Mercurial > repos > bgruening > openms
diff HighResPrecursorMassCorrector.xml @ 4:6ead64a594bd draft default tip
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
| author | bgruening |
|---|---|
| date | Wed, 27 Jan 2016 10:06:49 -0500 |
| parents | 3d84209d3178 |
| children |
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--- a/HighResPrecursorMassCorrector.xml Mon Oct 13 10:18:22 2014 -0400 +++ b/HighResPrecursorMassCorrector.xml Wed Jan 27 10:06:49 2016 -0500 @@ -1,33 +1,101 @@ -<?xml version='1.0' encoding='UTF-8'?> -<tool id="HighResPrecursorMassCorrector" name="HighResPrecursorMassCorrector" version="1.12.0"> - <description>Corrects the precursor mz determined by the instrument software.</description> - <macros> - <token name="@EXECUTABLE@">HighResPrecursorMassCorrector</token> - <import>macros.xml</import> - </macros> - <expand macro="stdio"/> - <expand macro="requirements"/> - <command>HighResPrecursorMassCorrector +<?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="2.0.0"> + <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 --in ${param_in} --out ${param_out} --out_csv ${param_out_csv} --threads \${GALAXY_SLOTS:-24} +#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 +-threads \${GALAXY_SLOTS:-24} +#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 $param_feature_mz_tolerance_unit: + -feature:mz_tolerance_unit + #if " " in str($param_feature_mz_tolerance_unit): + "$param_feature_mz_tolerance_unit" + #else + $param_feature_mz_tolerance_unit + #end if +#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 $param_nearest_peak_mz_tolerance_unit: + -nearest_peak:mz_tolerance_unit + #if " " in str($param_nearest_peak_mz_tolerance_unit): + "$param_nearest_peak_mz_tolerance_unit" + #else + $param_nearest_peak_mz_tolerance_unit + #end if +#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)"/> - </inputs> - <outputs> - <data name="param_out" label="output file" format="mzML"/> - <data name="param_out_csv" label="Optional csv output file containing columns: precursor rt, uncorrected mz, corrected mz, delta mz#br#" format="tabular"/> - </outputs> - <help>**What it does** - -Corrects the precursor mz determined by the instrument software. + <inputs> + <param format="mzml" help="(-in) " label="input file (centroided data)" name="param_in" optional="False" type="data"/> + <param format="xml" help="(-in) " label="features used to correct precursor masses" name="param_feature_in" optional="True" type="data"/> + <param help="(-mz_tolerance) Used to determine matching to feature mass traces" label="The precursor mass tolerance" name="param_feature_mz_tolerance" type="float" value="5.0"/> + <param help="(-mz_tolerance_unit) " label="Unit of precursor mass tolerance" name="param_feature_mz_tolerance_unit" optional="True" type="select" value="ppm"> + <option value="Da">Da</option> + <option value="ppm">ppm</option> + </param> + <param help="(-rt_tolerance) " label="Additional retention time tolerance added to feature boundaries" name="param_feature_rt_tolerance" type="float" value="0.0"/> + <param checked="false" falsevalue="" help="(-believe_charge) " label="Whether precursor charge is assumed correct" name="param_feature_believe_charge" optional="True" truevalue="-feature:believe_charge" type="boolean"/> + <param checked="false" falsevalue="" help="(-keep_original) " label="Whether a copy of the precusor and MS2 should be made (true) or if the original should be discarded (false)" name="param_feature_keep_original" optional="True" truevalue="-feature:keep_original" type="boolean"/> + <param checked="false" falsevalue="" help="(-assign_all_matching) Only evaluated if copies are created (feature:keep_original)" label="Whether a precursor should be corrected to all matching features (true) or only the nearest (false)" name="param_feature_assign_all_matching" optional="True" truevalue="-feature:assign_all_matching" type="boolean"/> + <param help="(-mz_tolerance) Used to determine matching to next MS1 peak" label="The precursor mass tolerance" name="param_nearest_peak_mz_tolerance" type="float" value="0.0"/> + <param help="(-mz_tolerance_unit) " label="Unit of precursor mass tolerance" name="param_nearest_peak_mz_tolerance_unit" optional="True" type="select" value="ppm"> + <option value="Da">Da</option> + <option value="ppm">ppm</option> + </param> + <expand macro="advanced_options"> + <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/> + <param help="(-max_trace) " label="Maximum isotopic trace considered in matching a precursor to a feature" name="param_feature_max_trace" type="integer" value="2"/> + </expand> + </inputs> + <outputs> + <data format="mzml" name="param_out"/> + <data format="tabular" name="param_out_csv"/> + </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 - -@REFERENCES@ -</help> -</tool> +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_HighResPrecursorMassCorrector.html</help> + </tool>
