Mercurial > repos > bgruening > openms
diff OpenSwathChromatogramExtractor.xml @ 0:3d84209d3178 draft
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| 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/OpenSwathChromatogramExtractor.xml Fri Oct 10 18:20:03 2014 -0400 @@ -0,0 +1,60 @@ +<?xml version='1.0' encoding='UTF-8'?> +<tool id="OpenSwathChromatogramExtractor" name="OpenSwathChromatogramExtractor" version="1.12.0"> + <description>Extract chromatograms (XIC) from a MS2 map file.</description> + <macros> + <token name="@EXECUTABLE@">OpenSwathChromatogramExtractor</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>OpenSwathChromatogramExtractor + +-in ${param_in} +-tr ${param_tr} +-rt_norm ${param_rt_norm} +-out ${param_out} +-min_upper_edge_dist ${param_min_upper_edge_dist} +-mz_window ${param_mz_window} +-rt_window ${param_rt_window} +${param_is_swath} +${param_ppm} +${param_extract_MS1} +-extraction_function ${param_extraction_function} +-threads \${GALAXY_SLOTS:-24} +-model:type ${param_type} +${param_symmetric_regression} +</command> + <inputs> + <param name="param_in" type="data" format="mzML" optional="False" size="20" label="Input files separated by blank" help="(-in)"/> + <param name="param_tr" type="data" format="tabular" optional="False" label="transition file ('TraML' or 'csv')" help="(-tr)"/> + <param name="param_rt_norm" type="data" format="" optional="True" label="RT normalization file (how to map the RTs of this run to the ones stored in the library)" help="(-rt_norm)"/> + <param name="param_min_upper_edge_dist" type="float" value="0.0" label="Minimal distance to the edge to still consider a precursor, in Thomson" help="(-min_upper_edge_dist)"/> + <param name="param_mz_window" type="float" min="0.0" optional="True" value="0.05" label="Extraction window in m/z dimension (in Thomson, to use ppm see -ppm flag). This is the full window size, e.g. 100 ppm would extract 50 ppm on either side." help="(-mz_window)"/> + <param name="param_rt_window" type="float" value="-1.0" label="Extraction window in RT dimension (-1 means extract over the whole range). This is the full window size, e.g. a value of 1000 seconds would extract 500 seconds on either side." help="(-rt_window)"/> + <param name="param_is_swath" type="boolean" truevalue="-is_swath true" falsevalue="-is_swath false" checked="false" optional="True" label="Set this flag if the data is SWATH data" help="(-is_swath)"/> + <param name="param_ppm" type="boolean" truevalue="-ppm true" falsevalue="-ppm false" checked="false" optional="True" label="m/z extraction_window is in ppm" help="(-ppm)"/> + <param name="param_extract_MS1" type="boolean" truevalue="-extract_MS1 true" falsevalue="-extract_MS1 false" checked="false" optional="True" label="Extract the MS1 transitions based on the precursor values in the TraML file" help="(-extract_MS1)"/> + <param name="param_extraction_function" type="select" optional="True" value="tophat" label="Function used to extract the signal" help="(-extraction_function)"> + <option value="tophat">tophat</option> + <option value="bartlett">bartlett</option> + </param> + <param name="param_type" type="select" optional="True" value="linear" label="Type of model" help="(-type)"> + <option value="linear">linear</option> + <option value="b_spline">b_spline</option> + <option value="interpolated">interpolated</option> + </param> + <param name="param_symmetric_regression" type="boolean" truevalue="-model:symmetric_regression true" falsevalue="-model:symmetric_regression false" checked="false" optional="True" label="Only for 'linear' model: Perform linear regression on 'y - x' vs. 'y + x', instead of on 'y' vs. 'x'." help="(-symmetric_regression)"/> + </inputs> + <outputs> + <data name="param_out" label="output file" format="mzML"/> + </outputs> + <help>**What it does** + +Extract chromatograms (XIC) from a MS2 map file. + + +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_OpenSwathChromatogramExtractor.html + +@REFERENCES@ +</help> +</tool>
