Mercurial > repos > bgruening > openms
diff InternalCalibration.xml @ 0:3d84209d3178 draft
Uploaded
| author | bgruening |
|---|---|
| date | Fri, 10 Oct 2014 18:20:03 -0400 |
| parents | |
| children | 6ead64a594bd |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/InternalCalibration.xml Fri Oct 10 18:20:03 2014 -0400 @@ -0,0 +1,53 @@ +<?xml version='1.0' encoding='UTF-8'?> +<tool id="InternalCalibration" name="InternalCalibration" version="1.12.0"> + <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 + +-in ${param_in} +-out ${param_out} +-ref_peaks ${param_ref_peaks} +-type ${param_type} +-trafo ${param_trafo} +-threads \${GALAXY_SLOTS:-24} +-algorithm:mz_tolerance ${param_mz_tolerance} +-algorithm:mz_tolerance_unit ${param_mz_tolerance_unit} +-algorithm:rt_tolerance ${param_rt_tolerance} +</command> + <inputs> + <param name="param_in" type="data" format="mzML,featureXML" 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_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_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_rt_tolerance" type="integer" value="10" label="Allowed tolerance between peak and reference rt." help="(-rt_tolerance)"/> + </inputs> + <outputs> + <data name="param_out" label="output file " format="featureXML"> + <change_format> + <when input="param_out_type" value="mzML" format="mzML"/> + </change_format> + </data> + <data name="param_trafo" label="output transformation file (only for global calibration)" format="data"/> + </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 + +@REFERENCES@ +</help> +</tool>
