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annotate maxquant.xml @ 6:2133b0be850a draft

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"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
author galaxyp
date Wed, 06 May 2020 13:35:51 -0400
parents 7f432d87c82c
children d253b379322b
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6
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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1 <tool id="maxquant" name="MaxQuant" version="@VERSION@+galaxy1">
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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2 <macros>
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3 <xml name="output" token_format="tabular" token_label="default description" token_name="default">
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4 <data format="@FORMAT@" label="@LABEL@ for ${on_string}" name="@NAME@">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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5 <filter>'@NAME@' in output_opts['output']</filter>
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6 </data>
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7 </xml>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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8 <xml name="output_from_wdir" token_ext="txt" token_format="tabular" token_label="default description" token_name="default">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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9 <data format="@FORMAT@" from_work_dir="combined/txt/@NAME@.@EXT@" label="@LABEL@ for ${on_string}" name="@NAME@">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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10 <filter>'@NAME@' in output_opts['output']</filter>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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11 </data>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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12 </xml>
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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13 <import>macros.xml</import>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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14 </macros>
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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15 <expand macro="requirements"/>
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16 <command detect_errors="exit_code"><![CDATA[
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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17 #import re
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18 maxquant -c mqpar.xml 2>/dev/null ## MQ writes success of creation to stderr
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19 #if 'config' in $output_opts.output:
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20 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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21 cp '$mq_conf' '$config'
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22 #end if
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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23 #set infiles = [$name for $pg in $paramGroups for $name in $pg.files]
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24 #set names = [re.sub('@SUBSTITUTION_RX@', '_', str($n.element_identifier)) for $n in $infiles]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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25 #set names_with_ext = [($name if ($name).lower().endswith(str($input_opts.ftype)) else $name + str($input_opts.ftype)) for $name in $names]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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26 #for $target, $link in zip($infiles, $names_with_ext)
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27 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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28 ln -s '$target' '$link'
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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29 #end for
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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30 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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31 python3 '$__tool_directory__/create_mqpar.py'
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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32 #if $search_opts.template
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33 --exp_design='$search_opts.template'
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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34 #end if
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35 --version=@VERSION@
1
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36 --num_threads=\${GALAXY_SLOTS:-1}
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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37 --substitution_rx='@SUBSTITUTION_RX@'
4
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38 --yaml='$mq_conf'
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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39 mqpar.xml
1
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40
4
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41 #if $output_opts.dry_run:
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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42 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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43 mkdir -p combined/txt
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44 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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45 mv mqpar.xml combined/txt/mqpar.xml
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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46 #else:
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47 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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48 maxquant mqpar.xml
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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49 #if 'log' in $output_opts.output:
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50 > '$log'
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51 #end if
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52 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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53 mv mqpar.xml combined/txt/mqpar.xml
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54 #if 'output_all' in $output_opts.output:
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55 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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56 tar -zcf '$output_all' ./combined/txt
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57 #end if
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58
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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59 #if $qc.do_it:
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60 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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61 Rscript '$qr' '$qr_yaml'
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62 #if 'log' in $output_opts.output:
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63 >> '$log' 2>&1
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64 #end if
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65 &&
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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66 cp ./combined/txt/report_v0.92.6_combined.pdf '$ptxqc_report'
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67 #end if
0
d4b6c9eae635 Initial commit.
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68 #end if
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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69 ]]></command>
4
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70
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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71 <configfiles>
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72 <configfile name="mq_conf">
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73 #import re
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74 fastaFiles: [${input_opts.fasta_files}]
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75 parseRules:
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76 identifierParseRule: '${input_opts.identifier_parse_rule}'
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77 descriptionParseRule: '${input_opts.description_parse_rule}'
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78 minUniquePeptides: ${search_opts.min_unique_pep}
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79 minPepLen: ${search_opts.min_peptide_len}
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80 maxPeptideMass: ${search_opts.max_peptide_mass}
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81 calcPeakProperties: ${search_opts.calc_peak_properties}
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82 #set writeMzTab = "mzTab" in $output_opts.output
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83 writeMzTab: $writeMzTab
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84 #if $protein_quant.lfq_opts.do_ibaq.ibaq == 'True':
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85 ibaq: ${protein_quant.lfq_opts.do_ibaq.ibaq}
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86 ibaqLogFit: ${protein_quant.lfq_opts.do_ibaq.ibaqLogFit}
4
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87 #end if
6
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88 separateLfq: ${protein_quant.lfq_opts.separateLfq}
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89 lfqStabilizeLargeRatios: ${protein_quant.lfq_opts.lfqStabilizeLargeRatios}
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90 lfqRequireMsms: ${protein_quant.lfq_opts.lfqRequireMsms}
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91 advancedSiteIntensities: ${protein_quant.lfq_opts.advancedSiteIntensities}
4
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92 matchBetweenRuns: ${search_opts.match_between_runs}
6
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93 includeContaminants: ${search_opts.incl_contaminants}
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94 quantMode: ${protein_quant.peptides_for_quantification}
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95 restrictProteinQuantification: ${protein_quant.only_unmod_prot.unmod_prot}
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96 #if $protein_quant.only_unmod_prot.unmod_prot == 'True':
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97 #if $protein_quant.only_unmod_prot.mods_used_prot_quant:
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98 restrictMods: [${protein_quant.only_unmod_prot.mods_used_prot_quant}]
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99 #else:
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100 restrictMods: []
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101 #end if
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102 useCounterparts: $protein_quant.only_unmod_prot.discard_unmod_cpart_peptides
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103 #end if
4
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104 paramGroups:
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105 #for $pg in $paramGroups:
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106 #set names = [re.sub('@SUBSTITUTION_RX@', '_', str($n.element_identifier)) for $n in $pg.files]
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107 #set names_with_ext = [($name if ($name).lower().endswith(str($input_opts.ftype)) else $name + str($input_opts.ftype)) for $name in $names]
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108 - files: $names_with_ext
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109 maxMissedCleavages: ${pg.maxMissedCleavages}
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110 #if $pg.fixedModifications:
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111 fixedModifications: [${pg.fixedModifications}]
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112 #else:
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113 fixedModifications: []
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114 #end if
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115 #if $pg.variableModifications:
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116 variableModifications: [${pg.variableModifications}]
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117 #else:
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118 variableModifications: []
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119 #end if
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120 #if $pg.enzymes:
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121 enzymes: [${pg.enzymes}]
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122 #else:
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123 enzymes: []
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124 #end if
6
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125 enzymeMode: ${pg.digestion_mode}
4
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126 #if $pg.quant_method.select_quant_method == 'silac':
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127 labelMods:
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128 #if $pg.quant_method.light_labels:
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129 - [${pg.quant_method.light_labels}]
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130 #else:
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131 - []
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132 #end if
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133 #if $pg.quant_method.medium_labels:
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134 - [${pg.quant_method.medium_labels}]
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135 #else:
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136 - []
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137 #end if
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138 #if $pg.quant_method.heavy_labels:
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139 - [${pg.quant_method.heavy_labels}]
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140 #else:
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141 - []
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142 #end if
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143 #end if
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144 #if $pg.quant_method.select_quant_method == 'lfq':
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145 lfqMode: 1
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146 lfqSkipNorm: ${pg.quant_method.lfqSkipNorm}
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147 lfqMinEdgesPerNode: ${pg.quant_method.lfqMinEdgesPerNode}
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148 lfqAvEdgesPerNode: ${pg.quant_method.lfqAvEdgesPerNode}
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149 lfqMinRatioCount: ${pg.quant_method.lfqMinRatioCount}
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150 #end if
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151 #if $pg.quant_method.select_quant_method == 'reporter_ion_ms2':
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152 lcmsRunType: 'Reporter ion MS2'
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153 reporterMassTolerance: 0.003
6
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154 reporterPif: ${pg.quant_method.reporter_pif}
4
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155 reporterFraction: 0
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156 reporterBasePeakRatio: 0
6
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157 filterPif: ${pg.quant_method.filter_pif}
4
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158 isobaricLabels:
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159 #if $pg.quant_method.iso_labels.labeling == 'custom':
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160 #for $l in $pg.quant_method.iso_labels.iso_label:
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161 - ['$l.internallabel','$l.terminallabel',$l.cm2,$l.cm1,$l.cp1,$l.cp2,$l.tmtlike]
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162 #end for
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163 #end if
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164 #if $pg.quant_method.iso_labels.labeling == 'tmt2plex':
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165 - [TMT2plex-Lys126,TMT2plex-Nter126,0,0,0,0,True]
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166 - [TMT2plex-Lys127,TMT2plex-Nter127,0,0,0,0,True]
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167 #end if
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168 #if $pg.quant_method.iso_labels.labeling == 'tmt6plex':
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169 - [TMT6plex-Lys126,TMT6plex-Nter126,0,0,0,0,True]
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170 - [TMT6plex-Lys127,TMT6plex-Nter127,0,0,0,0,True]
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171 - [TMT6plex-Lys128,TMT6plex-Nter128,0,0,0,0,True]
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diff changeset
172 - [TMT6plex-Lys129,TMT6plex-Nter129,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
173 - [TMT6plex-Lys130,TMT6plex-Nter130,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
174 - [TMT6plex-Lys131,TMT6plex-Nter131,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
175 #end if
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
176 #if $pg.quant_method.iso_labels.labeling == 'tmt8plex':
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
177 - [TMT8plex-Lys126C,TMT8plex-Nter126C,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
178 - [TMT8plex-Lys127N,TMT8plex-Nter127N,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
179 - [TMT8plex-Lys127C,TMT8plex-Nter127C,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
180 - [TMT8plex-Lys128C,TMT8plex-Nter128C,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
181 - [TMT8plex-Lys129N,TMT8plex-Nter129N,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
182 - [TMT8plex-Lys129C,TMT8plex-Nter129C,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
183 - [TMT8plex-Lys130C,TMT8plex-Nter130C,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
184 - [TMT8plex-Lys131N,TMT8plex-Nter131N,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
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185 #end if
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
186 #if $pg.quant_method.iso_labels.labeling == 'tmt10plex':
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
187 @TMT10PLEX@
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
188 #end if
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
189 #if $pg.quant_method.iso_labels.labeling == 'tmt11plex':
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
190 @TMT10PLEX@
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
191 - [TMT11plex-Lys131C,TMT11plex-Nter131C,0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
192 #end if
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
193 #if $pg.quant_method.iso_labels.labeling == 'itraq4plex':
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
194 - [iTRAQ4plex-Lys114,iTRAQ4plex-Nter114,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
195 - [iTRAQ4plex-Lys115,iTRAQ4plex-Nter115,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
196 - [iTRAQ4plex-Lys116,iTRAQ4plex-Nter116,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
197 - [iTRAQ4plex-Lys117,iTRAQ4plex-Nter117,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
198 #end if
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
199 #if $pg.quant_method.iso_labels.labeling == 'itraq8plex':
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
200 - [iTRAQ4plex-Lys113,iTRAQ8plex-Nter113,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
201 - [iTRAQ4plex-Lys114,iTRAQ8plex-Nter114,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
202 - [iTRAQ4plex-Lys115,iTRAQ8plex-Nter115,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
203 - [iTRAQ4plex-Lys116,iTRAQ8plex-Nter116,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
204 - [iTRAQ4plex-Lys117,iTRAQ8plex-Nter117,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
205 - [iTRAQ4plex-Lys118,iTRAQ8plex-Nter118,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
206 - [iTRAQ4plex-Lys119,iTRAQ8plex-Nter119,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
207 - [iTRAQ4plex-Lys121,iTRAQ8plex-Nter121,0,0,0,0,False]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
208 #end if
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
209 #if $pg.quant_method.iso_labels.labeling == 'iodotmt6plex':
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
210 - [iodoTMT6plex-Cys126,'',0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
211 - [iodoTMT6plex-Cys127,'',0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
212 - [iodoTMT6plex-Cys128,'',0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
213 - [iodoTMT6plex-Cys129,'',0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
214 - [iodoTMT6plex-Cys130,'',0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
215 - [iodoTMT6plex-Cys131,'',0,0,0,0,True]
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
216 #end if
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
217 #end if
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
218 #end for
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
219 </configfile>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
220 <expand macro="ptxqc"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
221 </configfiles>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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222
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
223 <inputs>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
224 <section name="input_opts" title="Input Options" expanded="True">
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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225 <param name="ftype" type="select" label="choose the type of your input files">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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226 <option value=".thermo.raw">thermo.raw</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
227 <option value=".mzxml">mzxml</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
228 <option value=".mzml">mzml</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
229 </param>
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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parents: 0
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230 <param format="fasta" multiple="true" name="fasta_files"
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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diff changeset
231 type="data" label="FASTA files"
6
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
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diff changeset
232 help="Specify one or more FASTA databases."/>
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
233 <param name="identifier_parse_rule" type="text"
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
234 label="identifier parse rule" value="^&gt;.*\|(.*)\|.*$">
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
235 <sanitizer>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
236 <valid initial="string.printable">
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
237 <remove value="&apos;"/>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
238 </valid>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
239 </sanitizer>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
240 </param>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
241 <param name="description_parse_rule" type="text"
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
242 label="description parse rule" value="^&gt;.*\|.*\|[^ ]+ (.*) OS.*$"
5
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
galaxyp
parents: 4
diff changeset
243 help="Modify parse rules if needed.">
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
244 <sanitizer>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
245 <valid initial="string.printable">
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
246 <remove value="&apos;"/>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
247 </valid>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
248 </sanitizer>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
249 </param>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
250 </section>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
251
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
252 <section name="search_opts" title="Search Options" expanded="true">
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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diff changeset
253 <param format="tabular" name="template" type="data" optional="true"
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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diff changeset
254 label="Specify an experimental design template (if needed). For detailed
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255 instructions see the help text."/>
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256 <param type="integer" name="min_peptide_len"
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257 label="minimum peptide length" value="7"
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258 help="Peptides shorter than this value will not be reported nor be considered during protein identification and quantification
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259 short peptides are usually not unique in the protein database and therefore not statistically informative."/>
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260 <param type="integer" name="max_peptide_mass"
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261 label="maximum peptide mass [Da]" value="4600"
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262 help="Peptides that are heavier than this mass will be discarded in the Andromeda search."/>
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263 <param type="integer" name="min_unique_pep"
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264 label="minimum unique peptides" value="0"
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265 help="The minimum number of unique peptides a protein group should have to be considered as identified and reported in the final table."/>
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266 <param name="calc_peak_properties" type="boolean" checked="false"
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267 label="Calculate peak properties"
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268 truevalue="True" falsevalue="False"
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269 help="If checked, several quantities characterizing peaks and isotopes patterns are calculated. This may lead to a substantial increase in computation time."/>
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270 <param name="match_between_runs" type="boolean" checked="false"
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271 label="Match between runs"
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272 truevalue="True" falsevalue="False"
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273 help="Identifications are transferred to non-sequenced or non-identified MS features in other LC-MS runs."/>
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274 <param name="incl_contaminants" type="boolean" checked="true"
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275 label="Include contaminants"
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276 truevalue="True" falsevalue="False"
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277 help="‘Yes’ means that proteins from a contaminant list are automatically added to the list of proteins for in silico digestion (in the fasta file)"/>
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278
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279 </section>
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280
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281 <section name="protein_quant" title="Protein quantification" expanded="true">
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282
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283 <param name="peptides_for_quantification" type="select" label="Peptides for quantification"
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284 help="Specify how the protein ratios will be calculated. When ‘All’ is selected the quantification is done on all peptides. With ‘Unique’, only the peptides unique for that specific protein group are used for quantification. The ‘unique + razor’ mode calculates protein ratios from the unique and razor peptides. Razor peptides are non-unique peptides assigned to the protein group with the most other peptides (Occam’s razor principle).">
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285 <option value="0">All</option>
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286 <option value="1" selected="true">Unique + razor</option>
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287 <option value="2">Unique</option>
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288 </param>
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289
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290 <conditional name="only_unmod_prot">
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291 <param name="unmod_prot" type="select"
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292 label="Use only unmodified peptides"
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293 help="Indicate here which kind of peptides should be used for protein quantification. If ‘No’, all peptides are used irrespective of their modification state. If ‘Yes’, all unmodified peptides are used plus those peptides that have only the modifications specified in the field below.">
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294 <option value="False">No</option>
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295 <option value="True" selected="true">Yes</option>
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296 </param>
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297 <when value="True">
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298 <param name="mods_used_prot_quant" type="select" multiple="true"
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299 label="Modifications used in protein quantification"
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300 help="Peptides containing only these modifications will be used for the quantification of proteins in addition to unmodified peptides. This includes ratio and intensity calculations including iBAQ">
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301 <expand macro="modification"/>
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302 </param>
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303 <!-- note: the following default is different to the mquant default -->
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304 <param name="discard_unmod_cpart_peptides" type="boolean" label="Discard unmodified counterpart peptides" checked="true"
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305 truevalue="True" falsevalue="False"
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306 help="If selected, also unmodified peptides will be discarded for which a modified counterpart has been identified with a modification that is not specified in the field above."/>
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307 </when>
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308 <when value="False">
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309 </when>
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310 </conditional>
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311
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312 <section name="lfq_opts" title="LFQ Options" expanded="false">
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313 <param name="separateLfq" type="boolean" checked="false"
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314 label="Separate LFQ in parameter Groups"
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315 truevalue="True" falsevalue="False"
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316 help="The MaxLFQ algorithm will be applied independently to samples in different parameter groups."/>
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317 <param name="lfqStabilizeLargeRatios" type="boolean" checked="true"
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318 label="Stabilize large LFQ ratios"
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319 truevalue="True" falsevalue="False"
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320 help="Large protein ratios will get an admixture of the total protein intensity ratio as described in the MaxLFQ paper"/>
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321 <param name="lfqRequireMsms" type="boolean" checked="true"
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322 label="Require MS/MS for LFQ comparisons"
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323 truevalue="True" falsevalue="False"
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324 help="Requires for each pari-wise peptide intensity comparison that at least one of two peptides has been identified by MS/MS"/>
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325 <conditional name="do_ibaq">
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326 <param name="ibaq" type="select"
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327 label="iBAQ (calculates absolute protein abundances by normalizing to copy number and not protein mass)">
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328 <option value="False">No</option>
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329 <option value="True">Yes</option>
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330 </param>
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331 <when value="True">
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332 <param name="ibaqLogFit" type="boolean" checked="true"
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333 label="Logarithmic fit"
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334 truevalue="True" falsevalue="False"/>
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335 </when>
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336 <when value="False">
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337 </when>
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338 </conditional>
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339 <param name="advancedSiteIntensities" type="boolean" checked="true"
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diff changeset
340 label="Advanced site intensities"
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diff changeset
341 truevalue="True" falsevalue="False"/>
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diff changeset
342 </section>
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343
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diff changeset
344 </section>
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345
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346
4
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parents: 3
diff changeset
347 <repeat name="paramGroups" title="Parameter Group" min="1" default="1">
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348 <param type="data" format="thermo.raw,mzXML,mzML" name="files" label="Infiles" multiple="true"
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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349 help="Only select infiles matching the filetype specified in the input options."/>
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parents: 3
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350 <param type="integer" name="maxMissedCleavages"
6
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diff changeset
351 label="missed cleavages" value="2"
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parents: 5
diff changeset
352 help="The number of missed cleavages that are maximally tolerated in the in-silico digestion of the protien sequences."/>
4
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353 <param name="fixedModifications" type="select" label="fixed modifications"
6
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parents: 5
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354 multiple="true"
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parents: 5
diff changeset
355 help="Select zero or more fixed modifications. They will always be attached to any occurence of the respective amino acid.">
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parents: 5
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356 <expand macro="modification"/>
4
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parents: 3
diff changeset
357 <expand macro="default_mod_option" value="Carbamidomethyl (C)"/>
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diff changeset
358 </param>
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359 <param name="variableModifications" type="select" label="variable modifications"
6
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parents: 5
diff changeset
360 multiple="true"
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parents: 5
diff changeset
361 help="Select zero or more variable modifications. Do not specify label modifications here, neither ms1 level labels, like SILAC, nor isobaric labels.">
4
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parents: 3
diff changeset
362 <expand macro="default_mod_option" value="Oxidation (M)"/>
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363 <expand macro="default_mod_option" value="Acetyl (Protein N-term)"/>
6
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parents: 5
diff changeset
364 <expand macro="modification"/>
0
d4b6c9eae635 Initial commit.
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parents:
diff changeset
365 </param>
5
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parents: 4
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366 <param name="enzymes" type="select" label="enzyme"
6
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367 multiple="true"
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368 help="Select zero or more enzymes. The enzymes used for generating the in silico peptides for the Andromeda search.">
4
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369 <expand macro="default_mod_option" value="Trypsin/P"/>
6
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diff changeset
370 <expand macro="proteases"/>
1
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parents: 0
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371 </param>
6
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diff changeset
372 <param name="digestion_mode" type="select" label="Digestion mode"
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373 help="'Unspecific means that no cleavage rule is applied but instead all peptides up to a maximal length are considered">
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374 <option value="0" selected="true">Specific</option>
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diff changeset
375 <option value="1">Semi-specific free N-terminus</option>
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parents: 5
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376 <option value="2">Semi-specific free C-terminus</option>
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377 <option value="3">Semi-specific</option>
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378 <option value="4">Unspecific</option>
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379 <option value="5">No digestion</option>
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diff changeset
380 </param>
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381
4
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diff changeset
382 <conditional name="quant_method">
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383 <param name="select_quant_method" type="select" label="Quantitation Methods"
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
384 help="Select a method if needed.">
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385 <option value="">None</option>
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386 <option value="lfq">label free quantification</option>
5
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387 <option value="silac">label based quantification</option>
4
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388 <option value="reporter_ion_ms2">reporter ion MS2</option>
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389 </param>
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diff changeset
390 <when value=""/>
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391 <when value="silac">
6
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392 <param name="light_labels" type="select" label="light labels"
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393 multiple="true" help="Select zero or more light modifications.">
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diff changeset
394 <expand macro="label"/>
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diff changeset
395 </param>
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396 <param name="medium_labels" type="select" label="medium labels"
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397 multiple="true"
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diff changeset
398 help="Select zero modifications if you have two labels. Select a medium modification if you have three labels.">
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parents: 5
diff changeset
399 <expand macro="label"/>
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400 </param>
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401 <param name="heavy_labels" type="select" label="heavy labels"
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
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402 multiple="true" help="Select zero or more heavy modifications.">
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parents: 5
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403 <expand macro="label"/>
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parents: 5
diff changeset
404 </param>
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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parents: 3
diff changeset
405 </when>
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406 <when value="lfq">
6
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parents: 5
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407 <param type="integer" name="lfqMinRatioCount"
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408 label="LFQ minimum ratio count" value="2"
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409 help="Minimum number of peptides that has to be available in pair-wise comparisons between two samples for a protein."/>
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parents: 5
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410 <param type="integer" name="lfqMinEdgesPerNode"
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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parents: 5
diff changeset
411 label="LFQ minimum number of neighbours" value="3"
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galaxyp
parents: 5
diff changeset
412 help="Defines the network to normalize the samples in the fast LFQ mode."/>
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
413 <param type="integer" name="lfqAvEdgesPerNode"
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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414 label="LFQ average number of neighbours" value="6"
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parents: 5
diff changeset
415 help="Defines the network to normalize the samples in the fast LFQ mode."/>
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416 <param type="boolean" name="lfqSkipNorm" checked="true"
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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417 label="Skip normalization"
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418 truevalue="True" falsevalue="False"
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419 help="If checked the high-speed version of MaxLFQ is used. This is recommended for large numbers of samples (Experiments). For less than 10 samples the original MaxLFQ normalization algorithm is used."/>
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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420 </when>
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421 <when value="reporter_ion_ms2">
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diff changeset
422 <conditional name="iso_labels">
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423 <param name="labeling" type="select" label="isobaric labeling"
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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424 help="Select one of the standard labelings (correction factors are zero) or create a custom labeling.">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
425 <option value="custom">custom</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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426 <option value="tmt2plex">TMT2plex</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
427 <option value="tmt6plex">TMT6plex</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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428 <option value="tmt8plex">TMT8plex</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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429 <option value="tmt10plex">TMT10plex</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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430 <option value="tmt11plex">TMT11plex</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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431 <option value="itraq4plex">iTRAQ4plex</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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432 <option value="itraq8plex">iTRAQ8plex</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
433 <option value="iodotmt6plex">iodoTMT6plex</option>
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diff changeset
434 </param>
6
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435
4
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parents: 3
diff changeset
436 <when value="tmt2plex"></when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
437 <when value="tmt6plex"></when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
438 <when value="tmt8plex"></when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
439 <when value="tmt10plex"></when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
440 <when value="tmt11plex"></when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
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441 <when value="itraq4plex"></when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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parents: 3
diff changeset
442 <when value="itraq8plex"></when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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parents: 3
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443 <when value="iodotmt6plex"></when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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444 <when value="custom">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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445 <repeat name="iso_label" title="Isobaric Label" min="1" default="1">
5
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diff changeset
446 <param name="internallabel" type="select" label="internal label" help="contains Lys">
6
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parents: 5
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447 <expand macro="iso_labels"/>
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parents: 5
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448 </param>
5
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449 <param name="terminallabel" type="select" label="terminal label" help="contains Nter">
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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450 <option value="">None</option>
6
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galaxyp
parents: 5
diff changeset
451 <expand macro="iso_labels"/>
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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diff changeset
452 </param>
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
453 <param name="cm2" type="float" label="correction factor -2%" value="0.0"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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454 <param name="cm1" type="float" label="correction factor -1%" value="0.0"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
455 <param name="cp1" type="float" label="correction factor +1%" value="0.0"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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456 <param name="cp2" type="float" label="correction factor +2%" value="0.0"/>
6
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galaxyp
parents: 5
diff changeset
457 <param type="boolean" name="tmtlike" checked="false"
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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diff changeset
458 label="TMT-like"
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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diff changeset
459 truevalue="True" falsevalue="False"/>
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
460 </repeat>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
461 </when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
462 </conditional>
6
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galaxyp
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diff changeset
463 <param name="filter_pif" type="boolean" checked="false" label="Filter by PIF"
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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464 truevalue="True" falsevalue="False"
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465 help="If checked, quantified PSMs will be filtered by their precursor intensity fraction to avoid using peptides that clearly suffer from co-fragmentation with other peptide species."/>
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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466 <param name="reporter_pif" type="float" label="Minimum reporter PIF" value="0.75" min="0" max="1"
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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467 help="MS/MS spectra with a lower value for the PIF will be discarded for isobaric label quantification."/>
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
468 </when>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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469 </conditional>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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470 </repeat>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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471
6
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diff changeset
472 <expand macro="ptxqc-opts"/>
0
d4b6c9eae635 Initial commit.
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parents:
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473
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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474 <section title="Output Options" name="output_opts" expanded="true">
4
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475 <param name="dry_run" type="boolean" checked="false"
6
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476 label="Only create config files? (i.e. for testing)"
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
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diff changeset
477 truevalue="True" falsevalue=""/>
1
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478 <param type="select" name="output" label="Select the desired outputs."
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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479 multiple="true" optional="false">
4
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480 <option value="proteinGroups">Protein Groups</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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481 <option value="mqpar">mqpar.xml</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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482 <option value="peptides">Peptides</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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483 <option value="evidence">Evidence</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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484 <option value="parameters">Tabular Paramters</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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485 <option value="msms">MSMS</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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486 <option value="mzTab">mzTab</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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487 <option value="allPeptides">all peptides</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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488 <option value="libraryMatch">library match</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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489 <option value="matchedFeatures">matched features</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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490 <option value="modificationSpecificPeptides">modification specific peptides</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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491 <option value="ms3Scans">ms3 scans</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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492 <option value="msmsScans">msms scans</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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493 <option value="mzRange">mz range</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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494 <option value="peptideSection">peptide section</option>
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495 <option value="summary">summary</option>
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496 <option value="output_all">complete 'combined/txt/' directory (compressed)</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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497 <option value="log">MaxQuant and PTXQC log</option>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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498 <option value="config">yaml config file</option>
1
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499 </param>
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500 </section>
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501 </inputs>
4
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diff changeset
502
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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503 <expand macro="outputs"/>
1
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galaxyp
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504
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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505 <tests>
4
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506 <!-- functional test with small mzXML file, no quantitation methods -->
6
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507 <!-- Disable this test when initally testing as it takes avery long tome to run -->
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
508 <test expect_num_outputs="15">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
509 <param name="ftype" value=".mzxml" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
510 <param name="fasta_files" value="bsa.fasta" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
511 <param name="identifier_parse_rule" value="&gt;([^\s]*)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
512 <param name="description_parse_rule" value="&gt;(.*)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
513 <repeat name="paramGroups">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
514 <param name="files" value="BSA_min_23.mzXML"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
515 <param name="maxMissedCleavages" value="1"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
516 <param name="fixedModifications" value="Carbamidomethyl (C)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
517 <param name="variableModifications" value="Oxidation (M)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
518 <param name="enzymes" value="Trypsin/P" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
519 </repeat>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
520 <param name="output" value="evidence,msms,allPeptides,msmsScans,mzTab,mzRange,parameters,peptides,peptideSection,proteinGroups,summary,modificationSpecificPeptides,output_all,config,mqpar" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
521 <output name="mqpar" file="01/mqpar.xml" lines_diff="6"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
522 <output name="evidence" file="01/combined/txt/evidence.txt" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
523 <output name="msms" file="01/combined/txt/msms.txt" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
524 <output name="mzTab" file="01/combined/txt/mzTab.mzTab" lines_diff="4"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
525 <output name="allPeptides" file="01/combined/txt/allPeptides.txt" lines_diff="4"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
526 <output name="msmsScans" file="01/combined/txt/msmsScans.txt" lines_diff="8"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
527 <output name="mzRange" file="01/combined/txt/mzRange.txt" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
528 <output name="parameters" file="01/combined/txt/parameters.txt" lines_diff="10"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
529 <output name="peptides" file="01/combined/txt/peptides.txt" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
530 <output name="peptideSection" file="01/combined/txt/peptideSection.txt" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
531 <output name="proteinGroups" file="01/combined/txt/proteinGroups.txt" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
532 <output name="summary" file="01/combined/txt/summary.txt" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
533 <output name="modificationSpecificPeptides" file="01/combined/txt/modificationSpecificPeptides.txt" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
534 <output name="config" file="01/config.yml" lines_diff="2"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
535 </test>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
536 <!-- reporter ion ms2 + multiple param groups, testing yaml conf file and mqpar.xml only -->
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
537 <test expect_num_outputs="3">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
538 <param name="ftype" value=".mzxml" />
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
539 <param name="fasta_files" value="bsa.fasta" />
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
540 <param name="identifier_parse_rule" value="&gt;([^\s]*)" />
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
541 <param name="description_parse_rule" value="&gt;(.*)" />
6
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
542 <param name="incl_contaminants" value="False" /> <!-- non-default value -->
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
543 <section name="protein_quant">
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
544 <param name="peptides_for_quantification" value="0"/><!-- non-default value -->
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
545 <conditional name="only_unmod_prot">
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
546 <param name="unmod_prot" value="True"/>
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
547 <param name="mods_used_prot_quant" value="Pro5,Pro6"/>
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
548 </conditional>
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
549 </section>
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
550 <repeat name="paramGroups">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
551 <param name="files" value="BSA_min_23.mzXML"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
552 <param name="variableModifications" value="Oxidation (M)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
553 <param name="fixedModifications" value="" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
554 <conditional name="quant_method">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
555 <param name="select_quant_method" value="reporter_ion_ms2" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
556 <conditional name="iso_labels">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
557 <param name="labeling" value="custom" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
558 <repeat name="iso_label">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
559 <param name="internallabel" value="TMT2plex-Lys126" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
560 <param name="terminallabel" value="TMT2plex-Nter126" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
561 <param name="tmtlike" value="True" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
562 <param name="cp1" value="6.7" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
563 <param name="cp2" value="3" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
564 </repeat>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
565 <repeat name="iso_label">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
566 <param name="internallabel" value="TMT2plex-Lys127" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
567 <param name="terminallabel" value="TMT2plex-Nter127" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
568 <param name="tmtlike" value="True" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
569 </repeat>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
570 </conditional>
6
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
571 <param name="filter_pif" value="False" />
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
572 <param name="reporter_pif" value="0.6" />
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
573 </conditional>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
574 </repeat>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
575 <repeat name="paramGroups">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
576 <param name="files" value="BSA_min_22"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
577 <param name="variableModifications" value="" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
578 <param name="fixedModifications" value="" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
579 <param name="enzymes" value="" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
580 <conditional name="quant_method">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
581 <param name="select_quant_method" value="reporter_ion_ms2" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
582 <conditional name="iso_labels">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
583 <param name="labeling" value="itraq4plex" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
584 </conditional>
6
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
585 <param name="filter_pif" value="True" />
2133b0be850a "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 4e77eeda8a112fb50af00325a5164b986c16fc5c"
galaxyp
parents: 5
diff changeset
586 <param name="reporter_pif" value="0.8" />
4
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
587 </conditional>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
588 </repeat>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
589 <param name="dry_run" value="True" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
590 <param name="output" value="config,mqpar,mzTab" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
591 <output name="config" file="02/config.yml" lines_diff="2" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
592 <!-- high difference due to unconsistant xml formatting in MQ -->
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
593 <output name="mqpar" file="02/mqpar.xml" lines_diff="24" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
594 </test>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
595 <!-- lfq, testing yaml conf file and mqpar.xml only -->
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
596 <test expect_num_outputs="2">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
597 <param name="ftype" value=".mzxml" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
598 <param name="fasta_files" value="bsa.fasta" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
599 <param name="min_unique_pep" value="1" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
600 <param name="ibaq" value="True" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
601 <param name="ibaqLogFit" value="False" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
602 <repeat name="paramGroups">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
603 <param name="files" value="BSA_min_22"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
604 <param name="maxMissedCleavages" value="1"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
605 <param name="variableModifications" value="Oxidation (M)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
606 <conditional name="quant_method">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
607 <param name="select_quant_method" value="lfq" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
608 </conditional>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
609 </repeat>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
610 <param name="dry_run" value="True" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
611 <param name="output" value="config,mqpar" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
612 <output name="config" file="03/config.yml" lines_diff="2" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
613 <output name="mqpar" file="03/mqpar.xml" lines_diff="10" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
614 </test>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
615 <!-- silac + fractions with experimental design template, testing yaml conf file and mqpar.xml only -->
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
616 <test expect_num_outputs="2">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
617 <param name="ftype" value=".mzxml" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
618 <param name="fasta_files" value="bsa.fasta" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
619 <param name="identifier_parse_rule" value="&gt;([^\s]*)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
620 <param name="description_parse_rule" value="&gt;(.*)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
621 <param name="template" value="04/exp_design" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
622 <repeat name="paramGroups">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
623 <param name="files" value="BSA_min_23.mzXML,BSA_min_22"/>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
624 <param name="fixedModifications" value="Carbamidomethyl (C)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
625 <param name="variableModifications" value="Oxidation (M)" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
626 <param name="enzymes" value="Trypsin/P" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
627 <conditional name="quant_method">
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
628 <param name="select_quant_method" value="silac" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
629 <param name="light_labels" value="Arg6,Lys4" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
630 <param name="heavy_labels" value="Arg10,DimethLys8" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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diff changeset
631 </conditional>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
632 </repeat>
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
633 <param name="dry_run" value="True" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
parents: 3
diff changeset
634 <param name="output" value="config,mqpar" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
635 <output name="config" file="04/config.yml" lines_diff="2" />
dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
galaxyp
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diff changeset
636 <output name="mqpar" file="04/mqpar.xml" lines_diff="12" />
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
637 </test>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
638 </tests>
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
639
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
640 <help><![CDATA[
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
641 MaxQuant is a quantitative proteomics software package designed for analyzing large mass-spectrometric data sets.
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
642
5
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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parents: 4
diff changeset
643 This tool is a wrapper for MaxQuant v@VERSION@. The current version of the wrapper only supports a reduced set of parameters, but another version of the tool that gets its parameters directly from a mqpar.xml file is available, too.
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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diff changeset
644
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
645 **Input files**
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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diff changeset
646
5
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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diff changeset
647 - Thermo raw, mzML, mzXMLfiles (in parameter group section)
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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diff changeset
648
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
galaxyp
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diff changeset
649 - The datatype of all files has to be either 'thermo.raw', 'mzML' or 'mzXML'. Make sure to specify the correct datatype either during upload to Galaxy or afterwards (edit attributes --> datatypes)
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
galaxyp
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diff changeset
650 - Fasta file: specify parse rules accordingly, default rules are compatible with uniprot
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
651 - Optional files:
5
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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diff changeset
652
3
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
parents: 1
diff changeset
653 - Tabular file with experimental design template:
5
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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diff changeset
654
3
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
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diff changeset
655 - Currently four columns are needed: Name, Fraction, Experiment and PTM. The headers must have this exact naming. Name and Experiment are abitrary strings, Fraction is an integer or emtpy, PTM is either 'True', 'False' or empty. Consider you uploaded files named File1.mzxml, ..., File5.mzxml. This is a (syntactically) correct experimental design template:
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
656
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
657 ::
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
658
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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diff changeset
659 Name Fraction Experiment PTM
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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diff changeset
660 File1 1 E1 False
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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diff changeset
661 File2 2 E1 False
3
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
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parents: 1
diff changeset
662 ghost 234 none
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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diff changeset
663 File3 3 E1 False
5
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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diff changeset
664 File4 E2 True
3
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
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parents: 1
diff changeset
665 File5 E1
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
parents: 1
diff changeset
666
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
parents: 1
diff changeset
667 - This is the counter-example with one error per line:
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
parents: 1
diff changeset
668
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
parents: 1
diff changeset
669 ::
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
parents: 1
diff changeset
670
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
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diff changeset
671 Name Fraction Experiment PTM
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
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diff changeset
672 File1 1 E1 no (wrong PTM value)
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
parents: 1
diff changeset
673 File2.mzxml 1 E2 (filename with extension)
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
parents: 1
diff changeset
674 File3 f3 E1 (fraction not an integer)
175e062b6a17 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 74b5aa29e49deaaebe19ce2355a70d4f570f4951"
galaxyp
parents: 1
diff changeset
675 File4 1 (missing experiment)
5
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
galaxyp
parents: 4
diff changeset
676 (File5 missing)
1
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
parents: 0
diff changeset
677
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
galaxyp
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678 **Parameter Options**
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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679
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7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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680 - Quantitation methods (in section parameter groups)
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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681
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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682 - label free (LFQ): Protein intensity will be reported as 'LFQ intensity' columns in the proteinGroups table
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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683 - label based: quantifies MS1 labelled samples ('SILAC', 'Dimethyl', 'ICAT', 'ICPL', 'mTRAQ', '18 O')
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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684
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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685 - for two channels: choose options from light and heavy sections
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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686 - for three channels: choose options from light, medium and heavy sections
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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687 - reporter ion ms2: quantifies conventional isobaric labelling samples. Either use the pre-defined labellings with correction factors set to 0 or specify a custom labelling
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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688 - PTXQC quality control: quality control software creates an automatic quality control pdf report
7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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689
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8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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690
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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691 **Output files**
8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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692
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7f432d87c82c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit dad20a951ffa71a4b98fd851e496b50cd423e0a3"
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693 Different output file options are available, most of them are part of the MaxQuant txt directory.
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8bac3cc5c5de planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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694 ]]></help>
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dcd39bcc7481 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"
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695 <expand macro="citations"/>
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d4b6c9eae635 Initial commit.
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696 </tool>