Mercurial > repos > jjohnson > spectrast
annotate macros.xml @ 4:c9bfe6adb7cd draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 592d86797e58318bad77de7c7de253056218cd1e-dirty
author | jjohnson |
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date | Wed, 25 Jul 2018 14:41:20 -0400 |
parents | 7f02fc51bddf |
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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
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1 <macros> |
4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
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2 <token name="@VERSION@">5.0.0</token> |
4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
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3 <xml name="requirements"> |
4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
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4 <requirements> |
4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
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5 <requirement type="package" version="5.0.0">tpp</requirement> |
4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
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6 <yield/> |
4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
parents:
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7 </requirements> |
4e23dcad9087
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit d390af4450c890f34bfb02a5c1feaaa10b015411-dirty
jjohnson
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8 </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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9 <token name="@LIBRARY_CREATE_OPTIONS@"> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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10 outputFileName = ${output.extra_files_path}/library.splib |
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c9bfe6adb7cd
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 592d86797e58318bad77de7c7de253056218cd1e-dirty
jjohnson
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11 #if str($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
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12 removeDecoyProteins = $library_create.removeDecoyProteins |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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13 #end if |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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14 #if str($library_create.useProbTable) != 'None': |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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15 useProbTable = $library_create.useProbTable |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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16 #end if |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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17 #if str($library_create.useProteinList) != 'None': |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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18 useProteinList = $library_create.useProteinList |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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19 #end if |
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c9bfe6adb7cd
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 592d86797e58318bad77de7c7de253056218cd1e-dirty
jjohnson
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20 #if str($library_create.printMRMTable) in ['true']: |
c9bfe6adb7cd
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 592d86797e58318bad77de7c7de253056218cd1e-dirty
jjohnson
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21 printMRMTable = DEFAULT |
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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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22 #end if |
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c9bfe6adb7cd
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 592d86797e58318bad77de7c7de253056218cd1e-dirty
jjohnson
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23 #if str($library_create.writeMgfFile) in ['true','false']: |
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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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24 writeMgfFile = $library_create.writeMgfFile |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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25 #end if |
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c9bfe6adb7cd
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 592d86797e58318bad77de7c7de253056218cd1e-dirty
jjohnson
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26 ## #if str($library_create.writeDtaFiles) in ['true','false']: |
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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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27 ## writeDtaFiles = $library_create.writeDtaFiles |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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28 ## #end if |
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c9bfe6adb7cd
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 592d86797e58318bad77de7c7de253056218cd1e-dirty
jjohnson
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29 #if str($library_create.writePAIdent) in ['true','false']: |
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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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30 writePAIdent = $library_create.writePAIdent |
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 |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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32 </token> |
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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c9bfe6adb7cd
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 592d86797e58318bad77de7c7de253056218cd1e-dirty
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34 <data name="library_pai" format="tabular" label="library.PAIdent" from_work_dir="outdir/library.PAIdent"> |
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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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35 <filter>library_create['writePAIdent'] == 'true'</filter> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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36 </data> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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37 <data name="library_mrm" format="tabular" label="library.mrm" from_work_dir="outdir/library.mrm"> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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38 <filter>library_create['printMRMTable'] == 'true'</filter> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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39 </data> |
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"> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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41 <filter>library_create['writeMgfFile'] == 'true'</filter> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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42 </data> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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43 <!-- |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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44 <data name="library_mgf" format="dta" label="library.mgf" from_work_dir="outdir/library.mrm"> |
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> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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46 </data> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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47 --> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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48 </xml> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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49 <xml name="library_create_options"> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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50 <section name="library_create" expanded="false" title="Library Create Options"> |
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" > |
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. |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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53 </help> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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54 </param> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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55 |
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"> |
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[ |
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. |
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. |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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60 ]]></help> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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61 </param> |
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"> |
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[ |
7f02fc51bddf
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64 Only those peptide ions associated with proteins in the list will be imported. |
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. |
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, |
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. |
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. |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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69 ]]></help> |
7f02fc51bddf
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70 </param> |
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" > |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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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 str($library_import.minimumProbabilityToInclude) != '': |
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101 minimumProbabilityToInclude = $library_import.minimumProbabilityToInclude |
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102 #end if |
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103 #if str($library_import.maximumFDRToInclude) != '': |
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104 maximumFDRToInclude = $library_import.maximumFDRToInclude |
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105 #end if |
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106 #if str($library_import.setFragmentation) != 'None': |
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107 setFragmentation = $library_import.setFragmentation |
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108 #end if |
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109 #if str($library_import.setDeamidatedNXST) != 'None': |
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110 setDeamidatedNXST = $library_import.setDeamidatedNXST |
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111 #end if |
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112 #if str($library_import.addMzXMLFileToDatasetName) != 'None': |
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113 addMzXMLFileToDatasetName = $library_import.addMzXMLFileToDatasetName |
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114 #end if |
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115 #if str($library_import.centroidPeaks) != 'None': |
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116 centroidPeaks = $library_import.centroidPeaks |
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117 #end if |
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118 #if str($library_import.rawSpectraNoiseThreshold) != '': |
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119 rawSpectraNoiseThreshold = $library_import.rawSpectraNoiseThreshold |
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120 #end if |
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121 #if str($library_import.rawSpectraMaxDynamicRange) != '': |
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122 rawSpectraMaxDynamicRange = $library_import.rawSpectraMaxDynamicRange |
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123 #end if |
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124 #if str($library_import.minimumNumAAToInclude) != '': |
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125 minimumNumAAToInclude = $library_import.minimumNumAAToInclude |
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126 #end if |
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127 #if str($library_import.minimumNumPeaksToInclude) != '': |
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128 minimumNumPeaksToInclude = $library_import.minimumNumPeaksToInclude |
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129 #end if |
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130 #if str($library_import.skipRawAnnotation) != 'None': |
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131 skipRawAnnotation = $library_import.skipRawAnnotation |
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132 #end if |
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133 #if str($library_import.minimumDeltaCnToInclude) != '': |
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134 minimumDeltaCnToInclude = $library_import.minimumDeltaCnToInclude |
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135 #end if |
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136 #if str($library_import.maximumMassDiffToInclude) != '': |
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137 maximumMassDiffToInclude = $library_import.maximumMassDiffToInclude |
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138 #end if |
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139 #if str($library_import.bracketSpectra) != 'None': |
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140 bracketSpectra = $library_import.bracketSpectra |
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141 #end if |
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142 #if str($library_import.mergeBracket) != '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 = $library_import.normalizeRTWithLandmarks |
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147 #end if |
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148 #if str($library_import.normalizeRTLinearRegression) != '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" optional="true" label="Set the fragmentation type of all spectra, overriding existing information" > |
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161 <help>Default is off (determined from the data files). |
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162 Examples: CID, ETD, CID-QTOF, HCD. The latter two are treated as high-mass accuracy spectra. |
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163 </help> |
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164 <option value="ETD">ETD spectra</option> |
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165 <option value="CID-QTOF">CID-QTOF spectra</option> |
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166 <option value="HCD">HCD spectra</option> |
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167 </param> |
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168 <param name="setDeamidatedNXST" type="select" optional="true" label="setDeamidatedNXST Default: false" > |
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169 <help> Set all asparagines (N) in the motif NX(S/T) as deamidated (N[115]), |
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170 and all asparagines not in the motif NX(S/T) as unmodified. |
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171 Use for glycocaptured peptides. |
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172 </help> |
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173 <option value="false">false</option> |
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174 <option value="true">true</option> |
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175 </param> |
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176 <param name="addMzXMLFileToDatasetName" type="select" optional="true" label="addMzXMLFileToDatasetName Default: false" > |
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177 <help> Add the originating mzXML file name to the dataset identifier. |
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178 Good for keeping track of the MS run in which the peptide is observed. |
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179 </help> |
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180 <option value="false">false</option> |
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181 <option value="true">true</option> |
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182 </param> |
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183 <param name="centroidPeaks" type="select" optional="true" label="centroidPeaks Default: false" > |
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184 <help> Centroid peaks as raw spectra are imported. |
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185 Designed mostly for Q-TOF spectra in profile mode. |
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186 </help> |
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187 <option value="false">false</option> |
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188 <option value="true">true</option> |
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189 </param> |
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190 <param name="rawSpectraNoiseThreshold" type="float" value="" min="0.0" optional="true" |
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191 label="rawSpectraNoiseThreshold" |
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192 help="Absolute noise filter. Remove noise peaks with intensity below this in imported spectra. Default is 0.0"/> |
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193 <param name="rawSpectraMaxDynamicRange" type="float" value="" min="1.0" optional="true" |
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194 label="rawSpectraMaxDynamicRange" |
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195 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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196 <param name="minimumNumAAToInclude" type="integer" value="" optional="true" min="1" |
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197 label="minimumNumAAToInclude" |
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198 help="Exclude spectra of peptide IDs shorter than this number of amino acids. Default is 6"/> |
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199 <param name="minimumNumPeaksToInclude" type="integer" value="" optional="true" min="1" |
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200 label="minimumNumPeaksToInclude" |
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201 help="Exclude spectra with fewer than this number of peaks. Default is 10"/> |
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202 <param name="skipRawAnnotation" type="select" optional="true" label="skipRawAnnotation Default: false" > |
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203 <help> Skip the annotation of raw spectra as they are imported. |
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204 Annotation is quite slow and might be impractical if the number of imported spectra is enormous. |
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205 </help> |
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206 <option value="false">false</option> |
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207 <option value="true">true</option> |
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208 </param> |
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209 <param name="minimumDeltaCnToInclude" type="float" value="" min="0.0" optional="true" |
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210 label="minimumDeltaCnToInclude" |
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211 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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212 <param name="maximumMassDiffToInclude" type="float" value="" min="0.0" optional="true" |
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213 label="maximumMassDiffToInclude" |
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214 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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215 <param name="bracketSpectra" type="select" optional="true" label="bracketSpectra Default: false" > |
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216 <help> (Only for pepXML import) |
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217 Bracket import: for each confident ID, also search neighboring scans for repeated scans to import. |
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218 </help> |
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219 <option value="false">false</option> |
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220 <option value="true">true</option> |
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221 </param> |
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222 <param name="mergeBracket" type="select" optional="true" label="mergeBracket Default: false" > |
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223 <help> (Only for pepXML import) |
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224 Merge bracketed spectra: merge repeated scans of a bracket into one consensus spectrum for import. |
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225 </help> |
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226 <option value="false">false</option> |
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227 <option value="true">true</option> |
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228 </param> |
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229 <param name="normalizeRTWithLandmarks" type="data" format="tabular" optional="true" |
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230 label="normalizeRTWithLandmarks Use landmark peptides to normalize retention times to iRTs." |
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231 help="A TAB-delimited table with two columns: peptide sequence and iRT" /> |
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232 <param name="normalizeRTLinearRegression" type="select" optional="true" label="normalizeRTLinearRegression Default: false" > |
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233 <help> Regress the real RTs of landmark peptides (i.e. assume they form a straight line). |
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234 </help> |
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235 <option value="false">false</option> |
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236 <option value="true">true</option> |
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237 </param> |
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238 </section> |
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239 </xml> |
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240 |
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241 <token name="@LIBRARY_MANIPULATION_OPTIONS@"> |
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242 #if str($library_manipulation.filterCriteria) != '': |
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243 filterCriteria = $library_manipulation.filterCriteria |
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244 #end if |
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245 #if str($library_manipulation.combineAction) != 'None': |
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246 combineAction = $library_manipulation.combineAction |
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247 #end if |
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248 #if $library_manipulation.build.buildAction != 'NONE': |
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249 buildAction = $library_manipulation.build.buildAction |
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250 #if $library_manipulation.build.buildAction in ['BEST_REPLICATE','CONSENSUS']: |
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251 #if str($library_manipulation.build.build_bc_action.minimumNumReplicates) != '': |
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252 minimumNumReplicates = $library_manipulation.build.build_bc_action.minimumNumReplicates |
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253 #end if |
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254 #if str($library_manipulation.build.build_bc_action.removeDissimilarReplicates) in ['true','false']: |
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255 removeDissimilarReplicates = $library_manipulation.build.build_bc_action.removeDissimilarReplicates |
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256 #end if |
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257 #if str($library_manipulation.build.build_bc_action.peakQuorum) != '': |
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258 peakQuorum = $library_manipulation.build.build_bc_action.peakQuorum |
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259 #end if |
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260 #if str($library_manipulation.build.build_bc_action.maximumNumPeaksUsed) != '': |
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261 maximumNumPeaksUsed = $library_manipulation.build.build_bc_action.maximumNumPeaksUsed |
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262 #end if |
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263 #if str($library_manipulation.build.build_bc_action.maximumNumReplicates) != '': |
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264 maximumNumReplicates = $library_manipulation.build.build_bc_action.maximumNumReplicates |
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265 #end if |
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266 #if str($library_manipulation.build.build_bc_action.maximumNumPeaksKept) != '': |
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267 maximumNumPeaksKept = $library_manipulation.build.build_bc_action.maximumNumPeaksKept |
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268 #end if |
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269 #if str($library_manipulation.build.build_bc_action.replicateWeight) != 'None': |
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270 replicateWeight = $library_manipulation.build.build_bc_action.replicateWeight |
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271 #end if |
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272 #if str($library_manipulation.build.build_bc_action.recordRawSpectra) in ['true','false']: |
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273 recordRawSpectra = $library_manipulation.build.build_bc_action.recordRawSpectra |
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274 #end if |
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275 #end if |
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276 #if $library_manipulation.build.buildAction == 'DECOY': |
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277 #if str($library_manipulation.build.build_d_action.decoyConcatenate) in ['true','false']: |
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278 decoyConcatenate = $library_manipulation.build.build_d_action.decoyConcatenate |
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279 #end if |
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280 #if str($library_manipulation.build.build_d_action.decoySizeRatio) != '': |
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281 decoySizeRatio = $library_manipulation.build.build_d_action.decoySizeRatio |
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282 #end if |
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283 #if str($library_manipulation.build.build_d_action.decoyPrecursorSwap) in ['true','false']: |
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284 decoyPrecursorSwap = $library_manipulation.build.build_d_action.decoyPrecursorSwap |
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285 #end if |
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286 #end if |
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287 #if $library_manipulation.build.buildAction == 'USER_SPECIFIED_MODS': |
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288 #if str($library_manipulation.build.build_m_action.allowableModTokens) != '': |
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289 allowableModTokens = $library_manipulation.build.build_m_action.allowableModTokens |
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290 #end if |
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291 #end if |
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292 #if $library_manipulation.build.buildAction == 'QUALITY_FILTER': |
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293 #if str($library_manipulation.build.build_q_action.minimumNumReplicates) != '': |
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294 minimumNumReplicates = $library_manipulation.build.build_q_action.minimumNumReplicates |
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295 #end if |
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296 #if str($library_manipulation.build.build_q_action.qualityLevelRemove) != '': |
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297 qualityLevelRemove = $library_manipulation.build.build_q_action.qualityLevelRemove |
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298 #end if |
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299 #if str($library_manipulation.build.build_q_action.qualityLevelMark) != '': |
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300 qualityLevelMark = $library_manipulation.build.build_q_action.qualityLevelMark |
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301 #end if |
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302 #if str($library_manipulation.build.build_q_action.qualityPenalizeSingletons) in ['true','false']: |
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303 qualityPenalizeSingletons = $library_manipulation.build.build_q_action.qualityPenalizeSingletons |
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304 #end if |
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305 #if str($library_manipulation.build.build_q_action.qualityImmuneProbThreshold) != '': |
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306 qualityImmuneProbThreshold = $library_manipulation.build.build_q_action.qualityImmuneProbThreshold |
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307 #end if |
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308 #if str($library_manipulation.build.build_q_action.qualityImmuneMultipleEngines) in ['true','false']: |
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309 qualityImmuneMultipleEngines = $library_manipulation.build.build_q_action.qualityImmuneMultipleEngines |
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310 #end if |
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311 #end if |
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312 #end if |
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313 #if str($library_manipulation.reduceSpectra) != '': |
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314 reduceSpectra = $library_manipulation.reduceSpectra |
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315 #end if |
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316 #if str($library_manipulation.reannotatePeaks) in ['true','false']: |
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317 reannotatePeaks = $library_manipulation.reannotatePeaks |
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318 #end if |
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319 #if str($library_manipulation.minimumNumPeaksToInclude) != '': |
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320 minimumNumPeaksToInclude = $library_manipulation.minimumNumPeaksToInclude |
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321 #end if |
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322 #if str($library_manipulation.minimumMRMQ3MZ) != '': |
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323 minimumMRMQ3MZ = $library_manipulation.minimumMRMQ3MZ |
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324 #end if |
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325 #if str($library_manipulation.maximumMRMQ3MZ) != '': |
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326 maximumMRMQ3MZ = $library_manipulation.maximumMRMQ3MZ |
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327 #end if |
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328 #if $library_manipulation.db.refresh == 'yes': |
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329 refreshDatabase = $library_manipulation.db.refreshDatabase |
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330 #if str($library_manipulation.db.refreshDeleteUnmapped) in ['true','false']: |
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331 refreshDeleteUnmapped = $library_manipulation.db.refreshDeleteUnmapped |
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332 #end if |
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333 #if str($library_manipulation.db.refreshDeleteMultimapped) in ['true','false']: |
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334 refreshDeleteMultimapped = $library_manipulation.db.refreshDeleteMultimapped |
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335 #end if |
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336 #if str($library_manipulation.db.refreshTrypticOnly) in ['true','false']: |
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337 refreshTrypticOnly = $library_manipulation.db.refreshTrypticOnly |
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338 #end if |
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339 #end if |
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340 </token> |
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341 <xml name="library_build_bc_opts"> |
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342 <section name="build_bc_action" expanded="false" title="Consensus/Best-Replicate Library Creation Build Options"> |
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343 <param name="minimumNumReplicates" type="integer" value="" optional="true" min="1" |
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344 label="minimumNumReplicates" |
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345 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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346 <param name="removeDissimilarReplicates" type="select" optional="true" label="removeDissimilarReplicates Default: true" > |
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347 <help> Remove dissimilar replicates before creating consensus spectrum. |
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348 </help> |
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349 <option value="false">false</option> |
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350 <option value="true">true</option> |
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351 </param> |
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352 <param name="peakQuorum" type="float" value="" min="0.0" max="1.0" optional="true" |
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353 label="peakQuorum" |
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354 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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355 <param name="maximumNumPeaksUsed" type="integer" value="" optional="true" min="1" |
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356 label="maximumNumPeaksUsed" |
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357 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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358 <param name="maximumNumReplicates" type="integer" value="" optional="true" min="1" |
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359 label="maximumNumReplicates" |
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360 help="Maximum number of replicates used to build consensus spectrum. Default is 100"/> |
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361 <param name="maximumNumPeaksKept" type="integer" value="" optional="true" min="1" |
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362 label="maximumNumPeaksKept" |
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363 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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364 <param name="replicateWeight" type="select" optional="true" label="replicateWeight Default: signal-to-noise ratio" > |
4
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365 <help> Select the type of score to weigh and rank the replicates. |
3
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366 </help> |
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367 <option value="NONE">NONE</option> |
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368 <option value="SN">Use a measure of signal-to-noise ratio as the weight.</option> |
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369 <option value="XCORR">Use a function of the SEQUEST xcorr score as the weight.</option> |
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370 <option value="PROB">Use a function of the PeptideProphet probability as the weight.</option> |
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371 <option value="INTP">Use the sqrt of precursor intensity</option> |
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372 </param> |
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373 <param name="recordRawSpectra" type="select" optional="true" label="recordRawSpectra Default: false" > |
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374 <help> Record all raw spectra (in the format file.scan.scan) used in build the consensus in the Comment line. |
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375 </help> |
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376 <option value="false">false</option> |
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377 <option value="true">true</option> |
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378 </param> |
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379 </section> |
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380 </xml> |
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381 <xml name="library_build_d_opts"> |
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382 <section name="build_d_action" expanded="false" title="Decoy Library Creation Build Options"> |
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383 <param name="decoyConcatenate" type="select" optional="true" label="decoyConcatenate Default: false" > |
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384 <help> Concatenate real and decoy libraries. Default is false: library consisting of only decoy spectra is created. |
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385 </help> |
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386 <option value="false">false</option> |
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387 <option value="true">true</option> |
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388 </param> |
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389 <param name="decoySizeRatio" type="integer" value="" optional="true" min="1" |
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390 label="decoySizeRatio" |
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391 help="Specify the (decoy / real) size ratio. Default is 1"/> |
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392 <param name="decoyPrecursorSwap" type="select" optional="true" label="decoyPrecursorSwap Default: false" > |
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393 <help> Use a modified form of the precursor swap method for generating decoys. |
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394 </help> |
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395 <option value="false">false</option> |
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396 <option value="true">true</option> |
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397 </param> |
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398 </section> |
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399 </xml> |
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400 <xml name="library_build_m_opts"> |
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401 <section name="build_m_action" expanded="false" title="Usr Mods Library Creation Build Options"> |
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402 <param name="allowableModTokens" type="text" value="" optional="true" label="allowableModTokens"> |
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403 <help><![CDATA[ |
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404 Specify the set(s) of modifications allowed in semi-empirical spectrum generation. |
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405 ]]></help> |
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406 </param> |
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407 </section> |
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408 </xml> |
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409 <xml name="quality_level_opts"> |
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410 <option value="0">0: No filter.</option> |
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411 <option value="1">1: Remove/mark impure spectra.</option> |
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412 <option value="2">2: Also remove/mark spectra with a spectrally similar counterpart in the library that is better.</option> |
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413 <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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414 <option value="4">4: Also remove/mark all singleton entries.</option> |
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415 <option value="5">5: Also remove/mark all inquorate entries (defined with minimumNumReplicates).</option> |
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416 </xml> |
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417 <xml name="library_build_q_opts"> |
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418 <section name="build_q_action" expanded="false" title="Quality Filter Library Creation Build Options"> |
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419 <param name="minimumNumReplicates" type="integer" value="" optional="true" min="1" |
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420 label="minimumNumReplicates" |
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421 help="Replicate quorum. Its value affects behavior of quality filter. Default is 1"/> |
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422 <param name="qualityLevelRemove" type="select" optional="true" label="qualityLevelRemove Default: 2" > |
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423 <help> Specify the removal stringency of the quality filter |
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424 </help> |
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425 <expand macro="quality_level_opts"/> |
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426 </param> |
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427 <param name="qualityLevelMark" type="select" optional="true" label="qualityLevelMark Default: 5" > |
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428 <help> Specify the removal stringency of the quality filter |
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429 </help> |
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430 <expand macro="quality_level_opts"/> |
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431 </param> |
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432 <param name="qualityPenalizeSingletons" type="select" optional="true" label="qualityPenalizeSingletons Default: true" > |
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433 <help> Apply stricter thresholds to singleton spectra during quality filters. |
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434 </help> |
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435 <option value="false">false</option> |
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436 <option value="true">true</option> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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437 </param> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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438 <param name="qualityImmuneProbThreshold" type="float" value="" min="0.0" max="1.0" optional="true" |
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439 label="qualityImmuneProbThreshold" |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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440 help="Specify a probability above which library spectra are immune to quality filters. Default is 0.999"/> |
7f02fc51bddf
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441 <param name="qualityImmuneMultipleEngines" type="select" optional="true" label="qualityImmuneMultipleEngines Default: true" > |
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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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442 <help> Make spectra identified by multiple sequence search engines immune to quality filters. |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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443 </help> |
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444 <option value="false">false</option> |
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445 <option value="true">true</option> |
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446 </param> |
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447 </section> |
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448 </xml> |
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449 <xml name="library_manipulation_options"> |
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450 <section name="library_manipulation" expanded="false" title="Library Manipulation Options"> |
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451 <!-- filterCriteria --> |
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452 |
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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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453 <param name="filterCriteria" type="text" value="" optional="true" label="filterCriteria"> |
7f02fc51bddf
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454 <help><![CDATA[ |
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455 Filter library by criteria. Keep only those entries satisfying the predicate. |
4
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456 The predicate should in the form "<attr> <op> <value>". |
3
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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457 <attr> can refer to any of the fields and any comment entries. |
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458 <op> can be ==, !=, <, >, <=, >=, =~ and !~. |
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459 Multiple predicates can be separated by either & (AND logic) or | (OR logic), but not both. |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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460 ]]></help> |
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461 <validator type="regex" message=""><![CDATA[^\S+ (==|!=|<|>|<=|>=|=~|!~) \S+(( & \S+ (==|!=|<|>|<=|>=|=~|!~) \S+)|( [|] \S+ (==|!=|<|>|<=|>=|=~|!~) \S+ ))*$]]></validator> |
7f02fc51bddf
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462 </param> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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463 <param name="combineAction" type="select" optional="true" label="combineAction Default: Union" > |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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464 <help> How to combine peptides from multiple files |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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465 </help> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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466 <option value="UNION">Union (default). Include all the peptide ions in all the files.</option> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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467 <option value="INTERSECT">Intersection. Only include peptide ions that are present in all the files.</option> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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468 <option value="SUBTRACT">Subtraction. Only include peptide ions in the first file that are not present in any of the other files.</option> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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469 <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> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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470 <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> |
7f02fc51bddf
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471 </param> |
7f02fc51bddf
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472 <conditional name="build"> |
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473 <param name="buildAction" type="select" label="buildAction" > |
7f02fc51bddf
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474 <help> How to built representative spectra instead of including all. |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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475 </help> |
7f02fc51bddf
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476 <option value="NONE" selected="true">Default: no build action - all spectra will be included as is.</option> |
7f02fc51bddf
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477 <option value="BEST_REPLICATE">Best replicate. Pick the best replicate of each peptide ion.</option> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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478 <option value="CONSENSUS">Consensus. Create the consensus spectrum of all replicate spectra of each peptide ion.</option> |
7f02fc51bddf
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479 <option value="QUALITY_FILTER">Quality filter. Apply quality filters to library.</option> |
7f02fc51bddf
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480 <option value="DECOY">Decoy. Generate decoy spectra.</option> |
7f02fc51bddf
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481 <option value="SORT_BY_NREPS">Sort by descending number of replicates (tie-breaking by probability).</option> |
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482 <option value="USER_SPECIFIED_MODS">User-specified modifications. Generate semi-empirical spectra. (allowableModTokens required)</option> |
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483 <option value="SIMILARITY_CLUSTERING">Semi-empirical. Generate semi-empirical spectra.</option> |
7f02fc51bddf
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484 <option value="SEMI_EMPIRICAL_SPLIB">Clustering by spectral similarity. </option> |
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485 </param> |
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486 <when value="NONE"/> |
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487 <when value="BEST_REPLICATE"> |
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488 <expand macro="library_build_bc_opts"/> |
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489 </when> |
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490 <when value="CONSENSUS"> |
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491 <expand macro="library_build_bc_opts"/> |
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492 </when> |
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493 <when value="QUALITY_FILTER"> |
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494 <expand macro="library_build_q_opts"/> |
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495 </when> |
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496 <when value="DECOY"> |
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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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497 <expand macro="library_build_d_opts"/> |
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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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498 </when> |
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499 <when value="SORT_BY_NREPS"/> |
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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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500 <when value="USER_SPECIFIED_MODS"> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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501 <expand macro="library_build_m_opts"/> |
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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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502 </when> |
7f02fc51bddf
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503 <when value="SIMILARITY_CLUSTERING"/> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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|
504 <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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changeset
|
505 </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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changeset
|
506 <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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changeset
|
507 label="reduceSpectra" |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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changeset
|
508 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
|
509 <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
|
510 <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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changeset
|
511 </help> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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changeset
|
512 <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
|
513 <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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changeset
|
514 </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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changeset
|
515 <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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changeset
|
516 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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changeset
|
517 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
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changeset
|
518 <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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changeset
|
519 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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changeset
|
520 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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changeset
|
521 <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
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changeset
|
522 label="maximumMRMQ3MZ" |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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523 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
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changeset
|
524 <conditional name="db"> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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changeset
|
525 <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
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526 <option value="no">No</option> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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changeset
|
527 <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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changeset
|
528 </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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changeset
|
529 <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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changeset
|
530 <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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changeset
|
531 <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
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|
532 <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
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533 <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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changeset
|
534 </help> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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changeset
|
535 <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
|
536 <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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changeset
|
537 </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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|
538 <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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changeset
|
539 <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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changeset
|
540 </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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changeset
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541 <option value="false">false</option> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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changeset
|
542 <option value="true">true</option> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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|
543 </param> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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|
544 <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
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|
545 <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
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|
546 </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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changeset
|
547 <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
|
548 <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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|
549 </param> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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|
550 </when> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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551 </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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552 </section> |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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|
553 </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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554 <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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555 #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
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556 unidentifiedClusterIndividualRun = $library_unidentified.unidentifiedClusterIndividualRun |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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|
557 #end if |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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parents:
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558 #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
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559 unidentifiedClusterMinimumDot = $library_unidentified.unidentifiedClusterMinimumDot |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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|
560 #end if |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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561 #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
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562 unidentifiedRemoveSinglyCharged = $library_unidentified.unidentifiedRemoveSinglyCharged |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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563 #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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564 #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
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565 unidentifiedMinimumNumPeaksToInclude = $library_unidentified.unidentifiedMinimumNumPeaksToInclude |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
jjohnson
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|
566 #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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567 #if $library_unidentified.unidentifiedSingletonXreaThreshold is not None: |
7f02fc51bddf
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast commit 379705f578f9a0465f497894c7d2b5f68b6a55e6-dirty
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568 unidentifiedSingletonXreaThreshold = $library_unidentified.unidentifiedSingletonXreaThreshold |
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
|
569 #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
|
570 </token> |
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
|
571 <xml name="library_unidentified_options"> |
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
|
572 <section name="library_unidentified" expanded="false" title="Library Clustering Unidentified Options"> |
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
|
573 <param name="unidentifiedClusterIndividualRun" type="select" optional="true" label="unidentifiedClusterIndividualRun 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
|
574 <help> Merge neighboring spectra in each run as they are imported from data (mz(X)ML) files. |
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
|
575 </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
|
576 <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
|
577 <option value="true">true</option> |
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578 </param> |
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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 name="unidentifiedClusterMinimumDot" type="float" value="" min="0.0" max="1.0" optional="true" |
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580 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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581 help="Specify minimum dot products for two spectra to be clustered. Default is 0.7"/> |
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582 |
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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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583 <param name="unidentifiedRemoveSinglyCharged" type="select" optional="true" label="unidentifiedRemoveSinglyCharged Default: true" > |
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584 <help> Remove spectra that appear to be from singly charged precursors. |
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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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585 </help> |
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586 <option value="false">false</option> |
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587 <option value="true">true</option> |
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588 </param> |
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589 <param name="unidentifiedMinimumNumPeaksToInclude" type="integer" value="" optional="true" min="1" |
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590 label="unidentifiedMinimumNumPeaksToInclude" |
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591 help="Remove spectra that have fewer than this number of peaks. Default is 35"/> |
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592 <param name="unidentifiedSingletonXreaThreshold" type="float" value="" min="0.0" max="1.0" optional="true" |
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593 label="unidentifiedSingletonXreaThreshold" |
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594 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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595 </section> |
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596 </xml> |
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597 |
0
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598 <xml name="citations"> |
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599 <citations> |
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600 <citation type="doi">10.1002/pmic.200600625</citation> |
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601 <yield /> |
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602 </citations> |
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603 </xml> |
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604 </macros> |