Mercurial > repos > galaxyp > mzmatch
diff extract_background_ions.xml @ 0:201a15633354 draft default tip
Initial commit.
author | galaxyp |
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date | Fri, 10 May 2013 17:28:02 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/extract_background_ions.xml Fri May 10 17:28:02 2013 -0400 @@ -0,0 +1,39 @@ +<tool id="mzmatch_extract_background_ions" version="0.1.0" name="Extract Background Ions"> + <description> + </description> + <macros> + <import>macros.xml</import> + </macros> + <expand macro="stdio" /> + <expand macro="requires" /> + <command interpreter="python"> + mzmatch_wrapper.py + --executable '__SHELL__' --config $setup + --executable 'ExtractBackgroundIons' --config $config + </command> + <configfiles> + <configfile name="setup">ln -s $input1 input.${input1.ext}</configfile> + <configfile name="config">-ppm $ppm -i input.${input1.ext} -o $output -threshold $threshold</configfile> + </configfiles> + <inputs> + <param name="input1" label="Input" type="data" format="mzml,mzxml" /> + <param name="ppm" label="ppm" value="3" type="float" help="The accuracy of the measurement in parts-per-milion. This value is used for the collection of the data-points belonging to a background ion and needs to be reasonable for the equipment used to make the measurement (the LTQ-Orbitrap manages approximatetly 3 ppm)." /> + <param name="threshold" type="float" value="0.02" label="Treshold" help="The percentage (a value between 0 and 1) of scans that minimally need to contain a measurement." /> + </inputs> + <outputs> + <data format="peakml" name="output" /> + </outputs> + <help> +**What it does** + +Extracts background ions (x-axis: RT; y-axis: Intensity) from 2D mass spectrometry data (LC/MS or GC/MS). The raw data is loaded from the open standard file formats (mzML, mzXML or mzData) and all of the individidual mass traces (M/Z +/- ppm over the whole scan range) are retrieved. A mass trace is retained when it is present in more than the given percentage of scans (option 'threshold'). + +The resulting output file is in PeakML-format, containing a list of all the extracted background ions. + +**Citation** + +For the underlying tool, please cite ``PeakML/mzMatch: A File Format, Java Library, R Library, and Tool-Chain for Mass Spectrometry Data Analysis. Richard A. Scheltema, Andris Jankevics, Ritsert C. Jansen, Morris A. Swertz, and Rainer Breitling. Analytical Chemistry 2011 83 (7), pp 2786-2793`` + +If you use this tool in Galaxy, please cite Chilton J, et al. https://bitbucket.org/galaxyp/galaxyp-toolshed-mzmatch + </help> +</tool>