Mercurial > repos > lecorguille > xcms_xcmsset
view test-data/MM14.mzML @ 14:363cce459fff draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 73791d74546087b2a872d9279df960f5bc207298
author | lecorguille |
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date | Tue, 13 Feb 2018 04:47:50 -0500 |
parents | 15646e937936 |
children |
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<?xml version="1.0" encoding="ISO-8859-1"?> <mzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0.xsd" accession="" version="1.1"> <cvList count="2"> <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/> <cv id="UO" fullName="Unit Ontology" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo"/> </cvList> <fileDescription> <fileContent> <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" /> </fileContent> <sourceFileList count="1"> <sourceFile id="sf_ru_0" name="analysis.baf" location="MM14_20uM_2-A%2c4_01_1745.d/"> <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="" /> <cvParam cvRef="MS" accession="MS:1000564" name="PSI mzData file" /> <cvParam cvRef="MS" accession="MS:1000824" name="no nativeID format" /> </sourceFile> </sourceFileList> <contact> <cvParam cvRef="MS" accession="MS:1000586" name="contact name" value="Customer, Bruker" /> <cvParam cvRef="MS" accession="MS:1000590" name="contact organization" value="" /> </contact> </fileDescription> <sampleList count="1"> <sample id="sa_0" name="MM14_20uM"> <cvParam cvRef="MS" accession="MS:1000004" name="sample mass" value="0" unitAccession="UO:0000021" unitName="gram" unitCvRef="UO" /> <cvParam cvRef="MS" accession="MS:1000005" name="sample volume" value="0" unitAccession="UO:0000098" unitName="milliliter" unitCvRef="UO" /> <cvParam cvRef="MS" accession="MS:1000006" name="sample concentration" value="0" unitAccession="UO:0000175" unitName="gram per liter" unitCvRef="UO" /> </sample> </sampleList> <softwareList count="3"> <software id="so_in_0" version="" > <cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="" /> </software> <software id="so_dp_0" 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unitAccession="UO:0000228" unitName="tesla" unitCvRef="UO" /> <cvParam cvRef="MS" accession="MS:1000443" name="mass analyzer type" /> </analyzer> <detector order="0"> <cvParam cvRef="MS" accession="MS:1000028" name="detector resolution" value="0" /> <cvParam cvRef="MS" accession="MS:1000029" name="sampling frequency" value="0" unitAccession="UO:0000106" unitName="hertz" unitCvRef="UO" /> <cvParam cvRef="MS" accession="MS:1000026" name="detector type" /> </detector> </componentList> <softwareRef ref="so_in_0" /> </instrumentConfiguration> </instrumentConfigurationList> <dataProcessingList count="1"> <dataProcessing id="dp_ru_0"> <processingMethod order="0" softwareRef="so_dp_0"> <cvParam cvRef="MS" accession="MS:1000034" name="charge deconvolution" /> <cvParam cvRef="MS" accession="MS:1000033" name="deisotoping" /> <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2008-04-17+05:41" /> </processingMethod> <processingMethod order="0" softwareRef="so_dp_1"> <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" /> <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2010-01-05+22:44" /> <userParam name="parameter: in" type="xsd:string" value="MM14.mzdata"/> <userParam name="parameter: out" type="xsd:string" value="MM14.mzML"/> </processingMethod> </dataProcessing> </dataProcessingList> <run id="ru_0" defaultInstrumentConfigurationRef="ic_0" sampleRef="sa_0" defaultSourceFileRef="sf_ru_0"> <spectrumList count="112" defaultDataProcessingRef="dp_ru_0"> <spectrum id="spectrum=1" index="0" defaultArrayLength="1378"> <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" /> <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" /> <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" /> <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" /> <scanList count="1"> <cvParam cvRef="MS" accession="MS:1000795" name="no combination" /> <scan externalSpectrumID="1"> <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="270.334" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" /> <scanWindowList count="1"> <scanWindow> <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="110.143" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.73" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> </scanWindow> </scanWindowList> </scan> </scanList> <binaryDataArrayList count="2"> <binaryDataArray encodedLength="14700"> <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" /> <cvParam cvRef="MS" accession="MS:1000576" name="no compression" /> 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