Mercurial > repos > jjohnson > spectrast
annotate macros.xml @ 3:7f02fc51bddf draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
| author | jjohnson |
|---|---|
| date | Wed, 25 Jul 2018 10:58:17 -0400 |
| parents | 4e23dcad9087 |
| children | c9bfe6adb7cd |
| rev | line source |
|---|---|
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4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
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changeset
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1 <macros> |
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4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
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2 <token name="@VERSION@">5.0.0</token> |
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4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
diff
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3 <xml name="requirements"> |
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4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
diff
changeset
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4 <requirements> |
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4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
diff
changeset
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5 <requirement type="package" version="5.0.0">tpp</requirement> |
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4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
diff
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6 <yield/> |
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4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
diff
changeset
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7 </requirements> |
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4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
diff
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8 </xml> |
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3
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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9 <token name="@LIBRARY_CREATE_OPTIONS@"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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10 outputFileName = ${output.extra_files_path}/library.splib |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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11 #if $library_create.removeDecoyProteins is not None: |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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12 removeDecoyProteins = $library_create.removeDecoyProteins |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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13 #end if |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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14 #if str($library_create.useProbTable) != 'None': |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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15 useProbTable = $library_create.useProbTable |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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16 #end if |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
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17 #if str($library_create.useProteinList) != 'None': |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
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18 useProteinList = $library_create.useProteinList |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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19 #end if |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
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20 #if str($library_create.printMRMTable) != 'None': |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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21 printMRMTable = |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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22 #end if |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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23 #if str($library_create.writeMgfFile) != 'None': |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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24 writeMgfFile = $library_create.writeMgfFile |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
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25 #end if |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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26 ## #if str($library_create.writeDtaFiles) != 'None': |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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27 ## writeDtaFiles = $library_create.writeDtaFiles |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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28 ## #end if |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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29 #if str($library_create.writePAIdent) != 'None': |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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30 writePAIdent = $library_create.writePAIdent |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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31 #end if |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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32 </token> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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33 <xml name="library_create_outputs"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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34 <data name="library_pai" format="tabular" label="library.pai" from_work_dir="outdir/library.pai"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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35 <filter>library_create['writePAIdent'] == 'true'</filter> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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36 </data> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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37 <data name="library_mrm" format="tabular" label="library.mrm" from_work_dir="outdir/library.mrm"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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38 <filter>library_create['printMRMTable'] == 'true'</filter> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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39 </data> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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40 <data name="library_mgf" format="mgf" label="library.mgf" from_work_dir="outdir/library.mgf"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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41 <filter>library_create['writeMgfFile'] == 'true'</filter> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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42 </data> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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43 <!-- |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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44 <data name="library_mgf" format="dta" label="library.mgf" from_work_dir="outdir/library.mrm"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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45 <filter>library_create['writeDtaFiles'] == 'true'</filter> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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46 </data> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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47 --> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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48 </xml> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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49 <xml name="library_create_options"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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50 <section name="library_create" expanded="false" title="Library Create Options"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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51 <param name="removeDecoyProteins" type="text" value="" optional="true" label="removeDecoyProteins Default: true" > |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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52 <help> Remove spectra of decoys, for which proteins have names starting with this prefix. Also remove decoy proteins from Protein field for peptides mapped to both target and decoy sequences. |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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53 </help> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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54 </param> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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55 |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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56 <param name="useProbTable" type="data" format="tabular" optional="true" label="Peptide ion probability table"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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57 <help><![CDATA[ |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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58 Only those peptide ions included in the table will be imported, and their probability adjusted optionally. |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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59 A probability table is a text file with one peptide ion in the format AC[160]DEFGHIK/2 per line. If a probability is supplied following the peptide ion separated by a tab, it will be used to replace the original probability of that library entry. |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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60 ]]></help> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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61 </param> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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62 <param name="useProteinList" type="data" format="tabular" optional="true" label="Protein list"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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63 <help><![CDATA[ |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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64 Only those peptide ions associated with proteins in the list will be imported. |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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65 A protein list is a text file with one protein identifier per line. |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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66 If a number X is supplied following the protein separated by a tab, |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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67 then at most X peptide ions associated with that protein will be imported. |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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68 Peptides with more replicates are favored. |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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69 ]]></help> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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70 </param> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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71 <param name="printMRMTable" type="select" optional="true" label="printMRMTable Default: false" > |
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72 <help> Write library in binary format, which enables quicker search. |
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73 </help> |
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74 <option value="false">false</option> |
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75 <option value="true">true</option> |
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76 </param> |
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77 <param name="writeMgfFile" type="select" optional="true" label="writeMgfFile Default: false" > |
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78 <help> Write all library spectra as one .mgf file |
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79 </help> |
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80 <option value="false">false</option> |
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81 <option value="true">true</option> |
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82 </param> |
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83 <!-- |
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84 <param name="writeDtaFiles" type="select" optional="true" label="writeDtaFiles Default: false" > |
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85 <help> Write library in binary format, which enables quicker search. |
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86 </help> |
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87 <option value="false">false</option> |
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88 <option value="true">true</option> |
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89 </param> |
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90 --> |
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91 <param name="writePAIdent" type="select" optional="true" label="writePAIdent Default: false" > |
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92 <help> |
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93 </help> |
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94 <option value="false">false</option> |
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95 <option value="true">true</option> |
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96 </param> |
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97 </section> |
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98 </xml> |
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99 <token name="@LIBRARY_IMPORT_OPTIONS@"> |
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100 #if $library_import.minimumProbabilityToInclude is not None: |
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101 minimumProbabilityToInclude = $library_import.minimumProbabilityToInclude |
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102 #end if |
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103 #if $library_import.maximumFDRToInclude is not None: |
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104 maximumFDRToInclude = $library_import.maximumFDRToInclude |
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105 #end if |
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106 #if $library_import.setFragmentation is not None: |
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107 setFragmentation = $library_import.setFragmentation |
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108 #end if |
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109 #if $library_import.setDeamidatedNXST is not None: |
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110 setDeamidatedNXST = $library_import.setDeamidatedNXST |
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111 #end if |
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112 #if $library_import.addMzXMLFileToDatasetName is not None: |
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113 addMzXMLFileToDatasetName = $library_import.addMzXMLFileToDatasetName |
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114 #end if |
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115 #if $library_import.centroidPeaks is not None: |
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116 centroidPeaks = $library_import.centroidPeaks |
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117 #end if |
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118 #if $library_import.rawSpectraNoiseThreshold is not None: |
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119 rawSpectraNoiseThreshold = $library_import.rawSpectraNoiseThreshold |
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120 #end if |
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121 #if $library_import.rawSpectraMaxDynamicRange is not None: |
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122 rawSpectraMaxDynamicRange = $library_import.rawSpectraMaxDynamicRange |
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123 #end if |
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124 #if $library_import.minimumNumAAToInclude is not None: |
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125 minimumNumAAToInclude = $library_import.minimumNumAAToInclude |
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126 #end if |
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127 #if $library_import.minimumNumPeaksToInclude is not None: |
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128 minimumNumPeaksToInclude = $library_import.minimumNumPeaksToInclude |
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129 #end if |
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130 #if $library_import.skipRawAnnotation is not None: |
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131 skipRawAnnotation = $library_import.skipRawAnnotation |
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132 #end if |
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133 #if $library_import.minimumDeltaCnToInclude is not None: |
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134 minimumDeltaCnToInclude = $library_import.minimumDeltaCnToInclude |
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135 #end if |
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136 #if $library_import.maximumMassDiffToInclude is not None: |
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137 maximumMassDiffToInclude = $library_import.maximumMassDiffToInclude |
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138 #end if |
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139 #if $library_import.bracketSpectra is not None: |
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140 bracketSpectra = $library_import.bracketSpectra |
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141 #end if |
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142 #if $library_import.mergeBracket is not None: |
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143 mergeBracket = $library_import.mergeBracket |
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144 #end if |
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145 #if str($library_import.normalizeRTWithLandmarks) != 'None': |
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146 normalizeRTWithLandmarks = $library_import.normalizeRTWithLandmarks |
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147 #end if |
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148 #if $library_import.normalizeRTLinearRegression is not None: |
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149 normalizeRTLinearRegression = $library_import.normalizeRTLinearRegression |
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150 #end if |
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151 </token> |
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152 <xml name="library_import_options"> |
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153 <section name="library_import" expanded="false" title="Library Import Options"> |
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154 <param name="minimumProbabilityToInclude" type="float" value="" min="0.0" max="1.0" optional="true" |
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155 label="minimumProbabilityToInclude" |
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156 help="Include all spectra identified with probability no less than this in the library. Default is 0.9"/> |
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157 <param name="maximumFDRToInclude" type="float" value="" min="0.0" optional="true" |
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158 label="maximumFDRToInclude for pepXML import" |
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159 help="(Only for pepXML import) Include spectra with global FDR no greater than this in the library. Default is 999.0"/> |
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160 <param name="setFragmentation" type="select" label="Set the fragmentation type of all spectra, overriding existing information"> |
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161 <option value="dataset" selected="true">Search Single Spectrum file and output results as a dataset</option> |
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162 <option value="collection">Search Multiple Spectrum files and output results as a collection</option> |
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163 </param> |
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164 <param name="setFragmentation" type="select" optional="true" label="Set the fragmentation type of all spectra, overriding existing information" > |
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165 <help>Default is off (determined from the data files). |
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166 Examples: CID, ETD, CID-QTOF, HCD. The latter two are treated as high-mass accuracy spectra. |
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167 </help> |
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168 <option value="ETD">ETD spectra</option> |
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169 <option value="CID-QTOF">CID-QTOF spectra</option> |
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170 <option value="HCD">HCD spectra</option> |
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171 </param> |
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172 <param name="setDeamidatedNXST" type="select" optional="true" label="setDeamidatedNXST Default: false" > |
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173 <help> Set all asparagines (N) in the motif NX(S/T) as deamidated (N[115]), |
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174 and all asparagines not in the motif NX(S/T) as unmodified. |
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175 Use for glycocaptured peptides. |
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176 </help> |
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177 <option value="false">false</option> |
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178 <option value="true">true</option> |
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179 </param> |
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180 <param name="addMzXMLFileToDatasetName" type="select" optional="true" label="addMzXMLFileToDatasetName Default: false" > |
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181 <help> Add the originating mzXML file name to the dataset identifier. |
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182 Good for keeping track of the MS run in which the peptide is observed. |
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183 </help> |
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184 <option value="false">false</option> |
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185 <option value="true">true</option> |
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186 </param> |
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187 <param name="centroidPeaks" type="select" optional="true" label="centroidPeaks Default: false" > |
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188 <help> Centroid peaks as raw spectra are imported. |
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189 Designed mostly for Q-TOF spectra in profile mode. |
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190 </help> |
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191 <option value="false">false</option> |
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192 <option value="true">true</option> |
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193 </param> |
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194 <param name="rawSpectraNoiseThreshold" type="float" value="" min="0.0" optional="true" |
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195 label="rawSpectraNoiseThreshold" |
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196 help="Absolute noise filter. Remove noise peaks with intensity below this in imported spectra. Default is 0.0"/> |
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197 <param name="rawSpectraMaxDynamicRange" type="float" value="" min="1.0" optional="true" |
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198 label="rawSpectraMaxDynamicRange" |
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199 help="Relative noise filter. Filter out noise peaks with intensity below 1/range of that of the highest peak. Default is 100000.0"/> |
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200 <param name="minimumNumAAToInclude" type="integer" value="" optional="true" min="1" |
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201 label="minimumNumAAToInclude" |
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202 help="Exclude spectra of peptide IDs shorter than this number of amino acids. Default is 6"/> |
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203 <param name="minimumNumPeaksToInclude" type="integer" value="" optional="true" min="1" |
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204 label="minimumNumPeaksToInclude" |
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205 help="Exclude spectra with fewer than this number of peaks. Default is 10"/> |
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206 <param name="skipRawAnnotation" type="select" optional="true" label="skipRawAnnotation Default: false" > |
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207 <help> Skip the annotation of raw spectra as they are imported. |
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208 Annotation is quite slow and might be impractical if the number of imported spectra is enormous. |
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209 </help> |
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210 <option value="false">false</option> |
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211 <option value="true">true</option> |
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212 </param> |
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213 <param name="minimumDeltaCnToInclude" type="float" value="" min="0.0" optional="true" |
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214 label="minimumDeltaCnToInclude" |
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215 help="(Only for pepXML import) Exclude spectra with deltaCn smaller than this. Useful for excluding spectra with indiscriminate modification sites. Default is 0.0"/> |
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216 <param name="maximumMassDiffToInclude" type="float" value="" min="0.0" optional="true" |
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217 label="maximumMassDiffToInclude" |
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218 help="(Only for pepXML import) Exclude spectra with precursor mass difference (absolute value) greater than this numbers of Daltons. Default is 9999.0"/> |
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219 <param name="bracketSpectra" type="select" optional="true" label="bracketSpectra Default: false" > |
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220 <help> (Only for pepXML import) |
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221 Bracket import: for each confident ID, also search neighboring scans for repeated scans to import. |
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222 </help> |
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223 <option value="false">false</option> |
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224 <option value="true">true</option> |
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225 </param> |
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226 <param name="mergeBracket" type="select" optional="true" label="mergeBracket Default: false" > |
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227 <help> (Only for pepXML import) |
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228 Merge bracketed spectra: merge repeated scans of a bracket into one consensus spectrum for import. |
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229 </help> |
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230 <option value="false">false</option> |
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231 <option value="true">true</option> |
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232 </param> |
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233 <param name="normalizeRTWithLandmarks" type="data" format="tabular" optional="true" |
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234 label="normalizeRTWithLandmarks Use landmark peptides to normalize retention times to iRTs." |
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235 help="A TAB-delimited table with two columns: peptide sequence and iRT" /> |
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236 <param name="normalizeRTLinearRegression" type="select" optional="true" label="normalizeRTLinearRegression Default: false" > |
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237 <help> Regress the real RTs of landmark peptides (i.e. assume they form a straight line). |
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238 </help> |
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239 <option value="false">false</option> |
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240 <option value="true">true</option> |
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241 </param> |
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242 </section> |
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243 </xml> |
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244 |
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245 <token name="@LIBRARY_MANIPULATION_OPTIONS@"> |
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246 #if $library_manipulation.filterCriteria is not None: |
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247 filterCriteria = $library_manipulation.filterCriteria |
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248 #end if |
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249 #if $library_manipulation.combineAction is not None: |
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250 combineAction = $library_manipulation.combineAction |
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251 #end if |
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252 #if $library_manipulation.build.buildAction != 'NONE': |
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253 buildAction = $library_manipulation.build.buildAction |
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254 #if $library_manipulation.build.buildAction in ['BEST_REPLICATE','CONSENSUS']: |
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255 #if $library_manipulation.build.build_bc_action.minimumNumReplicates is not None: |
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256 minimumNumReplicates = $library_manipulation.build.build_bc_action.minimumNumReplicates |
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257 #end if |
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258 #if $library_manipulation.build.build_bc_action.removeDissimilarReplicates is not None: |
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259 removeDissimilarReplicates = $library_manipulation.build.build_bc_action.removeDissimilarReplicates |
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260 #end if |
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261 #if $library_manipulation.build.build_bc_action.peakQuorum is not None: |
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262 peakQuorum = $library_manipulation.build.build_bc_action.peakQuorum |
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263 #end if |
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264 #if $library_manipulation.build.build_bc_action.maximumNumPeaksUsed is not None: |
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265 maximumNumPeaksUsed = $library_manipulation.build.build_bc_action.maximumNumPeaksUsed |
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266 #end if |
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267 #if $library_manipulation.build.build_bc_action.maximumNumReplicates is not None: |
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268 maximumNumReplicates = $library_manipulation.build.build_bc_action.maximumNumReplicates |
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269 #end if |
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270 #if $library_manipulation.build.build_bc_action.maximumNumPeaksKept is not None: |
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271 maximumNumPeaksKept = $library_manipulation.build.build_bc_action.maximumNumPeaksKept |
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272 #end if |
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273 #if $library_manipulation.build.build_bc_action.replicateWeight is not None: |
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274 replicateWeight = $library_manipulation.build.build_bc_action.replicateWeight |
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275 #end if |
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276 #if $library_manipulation.build.build_bc_action.recordRawSpectra is not None: |
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277 recordRawSpectra = $library_manipulation.build.build_bc_action.recordRawSpectra |
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278 #end if |
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279 #end if |
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280 #if $library_manipulation.build.buildAction == 'DECOY': |
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281 #if $library_manipulation.build.build_d_action.decoyConcatenate is not None: |
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282 decoyConcatenate = $library_manipulation.build.build_d_action.decoyConcatenate |
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283 #end if |
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284 #if $library_manipulation.build.build_d_action.decoySizeRatio is not None: |
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285 decoySizeRatio = $library_manipulation.build.build_d_action.decoySizeRatio |
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286 #end if |
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287 #if $library_manipulation.build.build_d_action.decoyPrecursorSwap is not None: |
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288 decoyPrecursorSwap = $library_manipulation.build.build_d_action.decoyPrecursorSwap |
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289 #end if |
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290 #end if |
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291 #if $library_manipulation.build.buildAction == 'USER_SPECIFIED_MODS': |
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292 #if $library_manipulation.build.build_m_action.allowableModTokens is not None: |
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293 allowableModTokens = $library_manipulation.build.build_m_action.allowableModTokens |
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294 #end if |
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295 #end if |
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296 #if $library_manipulation.build.buildAction == 'QUALITY_FILTER': |
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297 #if $library_manipulation.build.build_q_action.minimumNumReplicates is not None: |
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298 minimumNumReplicates = $library_manipulation.build.build_q_action.minimumNumReplicates |
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299 #end if |
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300 #if $library_manipulation.build.build_q_action.qualityLevelRemove is not None: |
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301 qualityLevelRemove = $library_manipulation.build.build_q_action.qualityLevelRemove |
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302 #end if |
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303 #if $library_manipulation.build.build_q_action.qualityLevelMark is not None: |
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304 qualityLevelMark = $library_manipulation.build.build_q_action.qualityLevelMark |
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305 #end if |
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306 #if $library_manipulation.build.build_q_action.qualityPenalizeSingletons is not None: |
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307 qualityPenalizeSingletons = $library_manipulation.build.build_q_action.qualityPenalizeSingletons |
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308 #end if |
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309 #if $library_manipulation.build.build_q_action.qualityImmuneProbThreshold is not None: |
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310 qualityImmuneProbThreshold = $library_manipulation.build.build_q_action.qualityImmuneProbThreshold |
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311 #end if |
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312 #if $library_manipulation.build.build_q_action.qualityImmuneMultipleEngines is not None: |
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313 qualityImmuneMultipleEngines = $library_manipulation.build.build_q_action.qualityImmuneMultipleEngines |
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314 #end if |
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315 #end if |
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316 #end if |
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317 #if $library_manipulation.reduceSpectra is not None: |
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318 reduceSpectra = $library_manipulation.reduceSpectra |
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319 #end if |
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320 #if $library_manipulation.minimumNumPeaksToInclude is not None: |
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321 minimumNumPeaksToInclude = $library_manipulation.minimumNumPeaksToInclude |
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322 #end if |
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323 #if $library_manipulation.minimumMRMQ3MZ is not None: |
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324 minimumMRMQ3MZ = $library_manipulation.minimumMRMQ3MZ |
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325 #end if |
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326 #if $library_manipulation.maximumMRMQ3MZ is not None: |
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327 maximumMRMQ3MZ = $library_manipulation.maximumMRMQ3MZ |
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328 #end if |
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329 #if $library_manipulation.db.refresh == 'yes': |
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330 refreshDatabase = $library_manipulation.db.refreshDatabase |
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331 #if $library_manipulation.db.refreshDeleteUnmapped is not None: |
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332 refreshDeleteUnmapped = $library_manipulation.db.refreshDeleteUnmapped |
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333 #end if |
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334 #if $library_manipulation.db.refreshDeleteMultimapped is not None: |
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335 refreshDeleteMultimapped = $library_manipulation.db.refreshDeleteMultimapped |
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336 #end if |
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337 #if $library_manipulation.db.refreshTrypticOnly is not None: |
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338 refreshTrypticOnly = $library_manipulation.db.refreshTrypticOnly |
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339 #end if |
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340 #end if |
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341 </token> |
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342 <xml name="library_build_bc_opts"> |
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343 <section name="build_bc_action" expanded="false" title="Consensus/Best-Replicate Library Creation Build Options"> |
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344 <param name="minimumNumReplicates" type="integer" value="" optional="true" min="1" |
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345 label="minimumNumReplicates" |
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346 help="Minimum number of replicates required for each library entry. Peptide ions with fewer than this numer of replicates will be excluded from library when creating consensus library. Default is 1"/> |
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347 <param name="removeDissimilarReplicates" type="select" optional="true" label="removeDissimilarReplicates Default: true" > |
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348 <help> Remove dissimilar replicates before creating consensus spectrum. |
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349 </help> |
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350 <option value="false">false</option> |
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351 <option value="true">true</option> |
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352 </param> |
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353 <param name="peakQuorum" type="float" value="" min="0.0" max="1.0" optional="true" |
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354 label="peakQuorum" |
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355 help="Specify peak quorum: the fraction of all replicates required to contain a certain peak. Peaks not present in enough replicates will be deleted. Default is 0.6"/> |
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356 <param name="maximumNumPeaksUsed" type="integer" value="" optional="true" min="1" |
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357 label="maximumNumPeaksUsed" |
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358 help="Maximum number of peaks in each replicate to be considered in creating consensus. Only the most intense number of peaks by intensity will be considered. Default is 300"/> |
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359 <param name="maximumNumReplicates" type="integer" value="" optional="true" min="1" |
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360 label="maximumNumReplicates" |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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361 help="Maximum number of replicates used to build consensus spectrum. Default is 100"/> |
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362 <param name="maximumNumPeaksKept" type="integer" value="" optional="true" min="1" |
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363 label="maximumNumPeaksKept" |
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364 help="De-noise single spectra by keeping only this number of the most intense peaks. Will not affect consensus spectra of more than one replicate. Default is 150"/> |
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365 <param name="replicateWeight" type="select" optional="true" label="replicateWeight Default: signal-to-noise ratio" > |
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366 <help> How to combine peptides from multiple files |
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367 </help> |
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368 <option value="NONE">NONE</option> |
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369 <option value="SN">Use a measure of signal-to-noise ratio as the weight.</option> |
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370 <option value="XCORR">Use a function of the SEQUEST xcorr score as the weight.</option> |
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371 <option value="PROB">Use a function of the PeptideProphet probability as the weight.</option> |
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372 <option value="INTP">Use the sqrt of precursor intensity</option> |
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373 </param> |
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374 <param name="recordRawSpectra" type="select" optional="true" label="recordRawSpectra Default: false" > |
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375 <help> Record all raw spectra (in the format file.scan.scan) used in build the consensus in the Comment line. |
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376 </help> |
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377 <option value="false">false</option> |
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378 <option value="true">true</option> |
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379 </param> |
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380 </section> |
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381 </xml> |
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382 <xml name="library_build_d_opts"> |
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383 <section name="build_d_action" expanded="false" title="Decoy Library Creation Build Options"> |
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384 <param name="decoyConcatenate" type="select" optional="true" label="decoyConcatenate Default: false" > |
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385 <help> Concatenate real and decoy libraries. Default is false: library consisting of only decoy spectra is created. |
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386 </help> |
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387 <option value="false">false</option> |
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388 <option value="true">true</option> |
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389 </param> |
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390 <param name="decoySizeRatio" type="integer" value="" optional="true" min="1" |
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391 label="decoySizeRatio" |
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392 help="Specify the (decoy / real) size ratio. Default is 1"/> |
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393 <param name="decoyPrecursorSwap" type="select" optional="true" label="decoyPrecursorSwap Default: false" > |
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394 <help> Use a modified form of the precursor swap method for generating decoys. |
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395 </help> |
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396 <option value="false">false</option> |
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397 <option value="true">true</option> |
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398 </param> |
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399 </section> |
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400 </xml> |
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401 <xml name="library_build_m_opts"> |
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402 <section name="build_m_action" expanded="false" title="Usr Mods Library Creation Build Options"> |
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403 <param name="allowableModTokens" type="text" value="" optional="true" label="allowableModTokens"> |
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404 <help><![CDATA[ |
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405 Specify the set(s) of modifications allowed in semi-empirical spectrum generation. |
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406 ]]></help> |
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407 </param> |
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408 </section> |
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409 </xml> |
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410 <xml name="quality_level_opts"> |
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411 <option value="0">0: No filter.</option> |
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412 <option value="1">1: Remove/mark impure spectra.</option> |
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413 <option value="2">2: Also remove/mark spectra with a spectrally similar counterpart in the library that is better.</option> |
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414 <option value="3">3: Also remove/mark inquorate entries (defined with minimumNumReplicates) that share no peptide sub-sequences with any other entries in the library. </option> |
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415 <option value="4">4: Also remove/mark all singleton entries.</option> |
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416 <option value="5">5: Also remove/mark all inquorate entries (defined with minimumNumReplicates).</option> |
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417 </xml> |
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418 <xml name="library_build_q_opts"> |
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419 <section name="build_q_action" expanded="false" title="Quality Filter Library Creation Build Options"> |
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420 <param name="minimumNumReplicates" type="integer" value="" optional="true" min="1" |
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421 label="minimumNumReplicates" |
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422 help="Replicate quorum. Its value affects behavior of quality filter. Default is 1"/> |
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423 <param name="qualityLevelRemove" type="select" optional="true" label="qualityLevelRemove Default: 2" > |
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424 <help> Specify the removal stringency of the quality filter |
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425 </help> |
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426 <expand macro="quality_level_opts"/> |
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427 </param> |
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428 <param name="qualityLevelMark" type="select" optional="true" label="qualityLevelMark Default: 5" > |
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429 <help> Specify the removal stringency of the quality filter |
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430 </help> |
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431 <expand macro="quality_level_opts"/> |
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432 </param> |
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433 <param name="qualityPenalizeSingletons" type="select" optional="true" label="qualityPenalizeSingletons Default: true" > |
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434 <help> Apply stricter thresholds to singleton spectra during quality filters. |
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435 </help> |
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436 <option value="false">false</option> |
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437 <option value="true">true</option> |
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438 </param> |
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439 <param name="qualityImmuneProbThreshold" type="float" value="" min="0.0" max="1.0" optional="true" |
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440 label="qualityImmuneProbThreshold" |
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441 help="Specify a probability above which library spectra are immune to quality filters. Default is 0.999"/> |
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442 <param name="qualityImmuneMultipleEngines" type="select" optional="true" label="qualityImmuneMultipleEngines Default: true" > |
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443 <help> Make spectra identified by multiple sequence search engines immune to quality filters. |
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444 </help> |
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445 <option value="false">false</option> |
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446 <option value="true">true</option> |
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447 </param> |
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448 </section> |
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449 </xml> |
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450 <xml name="library_manipulation_options"> |
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451 <section name="library_manipulation" expanded="false" title="Library Manipulation Options"> |
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452 <!-- filterCriteria --> |
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453 |
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454 <param name="filterCriteria" type="text" value="" optional="true" label="filterCriteria"> |
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455 <help><![CDATA[ |
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456 Filter library by criteria. Keep only those entries satisfying the predicate. |
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457 The preicate should in the form "<attr> <op> <value>". |
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458 <attr> can refer to any of the fields and any comment entries. |
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459 <op> can be ==, !=, <, >, <=, >=, =~ and !~. |
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460 Multiple predicates can be separated by either & (AND logic) or | (OR logic), but not both. |
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461 ]]></help> |
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462 <validator type="regex" message=""><![CDATA[^\S+ (==|!=|<|>|<=|>=|=~|!~) \S+(( & \S+ (==|!=|<|>|<=|>=|=~|!~) \S+)|( [|] \S+ (==|!=|<|>|<=|>=|=~|!~) \S+ ))*$]]></validator> |
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463 </param> |
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464 <param name="combineAction" type="select" optional="true" label="combineAction Default: Union" > |
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465 <help> How to combine peptides from multiple files |
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466 </help> |
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467 <option value="UNION">Union (default). Include all the peptide ions in all the files.</option> |
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468 <option value="INTERSECT">Intersection. Only include peptide ions that are present in all the files.</option> |
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469 <option value="SUBTRACT">Subtraction. Only include peptide ions in the first file that are not present in any of the other files.</option> |
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470 <option value="SUBTRACT_HOMOLOGS">Subtraction of homologs. Only include peptide ions in the first file that do not have any homologs with similar m/z in any of the other files.</option> |
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471 <option value="APPEND">Appending. Each peptide ion is added from only one library: the first one in the command line that contains that peptide ion. </option> |
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472 </param> |
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473 <conditional name="build"> |
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474 <param name="buildAction" type="select" label="buildAction" > |
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475 <help> How to built representative spectra instead of including all. |
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476 </help> |
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477 <option value="NONE" selected="true">Default: no build action - all spectra will be included as is.</option> |
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478 <option value="BEST_REPLICATE">Best replicate. Pick the best replicate of each peptide ion.</option> |
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479 <option value="CONSENSUS">Consensus. Create the consensus spectrum of all replicate spectra of each peptide ion.</option> |
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480 <option value="QUALITY_FILTER">Quality filter. Apply quality filters to library.</option> |
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481 <option value="DECOY">Decoy. Generate decoy spectra.</option> |
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482 <option value="SORT_BY_NREPS">Sort by descending number of replicates (tie-breaking by probability).</option> |
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483 <option value="USER_SPECIFIED_MODS">User-specified modifications. Generate semi-empirical spectra. (allowableModTokens required)</option> |
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484 <option value="SIMILARITY_CLUSTERING">Semi-empirical. Generate semi-empirical spectra.</option> |
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485 <option value="SEMI_EMPIRICAL_SPLIB">Clustering by spectral similarity. </option> |
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486 </param> |
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487 <when value="NONE"/> |
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488 <when value="BEST_REPLICATE"> |
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489 <expand macro="library_build_bc_opts"/> |
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490 </when> |
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491 <when value="CONSENSUS"> |
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492 <expand macro="library_build_bc_opts"/> |
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493 </when> |
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494 <when value="QUALITY_FILTER"> |
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7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
495 <expand macro="library_build_q_opts"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
496 </when> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
497 <when value="DECOY"> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
498 <expand macro="library_build_d_opts"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
0
diff
changeset
|
499 </when> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
0
diff
changeset
|
500 <when value="SORT_BY_NREPS"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
0
diff
changeset
|
501 <when value="USER_SPECIFIED_MODS"> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
0
diff
changeset
|
502 <expand macro="library_build_m_opts"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
503 </when> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
504 <when value="SIMILARITY_CLUSTERING"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
505 <when value="SEMI_EMPIRICAL_SPLIB"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
506 </conditional> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
507 <param name="reduceSpectra" type="integer" value="" optional="true" min="0" |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
508 label="reduceSpectra" |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
509 help="Produce reduced spectra of at most this number of peaks, based on rules prioritizing desirable SRM transitions. Default is 0 (keep entire spectrum)"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
510 <param name="reannotatePeaks" type="select" optional="true" label="reannotatePeaks Default: false" > |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
511 <help> Re-annotate peaks. |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
512 </help> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
513 <option value="false">false</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
514 <option value="true">true</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
515 </param> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
516 <param name="minimumNumPeaksToInclude" type="integer" value="" optional="true" min="1" |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
517 label="minimumNumPeaksToInclude" |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
518 help="Exclude spectra with fewer than this number of peaks. Default is 10"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
519 <param name="minimumMRMQ3MZ" type="integer" value="" optional="true" min="1" |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
520 label="minimumMRMQ3MZ" |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
521 help="Specify the lower m/z limit for Q3 in SRM table generation. Default is 200."/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
522 <param name="maximumMRMQ3MZ" type="integer" value="" optional="true" min="1" |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
523 label="maximumMRMQ3MZ" |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
524 help="Specify the upper m/z limit for Q3 in SRM table generation. Default is 1400."/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
525 <conditional name="db"> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
526 <param name="refresh" type="select" label="Refresh protein mappings against the FASTA database"> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
527 <option value="no">No</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
528 <option value="yes">Yes</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
529 </param> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
530 <when value="no"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
531 <when value="yes"> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
532 <param name="refreshDatabase" type="data" format="fasta" label="Protein FASTA datadase"/> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
533 <param name="refreshDeleteUnmapped" type="select" optional="true" label="refreshDeleteUnmapped Default: false" > |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
534 <help> Delete entries whose peptide sequences do not map to any protein during refreshing. |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
535 </help> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
536 <option value="false">false</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
537 <option value="true">true</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
538 </param> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
539 <param name="refreshDeleteMultimapped" type="select" optional="true" label="refreshDeleteMultimapped Default: false" > |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
540 <help> Delete entries whose peptide sequences map to multiple proteins during refreshing. |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
541 </help> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
542 <option value="false">false</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
543 <option value="true">true</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
544 </param> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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|
545 <param name="refreshTrypticOnly" type="select" optional="true" label="refreshTrypticOnly Default: false" > |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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changeset
|
546 <help> Only map peptide to protein when the peptide is tryptic in that protein. |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
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|
547 </help> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
548 <option value="false">false</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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changeset
|
549 <option value="true">true</option> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
550 </param> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
551 </when> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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changeset
|
552 </conditional> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
553 </section> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
554 </xml> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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changeset
|
555 <token name="@LIBRARY_UNIDENTIFIED_OPTIONS@"> |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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changeset
|
556 #if $library_unidentified.unidentifiedClusterIndividualRun is not None: |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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diff
changeset
|
557 unidentifiedClusterIndividualRun = $library_unidentified.unidentifiedClusterIndividualRun |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
558 #end if |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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changeset
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559 #if $library_unidentified.unidentifiedClusterMinimumDot is not None: |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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changeset
|
560 unidentifiedClusterMinimumDot = $library_unidentified.unidentifiedClusterMinimumDot |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
561 #end if |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
562 #if $library_unidentified.unidentifiedRemoveSinglyCharged is not None: |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
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563 unidentifiedRemoveSinglyCharged = $library_unidentified.unidentifiedRemoveSinglyCharged |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
564 #end if |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
565 #if $library_unidentified.unidentifiedMinimumNumPeaksToInclude is not None: |
|
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
parents:
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diff
changeset
|
566 unidentifiedMinimumNumPeaksToInclude = $library_unidentified.unidentifiedMinimumNumPeaksToInclude |
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7f02fc51bddf
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567 #end if |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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568 #if $library_unidentified.unidentifiedSingletonXreaThreshold is not None: |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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569 unidentifiedSingletonXreaThreshold = $library_unidentified.unidentifiedSingletonXreaThreshold |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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570 #end if |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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571 </token> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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572 <xml name="library_unidentified_options"> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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573 <section name="library_unidentified" expanded="false" title="Library Clustering Unidentified Options"> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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574 <param name="unidentifiedClusterIndividualRun" type="select" optional="true" label="unidentifiedClusterIndividualRun Default: false" > |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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575 <help> Merge neighboring spectra in each run as they are imported from data (mz(X)ML) files. |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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576 </help> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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577 <option value="false">false</option> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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578 <option value="true">true</option> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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579 </param> |
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580 <param name="unidentifiedClusterMinimumDot" type="float" value="" min="0.0" max="1.0" optional="true" |
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581 label="unidentifiedClusterMinimumDot" |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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582 help="Specify minimum dot products for two spectra to be clustered. Default is 0.7"/> |
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583 |
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584 <param name="unidentifiedRemoveSinglyCharged" type="select" optional="true" label="unidentifiedRemoveSinglyCharged Default: true" > |
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585 <help> Remove spectra that appear to be from singly charged precursors. |
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586 </help> |
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587 <option value="false">false</option> |
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588 <option value="true">true</option> |
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589 </param> |
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590 <param name="unidentifiedMinimumNumPeaksToInclude" type="integer" value="" optional="true" min="1" |
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591 label="unidentifiedMinimumNumPeaksToInclude" |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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592 help="Remove spectra that have fewer than this number of peaks. Default is 35"/> |
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593 <param name="unidentifiedSingletonXreaThreshold" type="float" value="" min="0.0" max="1.0" optional="true" |
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594 label="unidentifiedSingletonXreaThreshold" |
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595 help="Apply an Xrea (quality measure) filter to singleton spectra after clustering. Only those with Xrea at least this theshold are kept. Default is 0.6"/> |
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596 </section> |
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597 </xml> |
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598 |
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0
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599 <xml name="citations"> |
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600 <citations> |
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601 <citation type="doi">10.1002/pmic.200600625</citation> |
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602 <yield /> |
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603 </citations> |
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604 </xml> |
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605 </macros> |
