Mercurial > repos > galaxyp > openms_highresprecursormasscorrector
diff HighResPrecursorMassCorrector.xml @ 0:e37289d08990 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 12:55:06 -0500 |
parents | |
children | 108f550ea3c4 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/HighResPrecursorMassCorrector.xml Wed Mar 01 12:55:06 2017 -0500 @@ -0,0 +1,90 @@ +<?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: [Signal processing and preprocessing]--> +<tool id="HighResPrecursorMassCorrector" name="HighResPrecursorMassCorrector" version="2.1.0"> + <description>Corrects the precursor mass and charge determined by the instrument software.</description> + <macros> + <token name="@EXECUTABLE@">HighResPrecursorMassCorrector</token> + <import>macros.xml</import> + </macros> + <expand macro="references"/> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>HighResPrecursorMassCorrector + +#if $param_in: + -in $param_in +#end if +#if $param_out: + -out $param_out +#end if +#if $param_out_csv: + -out_csv $param_out_csv +#end if +#if $param_feature_in: + -feature:in $param_feature_in +#end if +#if $param_feature_mz_tolerance: + -feature:mz_tolerance $param_feature_mz_tolerance +#end if +#if $param_feature_mz_tolerance_unit: + -feature:mz_tolerance_unit $param_feature_mz_tolerance_unit +#end if +#if $param_feature_rt_tolerance: + -feature:rt_tolerance $param_feature_rt_tolerance +#end if +#if $param_feature_believe_charge: + -feature:believe_charge +#end if +#if $param_feature_keep_original: + -feature:keep_original +#end if +#if $param_feature_assign_all_matching: + -feature:assign_all_matching +#end if +#if $param_nearest_peak_mz_tolerance: + -nearest_peak:mz_tolerance $param_nearest_peak_mz_tolerance +#end if +#if $param_nearest_peak_mz_tolerance_unit: + -nearest_peak:mz_tolerance_unit $param_nearest_peak_mz_tolerance_unit +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_force: + -force +#end if + #if $adv_opts.param_feature_max_trace: + -feature:max_trace $adv_opts.param_feature_max_trace +#end if +#end if +</command> + <inputs> + <param name="param_in" type="data" format="mzml" optional="False" label="Input file (centroided data)" help="(-in) "/> + <param name="param_feature_in" type="data" format="featurexml" optional="True" label="Features used to correct precursor masses" help="(-in) "/> + <param name="param_feature_mz_tolerance" type="float" value="5.0" label="The precursor mass tolerance" help="(-mz_tolerance) Used to determine matching to feature mass traces"/> + <param name="param_feature_mz_tolerance_unit" display="radio" type="select" optional="False" value="ppm" label="Unit of precursor mass tolerance" help="(-mz_tolerance_unit) "> + <option value="Da">Da</option> + <option value="ppm" selected="true">ppm</option> + </param> + <param name="param_feature_rt_tolerance" type="float" value="0.0" label="Additional retention time tolerance added to feature boundaries" help="(-rt_tolerance) "/> + <param name="param_feature_believe_charge" display="radio" type="boolean" truevalue="-feature:believe_charge" falsevalue="" checked="false" optional="True" label="Assume precursor charge to be correct" help="(-believe_charge) "/> + <param name="param_feature_keep_original" display="radio" type="boolean" truevalue="-feature:keep_original" falsevalue="" checked="false" optional="True" label="Make a copy of the precursor and MS2 (true) or discard the original (false)" help="(-keep_original) "/> + <param name="param_feature_assign_all_matching" display="radio" type="boolean" truevalue="-feature:assign_all_matching" falsevalue="" checked="false" optional="True" label="Correct a precursor using all matching features (true) or only the nearest (false)" help="(-assign_all_matching) Only evaluated if copies are created (feature:keep_original)"/> + <param name="param_nearest_peak_mz_tolerance" type="float" value="0.0" label="The precursor mass tolerance to find the closest MS1 peak" help="(-mz_tolerance) Set to 0.0 to disable"/> + <param name="param_nearest_peak_mz_tolerance_unit" display="radio" type="select" optional="False" value="ppm" label="Unit of precursor mass tolerance" help="(-mz_tolerance_unit) "> + <option value="Da">Da</option> + <option value="ppm" selected="true">ppm</option> + </param> + <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_feature_max_trace" type="integer" value="2" label="Maximum isotopic trace considered in matching a precursor to a feature" help="(-max_trace) "/> + </expand> + </inputs> + <outputs> + <data name="param_out" format="mzml"/> + <data name="param_out_csv" format="tabular"/> + </outputs> + <help>Corrects the precursor mass and charge determined by the instrument software. + + +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_HighResPrecursorMassCorrector.html</help> +</tool>