view test-data/MM8.mzML @ 13:c934dd5c49a9 draft

planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 4897a06ef248e2e74e57a496dd68adbda3c828f1

<?xml version="1.0" encoding="ISO-8859-1"?>
<mzML xmlns="http://psi.hupo.org/ms/mzml" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0.xsd" version="1.1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<cvList count="2">
<cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Vocabularies" version="2.26.0" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>
<cv id="UO" fullName="unit" version="1.20" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo?revision=1.20"/>
</cvList>
<fileDescription>
<fileContent>
<cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum"/>
<cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum"/>
</fileContent>
<sourceFileList count="1">
<sourceFile id="sourceFile" location="Z:/tmp/bruker/MM8_2-F%2c1_01_5950.d" name="analysis.baf">
<cvParam cvRef="MS" accession="MS:1000772" name="Bruker BAF nativeID format"/>
<cvParam cvRef="MS" accession="MS:1000815" name="Bruker BAF file"/>
<cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="7ade07ca5f336a6e8378bd0ba9992528b1c766b5"/>
</sourceFile>
</sourceFileList>
<contact>
<cvParam cvRef="MS" accession="MS:1000586" name="contact name" value="Bruker Customer"/>
<cvParam cvRef="MS" accession="MS:1000590" name="contact organization" value=""/>
</contact>
</fileDescription>
<sampleList count="1">
<sample id="sample" name="MM8">
</sample>
</sampleList>
<softwareList count="2">
<software id="exportSoftware" version="3.0.0">
<cvParam cvRef="MS" accession="MS:1000717" name="CompassXport"/>
</software>
<software id="instrumentSoftware" version="2.3.40.0">
<cvParam cvRef="MS" accession="MS:1000692" name="Bruker software"/>
<userParam name="AcquisitionProgram" value="micrOTOFcontrol"/>
</software>
</softwareList>
<instrumentConfigurationList count="1">
<instrumentConfiguration id="instrument">
<cvParam cvRef="MS" accession="MS:1000703" name="micrOTOF-Q"/>
<componentList count="3">
<source order="1">
<cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization"/>
</source>
<analyzer order="2">
<cvParam cvRef="MS" accession="MS:1000081" name="quadrupole"/>
</analyzer>
<detector order="3">
<cvParam cvRef="MS" accession="MS:1000253" name="electron multiplier"/>
</detector>
</componentList>
<softwareRef ref="instrumentSoftware"/>
</instrumentConfiguration>
</instrumentConfigurationList>
<dataProcessingList count="1">
<dataProcessing id="exportation">
<processingMethod order="1" softwareRef="instrumentSoftware">
<cvParam cvRef="MS" accession="MS:1000035" name="peak picking"/>
</processingMethod>
<processingMethod order="2" softwareRef="exportSoftware">
<cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML"/>
<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2010-12-14T14:45:43"/>
</processingMethod>
</dataProcessing>
</dataProcessingList>
<run id="run" defaultInstrumentConfigurationRef="instrument" startTimeStamp="2008-09-01T09:48:37.296+01:00">
<spectrumList count="198" defaultDataProcessingRef="exportation">
<spectrum index="0" id="scan=1" defaultArrayLength="1743">
<cvParam cvRef="MS" accession="MS:1000130" name="positive scan"/>
<cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum"/>
<cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum"/>
<cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="97322.00000000"/>
<cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="144.04999210" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
<cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="7250.00000000" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of counts"/>
<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
<cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1004.47036021" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
<cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="104.55373727" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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<scan instrumentConfigurationRef="instrument">
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