Mercurial > repos > galaxyp > openms_isobaricanalyzer
diff IsobaricAnalyzer.xml @ 0:916f41a35640 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit fb85d488133bb2b5f483b52b2db0ac66038fafb8
author | galaxyp |
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date | Wed, 01 Mar 2017 12:22:29 -0500 |
parents | |
children | 125774c3e8aa |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/IsobaricAnalyzer.xml Wed Mar 01 12:22:29 2017 -0500 @@ -0,0 +1,546 @@ +<?xml version='1.0' encoding='UTF-8'?> +<!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.--> +<!--Proposed Tool Section: [Quantitation]--> +<tool id="IsobaricAnalyzer" name="IsobaricAnalyzer" version="2.1.0"> + <description>Calculates isobaric quantitative values for peptides</description> + <macros> + <token name="@EXECUTABLE@">IsobaricAnalyzer</token> + <import>macros.xml</import> + </macros> + <expand macro="references"/> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>IsobaricAnalyzer + +#if $param_type: + -type $param_type +#end if +#if $param_in: + -in $param_in +#end if +#if $param_out: + -out $param_out +#end if +#if $param_id_pool: + -id_pool "$param_id_pool" +#end if +#if $param_extraction_select_activation: + -extraction:select_activation $param_extraction_select_activation +#end if +#if $param_extraction_reporter_mass_shift: + -extraction:reporter_mass_shift $param_extraction_reporter_mass_shift +#end if +#if $param_extraction_min_precursor_intensity: + -extraction:min_precursor_intensity $param_extraction_min_precursor_intensity +#end if +#if $param_extraction_keep_unannotated_precursor: + -extraction:keep_unannotated_precursor $param_extraction_keep_unannotated_precursor +#end if +#if $param_extraction_min_reporter_intensity: + -extraction:min_reporter_intensity $param_extraction_min_reporter_intensity +#end if +#if $param_extraction_discard_low_intensity_quantifications: + -extraction:discard_low_intensity_quantifications +#end if +#if $param_extraction_min_precursor_purity: + -extraction:min_precursor_purity $param_extraction_min_precursor_purity +#end if +#if $param_itraq4plex_channel_114_description: + -itraq4plex:channel_114_description "$param_itraq4plex_channel_114_description" +#end if +#if $param_itraq4plex_channel_115_description: + -itraq4plex:channel_115_description "$param_itraq4plex_channel_115_description" +#end if +#if $param_itraq4plex_channel_116_description: + -itraq4plex:channel_116_description "$param_itraq4plex_channel_116_description" +#end if +#if $param_itraq4plex_channel_117_description: + -itraq4plex:channel_117_description "$param_itraq4plex_channel_117_description" +#end if +#if $param_itraq4plex_reference_channel: + -itraq4plex:reference_channel $param_itraq4plex_reference_channel +#end if + +#if $rep_param_itraq4plex_correction_matrix: +-itraq4plex:correction_matrix + #for token in $rep_param_itraq4plex_correction_matrix: + #if " " in str(token): + "$token.param_itraq4plex_correction_matrix" + #else + $token.param_itraq4plex_correction_matrix + #end if + #end for +#end if +#if $param_itraq8plex_channel_113_description: + -itraq8plex:channel_113_description "$param_itraq8plex_channel_113_description" +#end if +#if $param_itraq8plex_channel_114_description: + -itraq8plex:channel_114_description "$param_itraq8plex_channel_114_description" +#end if +#if $param_itraq8plex_channel_115_description: + -itraq8plex:channel_115_description "$param_itraq8plex_channel_115_description" +#end if +#if $param_itraq8plex_channel_116_description: + -itraq8plex:channel_116_description "$param_itraq8plex_channel_116_description" +#end if +#if $param_itraq8plex_channel_117_description: + -itraq8plex:channel_117_description "$param_itraq8plex_channel_117_description" +#end if +#if $param_itraq8plex_channel_118_description: + -itraq8plex:channel_118_description "$param_itraq8plex_channel_118_description" +#end if +#if $param_itraq8plex_channel_119_description: + -itraq8plex:channel_119_description "$param_itraq8plex_channel_119_description" +#end if +#if $param_itraq8plex_channel_121_description: + -itraq8plex:channel_121_description "$param_itraq8plex_channel_121_description" +#end if +#if $param_itraq8plex_reference_channel: + -itraq8plex:reference_channel $param_itraq8plex_reference_channel +#end if + +#if $rep_param_itraq8plex_correction_matrix: +-itraq8plex:correction_matrix + #for token in $rep_param_itraq8plex_correction_matrix: + #if " " in str(token): + "$token.param_itraq8plex_correction_matrix" + #else + $token.param_itraq8plex_correction_matrix + #end if + #end for +#end if +#if $param_quantification_isotope_correction: + -quantification:isotope_correction $param_quantification_isotope_correction +#end if +#if $param_quantification_normalization: + -quantification:normalization +#end if +#if $param_tmt10plex_channel_126_description: + -tmt10plex:channel_126_description "$param_tmt10plex_channel_126_description" +#end if +#if $param_tmt10plex_channel_127N_description: + -tmt10plex:channel_127N_description "$param_tmt10plex_channel_127N_description" +#end if +#if $param_tmt10plex_channel_127C_description: + -tmt10plex:channel_127C_description "$param_tmt10plex_channel_127C_description" +#end if +#if $param_tmt10plex_channel_128N_description: + -tmt10plex:channel_128N_description "$param_tmt10plex_channel_128N_description" +#end if +#if $param_tmt10plex_channel_128C_description: + -tmt10plex:channel_128C_description "$param_tmt10plex_channel_128C_description" +#end if +#if $param_tmt10plex_channel_129N_description: + -tmt10plex:channel_129N_description "$param_tmt10plex_channel_129N_description" +#end if +#if $param_tmt10plex_channel_129C_description: + -tmt10plex:channel_129C_description "$param_tmt10plex_channel_129C_description" +#end if +#if $param_tmt10plex_channel_130N_description: + -tmt10plex:channel_130N_description "$param_tmt10plex_channel_130N_description" +#end if +#if $param_tmt10plex_channel_130C_description: + -tmt10plex:channel_130C_description "$param_tmt10plex_channel_130C_description" +#end if +#if $param_tmt10plex_channel_131_description: + -tmt10plex:channel_131_description "$param_tmt10plex_channel_131_description" +#end if +#if $param_tmt10plex_reference_channel: + -tmt10plex:reference_channel $param_tmt10plex_reference_channel +#end if + +#if $rep_param_tmt10plex_correction_matrix: +-tmt10plex:correction_matrix + #for token in $rep_param_tmt10plex_correction_matrix: + #if " " in str(token): + "$token.param_tmt10plex_correction_matrix" + #else + $token.param_tmt10plex_correction_matrix + #end if + #end for +#end if +#if $param_tmt6plex_channel_126_description: + -tmt6plex:channel_126_description "$param_tmt6plex_channel_126_description" +#end if +#if $param_tmt6plex_channel_127_description: + -tmt6plex:channel_127_description "$param_tmt6plex_channel_127_description" +#end if +#if $param_tmt6plex_channel_128_description: + -tmt6plex:channel_128_description "$param_tmt6plex_channel_128_description" +#end if +#if $param_tmt6plex_channel_129_description: + -tmt6plex:channel_129_description "$param_tmt6plex_channel_129_description" +#end if +#if $param_tmt6plex_channel_130_description: + -tmt6plex:channel_130_description "$param_tmt6plex_channel_130_description" +#end if +#if $param_tmt6plex_channel_131_description: + -tmt6plex:channel_131_description "$param_tmt6plex_channel_131_description" +#end if +#if $param_tmt6plex_reference_channel: + -tmt6plex:reference_channel $param_tmt6plex_reference_channel +#end if + +#if $rep_param_tmt6plex_correction_matrix: +-tmt6plex:correction_matrix + #for token in $rep_param_tmt6plex_correction_matrix: + #if " " in str(token): + "$token.param_tmt6plex_correction_matrix" + #else + $token.param_tmt6plex_correction_matrix + #end if + #end for +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_force: + -force +#end if + #if $adv_opts.param_extraction_precursor_isotope_deviation: + -extraction:precursor_isotope_deviation $adv_opts.param_extraction_precursor_isotope_deviation +#end if + #if $adv_opts.param_extraction_purity_interpolation: + -extraction:purity_interpolation $adv_opts.param_extraction_purity_interpolation +#end if +#end if +</command> + <inputs> + <param name="param_type" display="radio" type="select" optional="False" value="itraq4plex" label="Isobaric Quantitation method used in the experiment" help="(-type) "> + <option value="itraq4plex" selected="true">itraq4plex</option> + <option value="itraq8plex">itraq8plex</option> + <option value="tmt10plex">tmt10plex</option> + <option value="tmt6plex">tmt6plex</option> + </param> + <param name="param_in" type="data" format="mzml" optional="False" label="input raw/picked data file" help="(-in) "/> + <param name="param_id_pool" type="text" size="30" label="ID pool file to DocumentID's for all generated output files" help="(-id_pool) Disabled by default. (Set to 'main' to use /home/ubuntu/miniconda3/envs/py2test/share/OpenMS/IDPool/IDPool.txt)"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_extraction_select_activation" type="select" optional="False" value="High-energy collision-induced dissociation" label="Operate only on MSn scans where any of its precursors features a certain activation method (" help="(-select_activation) e.g., usually HCD for iTRAQ). Set to empty string if you want to disable filtering"> + <option value="Collision-induced dissociation">Collision-induced dissociation</option> + <option value="Post-source decay">Post-source decay</option> + <option value="Plasma desorption">Plasma desorption</option> + <option value="Surface-induced dissociation">Surface-induced dissociation</option> + <option value="Blackbody infrared radiative dissociation">Blackbody infrared radiative dissociation</option> + <option value="Electron capture dissociation">Electron capture dissociation</option> + <option value="Infrared multiphoton dissociation">Infrared multiphoton dissociation</option> + <option value="Sustained off-resonance irradiation">Sustained off-resonance irradiation</option> + <option value="High-energy collision-induced dissociation" selected="true">High-energy collision-induced dissociation</option> + <option value="Low-energy collision-induced dissociation">Low-energy collision-induced dissociation</option> + <option value="Photodissociation">Photodissociation</option> + <option value="Electron transfer dissociation">Electron transfer dissociation</option> + <option value=""></option> + </param> + <param name="param_extraction_reporter_mass_shift" type="float" min="1e-08" max="0.5" optional="True" value="0.1" label="Allowed shift (left to right) in Da from the expected position" help="(-reporter_mass_shift) "/> + <param name="param_extraction_min_precursor_intensity" type="float" min="0.0" optional="True" value="1.0" label="Minimum intensity of the precursor to be extracted" help="(-min_precursor_intensity) MS/MS scans having a precursor with a lower intensity will not be considered for quantitation"/> + <param name="param_extraction_keep_unannotated_precursor" display="radio" type="select" optional="False" value="true" label="Flag if precursor with missing intensity value or missing precursor spectrum should be included or not" help="(-keep_unannotated_precursor) "> + <option value="true" selected="true">true</option> + <option value="false">false</option> + </param> + <param name="param_extraction_min_reporter_intensity" type="float" min="0.0" optional="True" value="0.0" label="Minimum intensity of the individual reporter ions to be extracted" help="(-min_reporter_intensity) "/> + <param name="param_extraction_discard_low_intensity_quantifications" display="radio" type="boolean" truevalue="-extraction:discard_low_intensity_quantifications" falsevalue="" checked="false" optional="True" label="Remove all reporter intensities if a single reporter is below the threshold given in 'min_reporter_intensity'" help="(-discard_low_intensity_quantifications) "/> + <param name="param_extraction_min_precursor_purity" type="float" min="0.0" max="1.0" optional="True" value="0.0" label="Minimum fraction of the total intensity in the isolation window of the precursor spectrum attributable to the selected precurso" help="(-min_precursor_purity) "/> + <param name="param_itraq4plex_channel_114_description" type="text" size="30" label="Description for the content of the 114 channel" help="(-channel_114_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq4plex_channel_115_description" type="text" size="30" label="Description for the content of the 115 channel" help="(-channel_115_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq4plex_channel_116_description" type="text" size="30" label="Description for the content of the 116 channel" help="(-channel_116_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq4plex_channel_117_description" type="text" size="30" label="Description for the content of the 117 channel" help="(-channel_117_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq4plex_reference_channel" type="integer" min="114" max="117" optional="True" value="114" label="Number of the reference channel (114-117)" help="(-reference_channel) "/> + <repeat name="rep_param_itraq4plex_correction_matrix" min="0" max="1" title="param_itraq4plex_correction_matrix"> + <param name="param_itraq4plex_correction_matrix" type="text" size="30" value="0.0/1.0/5.9/0.2 0.0/2.0/5.6/0.1 0.0/3.0/4.5/0.1 0.1/4.0/3.5/0.1" label="Correction matrix for isotope distributions (see documentation); use the following format: <-2Da>/<-1Da>/<+1Da>/<+2Da>;" help="(-correction_matrix) e.g. '0/0.3/4/0', '0.1/0.3/3/0.2'"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + </repeat> + <param name="param_itraq8plex_channel_113_description" type="text" size="30" label="Description for the content of the 113 channel" help="(-channel_113_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq8plex_channel_114_description" type="text" size="30" label="Description for the content of the 114 channel" help="(-channel_114_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq8plex_channel_115_description" type="text" size="30" label="Description for the content of the 115 channel" help="(-channel_115_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq8plex_channel_116_description" type="text" size="30" label="Description for the content of the 116 channel" help="(-channel_116_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq8plex_channel_117_description" type="text" size="30" label="Description for the content of the 117 channel" help="(-channel_117_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq8plex_channel_118_description" type="text" size="30" label="Description for the content of the 118 channel" help="(-channel_118_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq8plex_channel_119_description" type="text" size="30" label="Description for the content of the 119 channel" help="(-channel_119_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq8plex_channel_121_description" type="text" size="30" label="Description for the content of the 121 channel" help="(-channel_121_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_itraq8plex_reference_channel" type="integer" min="113" max="121" optional="True" value="113" label="Number of the reference channel (113-121)" help="(-reference_channel) Please note that 120 is not valid"/> + <repeat name="rep_param_itraq8plex_correction_matrix" min="0" max="1" title="param_itraq8plex_correction_matrix"> + <param name="param_itraq8plex_correction_matrix" type="text" size="30" value="0.00/0.00/6.89/0.22 0.00/0.94/5.90/0.16 0.00/1.88/4.90/0.10 0.00/2.82/3.90/0.07 0.06/3.77/2.99/0.00 0.09/4.71/1.88/0.00 0.14/5.66/0.87/0.00 0.27/7.44/0.18/0.00" label="Correction matrix for isotope distributions (see documentation); use the following format: <-2Da>/<-1Da>/<+1Da>/<+2Da>;" help="(-correction_matrix) e.g. '0/0.3/4/0', '0.1/0.3/3/0.2'"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + </repeat> + <param name="param_quantification_isotope_correction" display="radio" type="select" optional="False" value="true" label="Enable isotope correction (highly recommended)" help="(-isotope_correction) Note that you need to provide a correct isotope correction matrix otherwise the tool will fail or produce invalid results"> + <option value="true" selected="true">true</option> + <option value="false">false</option> + </param> + <param name="param_quantification_normalization" display="radio" type="boolean" truevalue="-quantification:normalization" falsevalue="" checked="false" optional="True" label="Enable normalization of channel intensities with respect to the reference channel" help="(-normalization) The normalization is done by using the Median of Ratios (every channel / Reference). Also the ratio of medians (from any channel and reference) is provided as control measure!"/> + <param name="param_tmt10plex_channel_126_description" type="text" size="30" label="Description for the content of the 126 channel" help="(-channel_126_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_channel_127N_description" type="text" size="30" label="Description for the content of the 127N channel" help="(-channel_127N_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_channel_127C_description" type="text" size="30" label="Description for the content of the 127C channel" help="(-channel_127C_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_channel_128N_description" type="text" size="30" label="Description for the content of the 128N channel" help="(-channel_128N_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_channel_128C_description" type="text" size="30" label="Description for the content of the 128C channel" help="(-channel_128C_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_channel_129N_description" type="text" size="30" label="Description for the content of the 129N channel" help="(-channel_129N_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_channel_129C_description" type="text" size="30" label="Description for the content of the 129C channel" help="(-channel_129C_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_channel_130N_description" type="text" size="30" label="Description for the content of the 130N channel" help="(-channel_130N_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_channel_130C_description" type="text" size="30" label="Description for the content of the 130C channel" help="(-channel_130C_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_channel_131_description" type="text" size="30" label="Description for the content of the 131 channel" help="(-channel_131_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt10plex_reference_channel" type="select" optional="False" value="126" label="The reference channel (126, 127N, 127C, 128N, 128C, 129N, 129C, 130N, 130C, 131)" help="(-reference_channel) "> + <option value="126" selected="true">126</option> + <option value="127N">127N</option> + <option value="127C">127C</option> + <option value="128N">128N</option> + <option value="128C">128C</option> + <option value="129N">129N</option> + <option value="129C">129C</option> + <option value="130N">130N</option> + <option value="130C">130C</option> + <option value="131">131</option> + </param> + <repeat name="rep_param_tmt10plex_correction_matrix" min="0" max="1" title="param_tmt10plex_correction_matrix"> + <param name="param_tmt10plex_correction_matrix" type="text" size="30" value="0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0" label="Correction matrix for isotope distributions (see documentation); use the following format: <-2Da>/<-1Da>/<+1Da>/<+2Da>;" help="(-correction_matrix) e.g. '0/0.3/4/0', '0.1/0.3/3/0.2'"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + </repeat> + <param name="param_tmt6plex_channel_126_description" type="text" size="30" label="Description for the content of the 126 channel" help="(-channel_126_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt6plex_channel_127_description" type="text" size="30" label="Description for the content of the 127 channel" help="(-channel_127_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt6plex_channel_128_description" type="text" size="30" label="Description for the content of the 128 channel" help="(-channel_128_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt6plex_channel_129_description" type="text" size="30" label="Description for the content of the 129 channel" help="(-channel_129_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt6plex_channel_130_description" type="text" size="30" label="Description for the content of the 130 channel" help="(-channel_130_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt6plex_channel_131_description" type="text" size="30" label="Description for the content of the 131 channel" help="(-channel_131_description) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tmt6plex_reference_channel" type="integer" min="126" max="131" optional="True" value="126" label="Number of the reference channel (126-131)" help="(-reference_channel) "/> + <repeat name="rep_param_tmt6plex_correction_matrix" min="0" max="1" title="param_tmt6plex_correction_matrix"> + <param name="param_tmt6plex_correction_matrix" type="text" size="30" value="0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0 0.0/0.0/0.0/0.0" label="Correction matrix for isotope distributions (see documentation); use the following format: <-2Da>/<-1Da>/<+1Da>/<+2Da>;" help="(-correction_matrix) e.g. '0/0.3/4/0', '0.1/0.3/3/0.2'"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + </repeat> + <expand macro="advanced_options"> + <param name="param_force" display="radio" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> + <param name="param_extraction_precursor_isotope_deviation" type="float" min="0.0" optional="True" value="10.0" label="Maximum allowed deviation (in ppm) between theoretical and observed isotopic peaks of the precursor peak in the isolation window to be counted as part of the precurso" help="(-precursor_isotope_deviation) "/> + <param name="param_extraction_purity_interpolation" display="radio" type="select" optional="False" value="true" label="If set to true the algorithm will try to compute the purity as a time weighted linear combination of the precursor scan and the following scan" help="(-purity_interpolation) If set to false, only the precursor scan will be used"> + <option value="true" selected="true">true</option> + <option value="false">false</option> + </param> + </expand> + </inputs> + <outputs> + <data name="param_out" format="consensusxml"/> + </outputs> + <help>Calculates isobaric quantitative values for peptides + + +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_IsobaricAnalyzer.html</help> +</tool>