Mercurial > repos > galaxyp > diapysef
annotate diapysef.xml @ 0:8eed818f5d48 draft default tip
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
author | galaxyp |
---|---|
date | Fri, 06 Mar 2020 07:16:26 -0500 |
parents | |
children |
rev | line source |
---|---|
0
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
1 <tool id="diapysef" name="diapysef library generation" version="0.3.5.0"> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
2 <description>generates spectral library for DIA analysis</description> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
3 <requirements> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
4 <requirement type="package" version="0.3.5">diapysef</requirement> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
5 <requirement type="package" version="1.0.1">pandas</requirement> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
6 </requirements> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
7 <command detect_errors="aggressive"> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
8 <![CDATA[ |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
9 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
10 python '${diapysef_script}' |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
11 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
12 ]]> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
13 </command> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
14 <configfiles> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
15 <configfile name="diapysef_script"><![CDATA[ |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
16 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
17 import diapysef as dp |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
18 import pandas as pd |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
19 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
20 msms = pd.read_csv("$input_msms", sep="\t") |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
21 evidence = pd.read_csv("$input_evidence", sep="\t") |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
22 irt = pd.read_csv("$input_irtassays", sep="\t") |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
23 ptsv = dp.pasef_to_tsv(evidence, msms, irt_file=irt, ion_mobility=None, rt_alignment="$alignment") |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
24 ptsv.to_csv("$output_tabular", sep="\t", index=False) |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
25 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
26 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
27 ]]></configfile> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
28 </configfiles> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
29 <inputs> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
30 <param name="input_msms" type="data" format="tabular" label="MaxQuant output file msms.txt" help="" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
31 <param name="input_evidence" type="data" format="tabular" label="MaxQuant output file evidence.txt" help="" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
32 <param name="input_irtassays" type="data" format="tabular" label="Retention time alignment peptides" help="tabular file containing peptides for the alignment, e.g. iRTs or ciRTs" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
33 <param name="alignment" type="select" display="radio" label="RT alignment method" help="" > |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
34 <option value="linear" selected="True">linear</option> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
35 <option value="nonlinear">lowess</option> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
36 </param> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
37 </inputs> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
38 <outputs> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
39 <data name="output_tabular" format="tabular" label="${tool.name} on ${on_string}: spectral library" from_work_dir="mqout.tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
40 <data name="output_pdf" format="pdf" label="${tool.name} on ${on_string}: RT calibration curves" from_work_dir="rtcalibration.pdf" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
41 </outputs> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
42 <tests> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
43 <test> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
44 <param name="input_msms" value="msms_cut.tabular" ftype="tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
45 <param name="input_evidence" value="evidence_cut.tabular" ftype="tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
46 <param name="input_irtassays" value="irtassays.tabular" ftype="tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
47 <param name="alignment" value="linear" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
48 <output name="output_pdf" file="rtcalibration1.pdf" compare="sim_size"/> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
49 </test> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
50 <test> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
51 <param name="input_msms" value="msms_cut.tabular" ftype="tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
52 <param name="input_evidence" value="evidence_cut.tabular" ftype="tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
53 <param name="input_irtassays" value="irtassays.tabular" ftype="tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
54 <param name="alignment" value="nonlinear" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
55 <output name="output_pdf" file="rtcalibration2.pdf" compare="sim_size"/> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
56 </test> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
57 <test> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
58 <param name="input_msms" value="msms_cut.tabular" ftype="tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
59 <param name="input_evidence" value="evidence_cut.tabular" ftype="tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
60 <param name="input_irtassays" value="irtassays.tabular" ftype="tabular" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
61 <param name="alignment" value="nonlinear" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
62 <output name="output_tabular" > |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
63 <assert_contents> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
64 <has_text text="transition_group_id" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
65 <has_text text="LibraryIntensity" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
66 <has_text text="(Acetylation)DGLDAASYYAPVR" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
67 <has_text text="sp|Biognosys_pep-h|iRT-Kit_WR_fusion" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
68 <has_text text="sp|Biognosys_pep-k|iRT-Kit_WR_fusion" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
69 <has_n_columns n="11" /> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
70 </assert_contents> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
71 </output> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
72 </test> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
73 </tests> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
74 <help> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
75 <![CDATA[ |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
76 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
77 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
78 Diapysef enables generating a DIA library. For more information: http://openswath.org/en/latest/docs/librarygeneration.html |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
79 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
80 For most data-independent acquisition (DIA) analysis, a well-represented spectral library is required for precursors, peptide, and protein identifications. Currently, we support library generation with the diapysef package directly from a MaxQuant analysis of several DDA runs. |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
81 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
82 **Inputs** |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
83 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
84 - msms.txt and evidence.txt (output files from MaxQuant) |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
85 - peptides used for retention time alignment e.g. iRTs or ciRTs |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
86 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
87 - Tabular file with at least three columns for precursor charge, normalized retention time and modified peptide sequence |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
88 - The headers of the columns must be named "PrecursorCharge" "NormalizedRetentionTime" "ModifiedPeptideSequence" |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
89 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
90 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
91 :: |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
92 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
93 PrecursorCharge NormalizedRetentionTime ModifiedPeptideSequence |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
94 2 53.2 ADVTPADFSEWSK |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
95 3 52.9 ADVTPADFSEWSK |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
96 2 43.6 DGLDAASYYAPVR |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
97 ... |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
98 ... |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
99 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
100 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
101 **Potential next Steps** |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
102 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
103 After generating the spectral library with diapysef, the tabular file can be imported into OpenSwathAssayGenerator and OpenSwathDecoyGenerator to refine the library. |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
104 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
105 |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
106 ]]> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
107 </help> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
108 <citations> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
109 <citation type="doi">10.1038/nbt.2841</citation> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
110 </citations> |
8eed818f5d48
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/diapysef commit d4b6dd6bf42d2e8faa335bcd77b681938e56a9e4"
galaxyp
parents:
diff
changeset
|
111 </tool> |