484 </conditional> | |
485 <section name="AggregatePeptideChargeStatesParams"> | |
486 <conditional name="AggregatePeptideChargeStatesParamsCond"> | |
487 <param name="AggregateModifiedPeptidesParamsEnabled" value="no" /> | |
488 </conditional> | |
489 </section> | |
490 <section name="AggregateModifiedPeptidesParams"> | |
491 <conditional name="AggregateModifiedPeptidesParamsCond"> | |
492 <param name="AggregateModifiedPeptidesParamsEnabled" value="no"/> | |
493 </conditional> | |
494 </section> | |
495 <section name="AggregateToProteinGroupsParams"> | |
496 <section name="Transform"> | |
497 <conditional name="TransformLightCond"> | |
498 <param name="Type" value="None"/> | |
499 </conditional> | |
500 </section> | |
501 <section name="SingleFilters"> | |
502 <section name="Light"> | |
503 <param name="BiggerThan" value=""/> | |
504 <param name="SmallerThan" value=""/> | |
505 </section> | |
506 </section> | |
507 <section name="GroupFilters"> | |
508 <section name="Light"> | |
509 <param name="Tukey" value=""/> | |
510 <param name="Stdev" value=""/> | |
511 </section> | |
512 </section> | |
513 <section name="Aggregation"> | |
514 <param name="AggregationLight" value="Mean"/> | |
515 </section> | |
516 </section> | |
517 <param name="outputParamfile" value="false"/> | |
518 </test> | |
519 <test expect_num_outputs="2"> | |
520 <param name="proteinassignedquantpepions" value="sample.quantAndProt"/> | |
521 <conditional name="ModificationFilterCond"> | |
522 <param name="ModificationFilter" value="All"/> | |
523 </conditional> | |
524 <section name="AggregatePeptideChargeStatesParams"> | |
525 <conditional name="AggregatePeptideChargeStatesParamsCond"> | |
526 <param name="AggregateModifiedPeptidesParamsEnabled" value="no" /> | |
527 </conditional> | |
528 </section> | |
529 <section name="AggregateModifiedPeptidesParams"> | |
530 <conditional name="AggregateModifiedPeptidesParamsCond"> | |
531 <param name="AggregateModifiedPeptidesParamsEnabled" value="no"/> | |
532 </conditional> | |
533 </section> | |
534 <section name="AggregateToProteinGroupsParams"> | |
535 <section name="Transform"> | |
536 <conditional name="TransformLightCond"> | |
537 <param name="Type" value="None"/> | |
538 </conditional> | |
539 </section> | |
540 <section name="SingleFilters"> | |
541 <section name="Light"> | |
542 <param name="BiggerThan" value=""/> | |
543 <param name="SmallerThan" value=""/> | |
544 </section> | |
545 </section> | |
546 <section name="GroupFilters"> | |
547 <section name="Light"> | |
548 <param name="Tukey" value=""/> | |
549 <param name="Stdev" value=""/> | |
550 </section> | |
551 </section> | |
552 <section name="Aggregation"> | |
553 <param name="AggregationLight" value="Mean"/> | |
554 </section> | |
555 </section> | |
556 <param name="outputParamfile" value="true"/> | |
557 <output name="out_paramfile" file="result_1.json"/> | |
558 </test> | |
559 <test expect_num_outputs="2"> | |
560 <param name="proteinassignedquantpepions" value="sample.quantAndProt"/> | |
561 <conditional name="ModificationFilterCond"> | |
562 <param name="ModificationFilter" value="No"/> | |
563 </conditional> | |
564 <section name="AggregatePeptideChargeStatesParams"> | |
565 <conditional name="AggregatePeptideChargeStatesParamsCond"> | |
566 <param name="AggregatePeptideChargeStatesParamsEnabled" value="yes" /> | |
567 <section name="Transform"> | |
568 <conditional name="TransformLightCond"> | |
569 <param name="Type" value="Log2"/> | |
570 </conditional> | |
571 </section> | |
572 <section name="SingleFilters"> | |
573 <section name="Light"> | |
574 <param name="BiggerThan" value="1"/> | |
575 <param name="SmallerThan" value="2"/> | |
576 </section> | |
577 </section> | |
578 <section name="GroupFilters"> | |
579 <section name="Light"> | |
580 <param name="Tukey" value="1"/> | |
581 <param name="Stdev" value="2"/> | |
582 </section> | |
583 </section> | |
584 <section name="Aggregation"> | |
585 <param name="AggregationLight" value="Median"/> | |
586 </section> | |
587 </conditional> | |
588 </section> | |
589 <section name="AggregateModifiedPeptidesParams"> | |
590 <conditional name="AggregateModifiedPeptidesParamsCond"> | |
591 <param name="AggregateModifiedPeptidesParamsEnabled" value="yes"/> | |
592 <section name="Transform"> | |
593 <conditional name="TransformLightCond"> | |
594 <param name="Type" value="Log2"/> | |
595 </conditional> | |
596 </section> | |
597 <section name="SingleFilters"> | |
598 <section name="Light"> | |
599 <param name="BiggerThan" value="1"/> | |
600 <param name="SmallerThan" value="2"/> | |
601 </section> | |
602 </section> | |
603 <section name="GroupFilters"> | |
604 <section name="Light"> | |
605 <param name="Tukey" value="1"/> | |
606 <param name="Stdev" value="2"/> | |
607 </section> | |
608 </section> | |
609 <section name="Aggregation"> | |
610 <param name="AggregationLight" value="Median"/> | |
611 </section> | |
612 </conditional> | |
613 </section> | |
614 <section name="AggregateToProteinGroupsParams"> | |
615 <section name="Transform"> | |
616 <conditional name="TransformLightCond"> | |
617 <param name="Type" value="Log2"/> | |
618 </conditional> | |
619 </section> | |
620 <section name="SingleFilters"> | |
621 <section name="Light"> | |
622 <param name="BiggerThan" value="1"/> | |
623 <param name="SmallerThan" value="2"/> | |
624 </section> | |
625 </section> | |
626 <section name="GroupFilters"> | |
627 <section name="Light"> | |
628 <param name="Tukey" value="1"/> | |
629 <param name="Stdev" value="2"/> | |
630 </section> | |
631 </section> | |
632 <section name="Aggregation"> | |
633 <param name="AggregationLight" value="Median"/> | |
634 </section> | |
635 </section> | |
636 <param name="outputParamfile" value="true"/> | |
637 <output name="out_paramfile" file="result_2.json"/> | |
638 </test> | |
639 <test expect_num_outputs="2"> | |
640 <param name="proteinassignedquantpepions" value="sample.quantAndProt"/> | |
641 <conditional name="ModificationFilterCond"> | |
642 <param name="ModificationFilter" value="UseOnly"/> | |
643 <param name="ModificationFilterSequence" value="Acetylation'ProtNTerm',Carbamidomethyl'Cys',Oxidation'Met',Phosphorylation'Ser'Thr'Tyr',Pyro_Glu'GluNterm',Pyro_Glu'GlnNterm'"/> | |
644 </conditional> | |
645 <section name="AggregatePeptideChargeStatesParams"> | |
646 <conditional name="AggregatePeptideChargeStatesParamsCond"> | |
647 <param name="AggregatePeptideChargeStatesParamsEnabled" value="yes" /> | |
648 <section name="Transform"> | |
649 <conditional name="TransformLightCond"> | |
650 <param name="Type" value="Substract"/> | |
651 <param name="Value" value="2"/> | |
652 </conditional> | |
653 </section> | |
654 <section name="SingleFilters"> | |
655 <section name="Light"> | |
656 <param name="BiggerThan" value="1"/> | |
657 <param name="SmallerThan" value=""/> | |
658 </section> | |
659 </section> | |
660 <section name="GroupFilters"> | |
661 <section name="Light"> | |
662 <param name="Tukey" value=""/> | |
663 <param name="Stdev" value="2"/> | |
664 </section> | |
665 </section> | |
666 <section name="Aggregation"> | |
667 <param name="AggregationLight" value="Median"/> | |
668 </section> | |
669 </conditional> | |
670 </section> | |
671 <section name="AggregateModifiedPeptidesParams"> | |
672 <conditional name="AggregateModifiedPeptidesParamsCond"> | |
673 <param name="AggregateModifiedPeptidesParamsEnabled" value="yes"/> | |
674 <section name="Transform"> | |
675 <conditional name="TransformLightCond"> | |
676 <param name="Type" value="Add"/> | |
677 <param name="Value" value="2"/> | |
678 </conditional> | |
679 </section> | |
680 <section name="SingleFilters"> | |
681 <section name="Light"> | |
682 <param name="BiggerThan" value=""/> | |
683 <param name="SmallerThan" value="2"/> | |
684 </section> | |
685 </section> | |
686 <section name="GroupFilters"> | |
687 <section name="Light"> | |
688 <param name="Tukey" value="1"/> | |
689 <param name="Stdev" value=""/> | |
690 </section> | |
691 </section> | |
692 <section name="Aggregation"> | |
693 <param name="AggregationLight" value="Sum"/> | |
694 </section> | |
695 </conditional> | |
696 </section> | |
697 <section name="AggregateToProteinGroupsParams"> | |
698 <section name="Transform"> | |
699 <conditional name="TransformLightCond"> | |
700 <param name="Type" value="DivideBy"/> | |
701 <param name="Value" value="2"/> | |
702 </conditional> | |
703 </section> | |
704 <section name="SingleFilters"> | |
705 <section name="Light"> | |
706 <param name="BiggerThan" value=""/> | |
707 <param name="SmallerThan" value=""/> | |
708 </section> | |
709 </section> | |
710 <section name="GroupFilters"> | |
711 <section name="Light"> | |
712 <param name="Tukey" value=""/> | |
713 <param name="Stdev" value=""/> | |
714 </section> | |
715 </section> | |
716 <section name="Aggregation"> | |
717 <param name="AggregationLight" value="Mean"/> | |
718 </section> | |
719 </section> | |
720 <param name="outputParamfile" value="true"/> | |
721 <output name="out_paramfile" file="result_3.json"/> | |
722 </test> | |
723 </tests> | |
724 <help> | |
725 <![CDATA[ | |
726 What It Does | |
727 ------------ | |
728 **Disclaimer** this tool needs a quantAndProt file, which combines the results from ProteinInference and PSMBasedQuantification. | |
729 | |
730 After quantification and protein inference are performed, it is known which peptide originated from which protein, as well as the intensity of each peptide. | |
731 The information available for each peptide now needs to be aggragated for their proteins. | |
732 | |
733 This tool performs the aggregation from the peptides to the protein in several steps. The first two aggregation steps are optional. One of them is the aggregation | |
734 based on charge state. Peptides with the same sequence and modifications, but different charge states are being aggregated. The next optional step does the same | |
735 for peptides with the same sequence, but different modifications. Those steps build upon each other. The last step is the aggregation of all peptides of a protein. | |
736 The result of each aggregation step is given as a tab separated file. The aggregation is performed according to the given parameters for each step. | |
737 If an optional aggregation is not performed, the next step takes the result from the prior aggregation. For example, if aggregation by charge and modification are | |
738 skipped, the protein aggregation is performed on previously unaggregated peptides, where a peptidesequence can occur with different charge states and modifications. | |
739 | |
740 Further Reading | |
741 --------------- | |
742 Additional information about the tool can be found in the `documentation <https://csbiology.github.io/ProteomIQon/tools/LabelFreeProteinQuantification.html>`_. | |
743 ]]> | |
744 </help> | |
745 </tool> |