Mercurial > repos > pieterlukasse > prims_metabolomics2
diff metaMS/xcms_get_alignment_eic.xml @ 6:4393f982d18f
reorganized sources
author | pieter.lukasse@wur.nl |
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date | Thu, 19 Mar 2015 12:22:23 +0100 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/metaMS/xcms_get_alignment_eic.xml Thu Mar 19 12:22:23 2015 +0100 @@ -0,0 +1,73 @@ +<tool id="xcms_get_alignment_eic" name="XCMS Get Alignment EICs" version="0.0.4"> + <description> Extracts alignment EICs from feature alignment data</description> + <requirements> + <requirement type="package" version="3.1.1">R_bioc_metams</requirement> + </requirements> + <command interpreter="Rscript"> + xcms_get_alignment_eic.r + $xsetData + $rtStart + $rtEnd + $minNrSamples + "$sampleNames" + $htmlReportFile + $htmlReportFile.files_path + $outLogFile + </command> +<inputs> + + <param name="xsetData" type="data" format="rdata" label="xset xcms data file" help="E.g. output data file resulting from METAMS run"/> + + + <param name="rtStart" type="integer" value="" size="10" label="RT start" help="Start of Retention Time region to plot" /> + <param name="rtEnd" type="integer" value="" size="10" label="RT end" help="End of Retention Time region to plot" /> + + <param name="minNrSamples" type="integer" size="10" value="10" label="Minimum number of samples in which aligned feature should be found" help="Can also read this as: Minimum + number of features in alignment. E.g. if set to 10, it means the alignment should consist of at least 10 peaks from 10 different samples aligned together." /> + + <param name="sampleNames" type="text" area="true" size="10x70" label="List of sample names" + value="sampleName1,sampleName2,etc" + help="Comma or line-separated list of sample names. Optional field where you can specify the subset of samples + to use for the EIC plots. NB: if your dataset has many samples, specifying a subset here can significantly speed up the processing time." > + <sanitizer> + <!-- this translates from line-separated to comma separated list, removes quotes --> + <valid/> + <mapping initial="none"> + <add source=" " target=","/> + <add source=" " target=""/> + <add source=""" target=""/> + </mapping> + </sanitizer> + </param> + + +</inputs> +<outputs> + <data name="outLogFile" format="txt" label="${tool.name} on ${on_string} - log (LOG)" hidden="True"/> + <data name="htmlReportFile" format="html" label="${tool.name} on ${on_string} - EIC(s) report (HTML)"/> +</outputs> +<tests> + <test> + </test> +</tests> +<help> + +.. class:: infomark + +This tool finds the alignments in the specified RT window and extracts alignment EICs from feature alignment data using XCMS's getEIC method. +It produces a HTML report showing the EIC plots and the mass list of each alignment. The figure below shows an example of such an EIC plot, showing also the difference between +two classes, with extra alignment information beneath it. + +.. image:: $PATH_TO_IMAGES/diffreport.png + +Alignment id: 1709. m/z list of peaks in alignment: +614.002922098482,613.998019830021,614.000382307519,613.998229980469,613.998229980469 + + + </help> + <citations> + <citation type="doi">10.1021/ac051437y</citation> <!-- example + see also https://wiki.galaxyproject.org/Admin/Tools/ToolConfigSyntax#A.3Ccitations.3E_tag_set + --> + </citations> +</tool> \ No newline at end of file