Mercurial > repos > lecorguille > xcms_plot_chromatogram
diff xcms_plot_chromatogram.xml @ 0:c749bfd3410e draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
author | lecorguille |
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date | Tue, 18 Sep 2018 16:06:05 -0400 |
parents | |
children | 7c0cc7a3c3db |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/xcms_plot_chromatogram.xml Tue Sep 18 16:06:05 2018 -0400 @@ -0,0 +1,113 @@ +<tool id="xcms_plot_chromatogram" name="xcms plot chromatogram" version="@WRAPPER_VERSION@.0"> + <description>Plots base peak intensity chromatogram (BPI) and total ion current chromatogram (TIC) from MSnbase or xcms experiment(s)</description> + + <macros> + <import>macros.xml</import> + <import>macros_xcms.xml</import> + </macros> + + <expand macro="requirements"/> + <expand macro="stdio"/> + + <command><![CDATA[ + @COMMAND_RSCRIPT@//xcms_plot_chromatogram.r + + images 'c("${"\",\"".join(map(str, $images))}")' + + #if str($sampleMetadata) != 'None': + sampleMetadata '$sampleMetadata' + #end if + + @COMMAND_FILE_LOAD@ + ]]></command> + + <inputs> + <param name="images" type="data" format="rdata.msnbase.raw,rdata.xcms.findchrompeaks,rdata.xcms.group,rdata.xcms.retcor,rdata.xcms.fillpeaks,rdata" label="@INPUT_IMAGE_LABEL@" help="@INPUT_IMAGE_HELP@ from: findChromPeaks, groupChromPeaks or adjustRtime" multiple="true" /> + <param name="sampleMetadata" label="Sample metadata file " format="tabular" type="data" optional="true" help="Must contain at least one column with the sample id and one column with the sample class"/> + + <expand macro="input_file_load"/> + </inputs> + + <outputs> + <data name="ticsPdf" format="pdf" label="TICs.pdf" from_work_dir="TICs.pdf"/> + <data name="bpisPdf" format="pdf" label="BPIs.pdf" from_work_dir="BPIs.pdf" /> + </outputs> + + <tests> + <test> + <param name="images" value="faahKO-single.xset.merged.group.retcor.RData" ftype="rdata"/> + <expand macro="test_file_load_single"/> + <param name="sampleMetadata" value="sampleMetadata.tab" ftype="tabular"/> + <output name="ticsPdf" value="TICs.pdf" ftype="pdf" compare="sim_size" delta="600" /> + <output name="bpisPdf" value="BPIs.pdf" ftype="pdf" compare="sim_size" delta="600" /> + </test> + <!-- DISABLE FOR TRAVIS + <test> + <param name="images" value="ko15-raw.RData,ko16-raw.RData,wt15-raw.RData,wt16-raw.RData" ftype="rdata"/> + <expand macro="test_file_load_single"/> + <output name="ticsPdf" value="TICs.pdf" ftype="pdf" compare="sim_size" delta="600" /> + <output name="bpisPdf" value="BPIs.pdf" ftype="pdf" compare="sim_size" delta="600" /> + </test> + --> + </tests> + + <help><![CDATA[ + +@HELP_AUTHORS@ + +====================== +xcms plot chromatogram +====================== + +----------- +Description +----------- + +This tool will plot Base Peak Intensity chromatogram (BPI) and Total Ion Current chromatogram (TIC) from xcms experiments. + + +----------------- +Workflow position +----------------- + +**Upstream tools** + +=========================== ======================== ============================== +Name Output file Format +=========================== ======================== ============================== +MSnbase.readMSData ``*``.raw.RData rdata.msnbase.raw +--------------------------- ------------------------ ------------------------------ +xcms.findChromPeaks ``*``.raw.xset.RData rdata.xcms.findchrompeaks +--------------------------- ------------------------ ------------------------------ +xcms.findChromPeaks Merger xset.merged.RData rdata.xcms.retcor +--------------------------- ------------------------ ------------------------------ +xcms.adjustRtime ``*``.adjustRtime.RData rdata.xcms.retcor +=========================== ======================== ============================== + +.. image:: xcms_plot_chromatogram_workflow.png + +--------------------------------------------------- + +------------ +Output files +------------ + +**Total Ion Current (TIC) chromatogram** + | Sum of intensity (Y) of all ions detected at each retention time (X) + +**Base Peak Intensity Chromatogram (BPI)** + | Sum of intensity (Y) of the most intense peaks at each retention time (X) + +--------------------------------------------------- + +Changelog/News +-------------- + +**Version 3.0.0.0 - 07/03/2018** + +- NEW: This new tool will plot base peak intensity chromatogram (BPI) and total ion chromatogram (TIC) from xcms experience. It will replace those created by xcmsSet and retcor tools. + + ]]></help> + + <expand macro="citation" /> +</tool>