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view test-data/small-numpressS.mzML @ 14:3cf310697624 draft

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"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit 79157337a253a1c2fce2ad1739668c66b6c54df1"
author galaxyp
date Mon, 16 Nov 2020 17:25:12 +0000
parents 9d5de24e6ef7
children 6153e8ada1ee
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<?xml version="1.0" encoding="utf-8"?>
<indexedmzML 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/mzML1.1.2_idx.xsd">
  <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" id="small" version="1.1.0">
    <cvList count="2">
      <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="4.1.12" URI="https://raw.githubusercontent.com/HUPO-PSI/psi-ms-CV/master/psi-ms.obo"/>
      <cv id="UO" fullName="Unit Ontology" version="09:04:2014" URI="https://raw.githubusercontent.com/bio-ontology-research-group/unit-ontology/master/unit.obo"/>
    </cvList>
    <fileDescription>
      <fileContent>
        <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
        <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
      </fileContent>
      <sourceFileList count="3">
        <sourceFile id="RAW1" name="small.RAW" location="file:///">
          <cvParam cvRef="MS" accession="MS:1000768" name="Thermo nativeID format" value=""/>
          <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW format" value=""/>
          <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="b43e9286b40e8b5dbc0dfa2e428495769ca96a96"/>
        </sourceFile>
        <sourceFile id="small.mzML" name="small.mzML" location="file:///">
          <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="4efa13a2795731b5f2a1ff1c463daf0d24b9a9d9"/>
        </sourceFile>
        <sourceFile id="small-peakpicking-cwt-allMS.mzML" name="small-peakpicking-cwt-allMS.mzML" location="file:///">
          <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="d795eccea21733d1e5cc192bcf2e1c389ed59c20"/>
        </sourceFile>
      </sourceFileList>
    </fileDescription>
    <referenceableParamGroupList count="1">
      <referenceableParamGroup id="CommonInstrumentParams">
        <cvParam cvRef="MS" accession="MS:1000448" name="LTQ FT" value=""/>
        <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN06061F"/>
      </referenceableParamGroup>
    </referenceableParamGroupList>
    <softwareList count="4">
      <software id="Xcalibur" version="1.1 Beta 7">
        <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" value=""/>
      </software>
      <software id="pwiz" version="3.0.8981">
        <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
      </software>
      <software id="pwiz_3.0.19038" version="3.0.19038">
        <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
      </software>
      <software id="pwiz_3.0.19044" version="3.0.19044">
        <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
      </software>
    </softwareList>
    <instrumentConfigurationList count="2">
      <instrumentConfiguration id="IC1">
        <referenceableParamGroupRef ref="CommonInstrumentParams"/>
        <componentList count="3">
          <source order="1">
            <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" value=""/>
            <cvParam cvRef="MS" accession="MS:1000057" name="electrospray inlet" value=""/>
          </source>
          <analyzer order="2">
            <cvParam cvRef="MS" accession="MS:1000079" name="fourier transform ion cyclotron resonance mass spectrometer" value=""/>
          </analyzer>
          <detector order="3">
            <cvParam cvRef="MS" accession="MS:1000624" name="inductive detector" value=""/>
          </detector>
        </componentList>
        <softwareRef ref="Xcalibur"/>
      </instrumentConfiguration>
      <instrumentConfiguration id="IC2">
        <referenceableParamGroupRef ref="CommonInstrumentParams"/>
        <componentList count="3">
          <source order="1">
            <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" value=""/>
            <cvParam cvRef="MS" accession="MS:1000057" name="electrospray inlet" value=""/>
          </source>
          <analyzer order="2">
            <cvParam cvRef="MS" accession="MS:1000083" name="radial ejection linear ion trap" value=""/>
          </analyzer>
          <detector order="3">
            <cvParam cvRef="MS" accession="MS:1000253" name="electron multiplier" value=""/>
          </detector>
        </componentList>
        <softwareRef ref="Xcalibur"/>
      </instrumentConfiguration>
    </instrumentConfigurationList>
    <dataProcessingList count="2">
      <dataProcessing id="pwiz_Reader_Thermo_conversion">
        <processingMethod order="0" softwareRef="pwiz">
          <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
        </processingMethod>
      </dataProcessing>
      <dataProcessing id="pwiz_Reader_conversion">
        <processingMethod order="0" softwareRef="pwiz_3.0.19038">
          <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
        </processingMethod>
        <processingMethod order="1" softwareRef="pwiz_3.0.19038">
          <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/>
        </processingMethod>
      </dataProcessing>
    </dataProcessingList>
    <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1">
      <spectrumList count="48" defaultDataProcessingRef="pwiz_Reader_conversion">
        <spectrum index="0" id="controllerType=0 controllerNumber=1 scan=1" defaultArrayLength="723" dataProcessingRef="pwiz_Reader_conversion">
          <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
          <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
          <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
          <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
          <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.415283203125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
          <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.471973875e06" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
          <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.5245068e07"/>
          <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.00018816645" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
          <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.009946620377" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
          <scanList count="1">
            <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
            <scan>
              <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.004935" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
              <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="FTMS + p ESI Full ms [200.00-2000.00]"/>
              <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="1"/>
              <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="68.227485656738" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
              <scanWindowList count="1">
                <scanWindow>
                  <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
                  <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
                </scanWindow>
              </scanWindowList>
            </scan>
          </scanList>
          <binaryDataArrayList count="2">
            <binaryDataArray encodedLength="7712">
              <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
              <cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
              <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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