Mercurial > repos > galaxyp > openms
diff InternalCalibration.xml @ 0:3070d71e0e5c draft
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author | bgruening |
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date | Thu, 16 Apr 2015 08:37:04 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/InternalCalibration.xml Thu Apr 16 08:37:04 2015 -0400 @@ -0,0 +1,81 @@ +<?xml version='1.0' encoding='UTF-8'?> +<tool id="InternalCalibration" name="InternalCalibration" version="2.0.0"> + <description>Applies an internal calibration.</description> + <macros> + <token name="@EXECUTABLE@">InternalCalibration</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>InternalCalibration + +#if $param_in: + -in $param_in +#end if +#if $param_out: + -out $param_out +#end if +#if $param_ref_peaks: + -ref_peaks $param_ref_peaks +#end if +#if $param_type: + -type + #if " " in str($param_type): + "$param_type" + #else + $param_type + #end if +#end if +#if $param_trafo: + -trafo $param_trafo +#end if +-threads \${GALAXY_SLOTS:-24} +#if $param_algorithm_mz_tolerance: + -algorithm:mz_tolerance $param_algorithm_mz_tolerance +#end if +#if $param_algorithm_mz_tolerance_unit: + -algorithm:mz_tolerance_unit + #if " " in str($param_algorithm_mz_tolerance_unit): + "$param_algorithm_mz_tolerance_unit" + #else + $param_algorithm_mz_tolerance_unit + #end if +#end if +#if $param_algorithm_rt_tolerance: + -algorithm:rt_tolerance $param_algorithm_rt_tolerance +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_force: + -force +#end if +#end if +</command> + <inputs> + <param name="param_in" type="data" format="featurexml,mzml" optional="False" label="input peak file" help="(-in) "/> + <param name="param_ref_peaks" type="data" format="tabular,idxml" optional="True" label="input file containing reference m/z values (either as textfile with one m/z per line and no header or as idXML file)" help="(-ref_peaks) "/> + <param name="param_type" type="select" optional="True" value="spectrumwise" label="The kind of internal calibration that should be applied" help="(-type) "> + <option value="spectrumwise">spectrumwise</option> + <option value="global">global</option> + </param> + <param name="param_algorithm_mz_tolerance" type="float" min="0.0" optional="True" value="1.0" label="Allowed tolerance between peak and reference m/z" help="(-mz_tolerance) "/> + <param name="param_algorithm_mz_tolerance_unit" type="select" optional="True" value="Da" label="Unit for mz_tolerance" help="(-mz_tolerance_unit) "> + <option value="Da">Da</option> + <option value="ppm">ppm</option> + </param> + <param name="param_algorithm_rt_tolerance" type="integer" value="10" label="Allowed tolerance between peak and reference rt" help="(-rt_tolerance) "/> + <expand macro="advanced_options"> + <param name="param_force" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> + </expand> + </inputs> + <outputs> + <data name="param_out" metadata_source="param_in" format="input"/> + <data name="param_trafo" format="trafoxml"/> + </outputs> + <help>**What it does** + +Applies an internal calibration. + + +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_InternalCalibration.html</help> + <expand macro="references"/> +</tool>