annotate test-data/PeptideShaker_tiny.mzid @ 2:68d8c9e521d7 draft

planemo upload for repository https://github.com/iracooke/protk-galaxytools/blob/master/protk-proteogenomics/.shed.yml commit 24e0fef2496984648a8a5cd5bff4d6b9b634a302-dirty

<?xml version="1.0" encoding="utf-8"?>
<MzIdentML xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
xmlns="http://psidev.info/psi/pi/mzIdentML/1.1"
id="PeptideShaker v0.38.2"
xsi:schemaLocation="http://psidev.info/psi/pi/mzIdentML/1.1 http://www.psidev.info/files/mzIdentML1.1.0.xsd"
version="1.1.0" creationDate="2015-05-07T01:24:08">
  <cvList>
    <cv id="PSI-MS"
    uri="http://psidev.cvs.sourceforge.net/viewvc/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"
    version="3.73.0" fullName="PSI-MS" />
    <cv id="UNIMOD" uri="http://www.unimod.org/obo/unimod.obo"
    fullName="UNIMOD" />
    <cv id="UO"
    uri="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo"
    fullName="UNIT-ONTOLOGY" />
    <cv id="PRIDE"
    uri="http://code.google.com/p/ebi-pride/source/browse/trunk/pride-core/schema/pride_cv.obo"
    fullName="PRIDE" />
  </cvList>
  <AnalysisSoftwareList>
    <AnalysisSoftware name="PeptideShaker" version="0.38.2"
    id="ID_software" uri="http://peptide-shaker.googlecode.com">
      <ContactRole contact_ref="PS_DEV">
        <Role>
          <cvParam cvRef="PSI-MS" accession="MS:1001267"
          name="software vendor" value="CompOmics" />
        </Role>
      </ContactRole>
      <SoftwareName>
        <cvParam cvRef="PSI-MS" accession="MS:1002458"
        name="PeptideShaker" />
      </SoftwareName>
      <Customizations>No customisations</Customizations>
    </AnalysisSoftware>
  </AnalysisSoftwareList>
  <Provider id="PROVIDER">
    <ContactRole contact_ref="PROVIDER">
      <Role>
        <cvParam cvRef="PSI-MS" accession="MS:1001271"
        name="researcher" />
      </Role>
    </ContactRole>
  </Provider>
  <AuditCollection>
    <Person firstName="Proteomics" lastName="Galaxy" id="PROVIDER">
      <cvParam cvRef="PSI-MS" accession="MS:1000587"
      name="contact address" value="[e-mail]" />
      <cvParam cvRef="PSI-MS" accession="MS:1000589"
      name="contact email" value="[e-mail]" />
      <Affiliation organization_ref="ORG_DOC_OWNER" />
    </Person>
    <Organization name="University of Minnesota"
    id="ORG_DOC_OWNER">
      <cvParam cvRef="PSI-MS" accession="MS:1000586"
      name="contact name" value="University of Minnesota" />
      <cvParam cvRef="PSI-MS" accession="MS:1000587"
      name="contact address"
      value="Minneapolis, MN 55455, Vereinigte Staaten" />
      <cvParam cvRef="PSI-MS" accession="MS:1000589"
      name="contact email" value="[e-mail]" />
    </Organization>
    <Organization name="PeptideShaker developers" id="PS_DEV">
      <cvParam cvRef="PSI-MS" accession="MS:1000586"
      name="contact name" value="PeptideShaker developers" />
      <cvParam cvRef="PSI-MS" accession="MS:1000587"
      name="contact address"
      value="Proteomics Unit, Building for Basic Biology, University of Bergen, Jonas Liesvei 91, N-5009 Bergen, Norway" />
      <cvParam cvRef="PSI-MS" accession="MS:1000588"
      name="contact url"
      value="http://peptide-shaker.googlecode.com" />
      <cvParam cvRef="PSI-MS" accession="MS:1000589"
      name="contact email"
      value="[e-mail]" />
    </Organization>
  </AuditCollection>
  <SequenceCollection>
    <DBSequence id="JEMP01000193.1_rev_g3500.t1"
    accession="JEMP01000193.1_rev_g3500.t1"
    searchDatabase_ref="SearchDB_1">
      <cvParam cvRef="PSI-MS" accession="MS:1001088"
      name="protein description" value="280755|283436" />
    </DBSequence>
    <DBSequence id="JEMP01000061.1_rev_g10170.t1"
    accession="JEMP01000061.1_rev_g10170.t1"
    searchDatabase_ref="SearchDB_1">
      <cvParam cvRef="PSI-MS" accession="MS:1001088"
      name="protein description" value="36066|38753" />
    </DBSequence>
    <Peptide id="KSPVYKVHFTR">
      <PeptideSequence>KSPVYKVHFTR</PeptideSequence>
    </Peptide>
    <Peptide id="SKIPFIVIFDPIEAAR">
      <PeptideSequence>SQIPFLVLFDPIEAAR</PeptideSequence>
    </Peptide>
    <Peptide id="SSGNWINIFNPATPSFR">
      <PeptideSequence>SSGNWLNLFNPATPSFR</PeptideSequence>
    </Peptide>
    <Peptide id="GGIDSWNAIGYIPVKDFDYK">
      <PeptideSequence>GGIDSWNALGYIPVQDFDYK</PeptideSequence>
    </Peptide>
    <Peptide id="GKSGNPMIMIDITDISDSR">
      <PeptideSequence>GQSGNPMLMLDLTDLSDSR</PeptideSequence>
    </Peptide>
    <Peptide id="TIEYSYNDFCISEMAAGIGGR">
      <PeptideSequence>TLEYSYNDFCISEMAAGLGGR</PeptideSequence>
      <Modification monoisotopicMassDelta="57.021464" residues="C"
      location="10">
        <cvParam cvRef="UNIMOD" accession="UNIMOD:4"
        name="Carbamidomethyl" value="57.021464" />
      </Modification>
    </Peptide>
    <Peptide id="TAIFNFRFPK">
      <PeptideSequence>TALFNFRFPK</PeptideSequence>
    </Peptide>
    <Peptide id="NWIGHEFFIK">
      <PeptideSequence>NWIGHEFFLK</PeptideSequence>
    </Peptide>
    <Peptide id="TWGFKDPIGCSKIDEK">
      <PeptideSequence>TWGFQDPLGCSQIDEK</PeptideSequence>
      <Modification monoisotopicMassDelta="57.021464" residues="C"
      location="10">
        <cvParam cvRef="UNIMOD" accession="UNIMOD:4"
        name="Carbamidomethyl" value="57.021464" />
      </Modification>
    </Peptide>
    <Peptide id="DGHVFAGASIPYGIAK">
      <PeptideSequence>DGHVFAGASLPYGLAK</PeptideSequence>
    </Peptide>
    <Peptide id="SIIDTYKHEGWIPDCR">
      <PeptideSequence>SLIDTYKHEGWLPDCR</PeptideSequence>
      <Modification monoisotopicMassDelta="57.021464" residues="C"
      location="15">
        <cvParam cvRef="UNIMOD" accession="UNIMOD:4"
        name="Carbamidomethyl" value="57.021464" />
      </Modification>
    </Peptide>
    <Peptide id="DATVEPFDWCCKGR">
      <PeptideSequence>DATVEPFDWCCQGR</PeptideSequence>
      <Modification monoisotopicMassDelta="57.021464" residues="C"
      location="10">
        <cvParam cvRef="UNIMOD" accession="UNIMOD:4"
        name="Carbamidomethyl" value="57.021464" />
      </Modification>
      <Modification monoisotopicMassDelta="57.021464" residues="C"
      location="11">
        <cvParam cvRef="UNIMOD" accession="UNIMOD:4"
        name="Carbamidomethyl" value="57.021464" />
      </Modification>
    </Peptide>
    <Peptide id="IVNNIAVEMTTAR">
      <PeptideSequence>LVNNIAVEMTTAR</PeptideSequence>
    </Peptide>
    <Peptide id="IYDTGIFANSR">
      <PeptideSequence>IYDTGIFANSR</PeptideSequence>
    </Peptide>
    <Peptide id="SINGYPIPGGGTVR">
      <PeptideSequence>SINGYPLPGGGTVR</PeptideSequence>
    </Peptide>
    <Peptide id="FEPPAKETDPITAR">
      <PeptideSequence>FEPPAKETDPITAR</PeptideSequence>
    </Peptide>
    <Peptide id="ENIDWNEGYK">
      <PeptideSequence>ENIDWNEGYK</PeptideSequence>
    </Peptide>
    <Peptide id="RAHYYVPR">
      <PeptideSequence>RAHYYVPR</PeptideSequence>
    </Peptide>
    <PeptideEvidence isDecoy="false" pre="K" post="G" start="712"
    end="722" peptide_ref="KSPVYKVHFTR"
    dBSequence_ref="JEMP01000193.1_rev_g3500.t1" id="PepEv_1" />
    <PeptideEvidence isDecoy="false" pre="R" post="E" start="552"
    end="568" peptide_ref="SSGNWINIFNPATPSFR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1" id="PepEv_232" />
    <PeptideEvidence isDecoy="false" pre="R" post="G" start="491"
    end="510" peptide_ref="GGIDSWNAIGYIPVKDFDYK"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1" id="PepEv_266" />
    <PeptideEvidence isDecoy="false" pre="K" post="Q" start="192"
    end="210" peptide_ref="GKSGNPMIMIDITDISDSR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1" id="PepEv_532" />
    <PeptideEvidence isDecoy="false" pre="R" post="Q" start="522"
    end="542" peptide_ref="TIEYSYNDFCISEMAAGIGGR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1" id="PepEv_663" />
    <PeptideEvidence isDecoy="false" pre="R" post="G" start="182"
    end="191" peptide_ref="TAIFNFRFPK"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1" id="PepEv_963" />
    <PeptideEvidence isDecoy="false" pre="K" post="G" start="783"
    end="792" peptide_ref="NWIGHEFFIK"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_1108" />
    <PeptideEvidence isDecoy="false" pre="R" post="G" start="591"
    end="606" peptide_ref="TWGFKDPIGCSKIDEK"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_1474" />
    <PeptideEvidence isDecoy="false" pre="K" post="A" start="67"
    end="82" peptide_ref="DGHVFAGASIPYGIAK"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_1796" />
    <PeptideEvidence isDecoy="false" pre="R" post="M" start="420"
    end="435" peptide_ref="SIIDTYKHEGWIPDCR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_1829" />
    <PeptideEvidence isDecoy="false" pre="K" post="G" start="477"
    end="490" peptide_ref="DATVEPFDWCCKGR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_1958" />
    <PeptideEvidence isDecoy="false" pre="K" post="R" start="168"
    end="180" peptide_ref="IVNNIAVEMTTAR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_2003" />
    <PeptideEvidence isDecoy="false" pre="K" post="A" start="253"
    end="263" peptide_ref="IYDTGIFANSR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_2093" />
    <PeptideEvidence isDecoy="false" pre="R" post="F" start="276"
    end="289" peptide_ref="SINGYPIPGGGTVR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_2130" />
    <PeptideEvidence isDecoy="false" pre="R" post="V" start="290"
    end="303" peptide_ref="FEPPAKETDPITAR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_2202" />
    <PeptideEvidence isDecoy="false" pre="K" post="A" start="463"
    end="472" peptide_ref="ENIDWNEGYK"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_2204" />
    <PeptideEvidence isDecoy="false" pre="K" post="E" start="688"
    end="695" peptide_ref="RAHYYVPR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_2444" />
    <PeptideEvidence isDecoy="false" pre="R" post="M" start="401"
    end="416" peptide_ref="SKIPFIVIFDPIEAAR"
    dBSequence_ref="JEMP01000061.1_rev_g10170.t1"
    id="PepEv_3117" />
  </SequenceCollection>
  <AnalysisCollection>
    <SpectrumIdentification spectrumIdentificationList_ref="SIL_1"
    spectrumIdentificationProtocol_ref="SearchProtocol_1"
    id="SpecIdent_1">
      <InputSpectra spectraData_ref="ma201_Vp_1-10.mzML.mgf" />
      <InputSpectra spectraData_ref="ma201_Vp_11-20.mzML.mgf" />
      <SearchDatabaseRef searchDatabase_ref="SearchDB_1" />
    </SpectrumIdentification>
    <ProteinDetection proteinDetectionProtocol_ref="PeptideShaker_1"
    proteinDetectionList_ref="Protein_groups" id="PD_1">
      <InputSpectrumIdentifications spectrumIdentificationList_ref="SIL_1" />
    </ProteinDetection>
  </AnalysisCollection>
  <AnalysisProtocolCollection>
    <SpectrumIdentificationProtocol analysisSoftware_ref="ID_software"
    id="SearchProtocol_1">
      <SearchType>
        <cvParam cvRef="PSI-MS" accession="MS:1001083"
        name="ms-ms search" />
      </SearchType>
      <AdditionalSearchParams>
        <cvParam cvRef="PSI-MS" accession="MS:1001211"
        name="parent mass type mono" />
        <cvParam cvRef="PSI-MS" accession="MS:1001256"
        name="fragment mass type mono" />
      </AdditionalSearchParams>
      <ModificationParams>
        <SearchModification residues="C" massDelta="57.021464"
        fixedMod="true">
          <cvParam cvRef="PSI-MS" accession="MS:1001460"
          name="unknown modification" />
          <cvParam cvRef="PSI-MS" accession="MS:1002504"
          name="modification index" value="0" />
        </SearchModification>
        <SearchModification residues="M" massDelta="15.994915"
        fixedMod="false">
          <cvParam cvRef="PSI-MS" accession="MS:1001460"
          name="unknown modification" />
          <cvParam cvRef="PSI-MS" accession="MS:1002504"
          name="modification index" value="1" />
        </SearchModification>
      </ModificationParams>
      <Enzymes independent="false">
        <Enzyme missedCleavages="2" semiSpecific="false" id="Enz1"
        name="Trypsin">
          <EnzymeName>
            <cvParam cvRef="PSI-MS" accession="MS:1001251"
            name="Trypsin" />
          </EnzymeName>
        </Enzyme>
      </Enzymes>
      <FragmentTolerance>
        <cvParam accession="MS:1001412" cvRef="PSI-MS"
        unitCvRef="UO" unitName="dalton" unitAccession="UO:0000221"
        value="0.2" name="search tolerance plus value" />
        <cvParam accession="MS:1001413" cvRef="PSI-MS"
        unitCvRef="UO" unitName="dalton" unitAccession="UO:0000221"
        value="0.2" name="search tolerance minus value" />
      </FragmentTolerance>
      <ParentTolerance>
        <cvParam accession="MS:1001412" cvRef="PSI-MS"
        unitCvRef="UO" unitName="parts per million"
        unitAccession="UO:0000169" value="50.0"
        name="search tolerance plus value" />
        <cvParam accession="MS:1001413" cvRef="PSI-MS"
        unitCvRef="UO" unitName="parts per million"
        unitAccession="UO:0000169" value="50.0"
        name="search tolerance minus value" />
      </ParentTolerance>
      <Threshold>
        <cvParam cvRef="PSI-MS" accession="MS:1001364"
        name="distinct peptide-level global FDR" value="1.0" />
        <cvParam cvRef="PSI-MS" accession="MS:1002350"
        name="PSM-level global FDR" value="1.0" />
        <cvParam cvRef="PSI-MS" accession="MS:1002557"
        name="D-score threshold" value="95.0" />
      </Threshold>
    </SpectrumIdentificationProtocol>
    <ProteinDetectionProtocol analysisSoftware_ref="ID_software"
    id="PeptideShaker_1">
      <Threshold>
        <cvParam cvRef="PSI-MS" accession="MS:1002369"
        name="protein group-level global FDR" value="0.01" />
      </Threshold>
    </ProteinDetectionProtocol>
  </AnalysisProtocolCollection>
  <DataCollection>
    <Inputs>
      <SourceFile location="/data/galaxy/galaxy/database/job_working_directory/018/18515/PeptideShakerCLI/.PeptideShaker_unzip_temp/searchgui_input_PeptideShaker_temp/ma201_Vp_1-10.mzML.comet.pep.xml"
      id="SourceFile_1">
        <FileFormat>
          <cvParam cvRef="PSI-MS" accession="MS:1001421"
          name="pepXML format" />
        </FileFormat>
      </SourceFile>
      <SourceFile location="/data/galaxy/galaxy/database/job_working_directory/018/18515/PeptideShakerCLI/.PeptideShaker_unzip_temp/searchgui_input_PeptideShaker_temp/ma201_Vp_1-10.mzML.msgf.mzid"
      id="SourceFile_2">
        <FileFormat>
          <cvParam cvRef="PSI-MS" accession="MS:1002073"
          name="mzIdentML format" />
        </FileFormat>
      </SourceFile>
      <SourceFile location="/data/galaxy/galaxy/database/job_working_directory/018/18515/PeptideShakerCLI/.PeptideShaker_unzip_temp/searchgui_input_PeptideShaker_temp/ma201_Vp_11-20.mzML.comet.pep.xml"
      id="SourceFile_3">
        <FileFormat>
          <cvParam cvRef="PSI-MS" accession="MS:1001421"
          name="pepXML format" />
        </FileFormat>
      </SourceFile>
      <SourceFile location="/data/galaxy/galaxy/database/job_working_directory/018/18515/PeptideShakerCLI/.PeptideShaker_unzip_temp/searchgui_input_PeptideShaker_temp/ma201_Vp_11-20.mzML.msgf.mzid"
      id="SourceFile_4">
        <FileFormat>
          <cvParam cvRef="PSI-MS" accession="MS:1002073"
          name="mzIdentML format" />
        </FileFormat>
      </SourceFile>
      <SearchDatabase numDatabaseSequences="23866"
      location="/data/galaxy/galaxy/database/job_working_directory/018/18515/PeptideShakerCLI/.PeptideShaker_unzip_temp/peptideshaker_output_PeptideShaker_temp/data/input_database.fasta"
      id="SearchDB_1">
        <FileFormat>
          <cvParam cvRef="PSI-MS" accession="MS:1001348"
          name="FASTA format" />
        </FileFormat>
        <DatabaseName>
          <userParam name="input_database.fasta" />
        </DatabaseName>
        <cvParam cvRef="PSI-MS" accession="MS:1001073"
        name="database type amino acid" />
      </SearchDatabase>
      <SpectraData location="/data/galaxy/galaxy/database/job_working_directory/018/18515/PeptideShakerCLI/.PeptideShaker_unzip_temp/peptideshaker_output_PeptideShaker_temp/data/ma201_Vp_1-10.mzML.mgf"
      id="ma201_Vp_1-10.mzML.mgf" name="ma201_Vp_1-10.mzML.mgf">
        <FileFormat>
          <cvParam cvRef="PSI-MS" accession="MS:1001062"
          name="Mascot MGF file" />
        </FileFormat>
        <SpectrumIDFormat>
          <cvParam cvRef="PSI-MS" accession="MS:1000774"
          name="multiple peak list nativeID format" />
        </SpectrumIDFormat>
      </SpectraData>
      <SpectraData location="/data/galaxy/galaxy/database/job_working_directory/018/18515/PeptideShakerCLI/.PeptideShaker_unzip_temp/peptideshaker_output_PeptideShaker_temp/data/ma201_Vp_11-20.mzML.mgf"
      id="ma201_Vp_11-20.mzML.mgf" name="ma201_Vp_11-20.mzML.mgf">
        <FileFormat>
          <cvParam cvRef="PSI-MS" accession="MS:1001062"
          name="Mascot MGF file" />
        </FileFormat>
        <SpectrumIDFormat>
          <cvParam cvRef="PSI-MS" accession="MS:1000774"
          name="multiple peak list nativeID format" />
        </SpectrumIDFormat>
      </SpectraData>
    </Inputs>
    <AnalysisData>
      <SpectrumIdentificationList id="SIL_1">
        <FragmentationTable>
          <Measure id="Measure_MZ">
            <cvParam unitCvRef="PSI-MS" accession="MS:1001225"
            cvRef="PSI-MS" unitName="m/z"
            unitAccession="MS:1000040" name="product ion m/z" />
          </Measure>
          <Measure id="Measure_Int">
            <cvParam accession="MS:1001226" cvRef="PSI-MS"
            name="product ion intensity" />
          </Measure>
          <Measure id="Measure_Error">
            <cvParam unitCvRef="PSI-MS" accession="MS:1001227"
            cvRef="PSI-MS" unitName="m/z"
            unitAccession="MS:1000040"
            name="product ion m/z error" />
          </Measure>
        </FragmentationTable>
        <SpectrumIdentificationResult spectraData_ref="ma201_Vp_1-10.mzML.mgf"
        spectrumID="index=3152" id="SIR_1">
          <SpectrumIdentificationItem passThreshold="false"
          rank="1" peptide_ref="KSPVYKVHFTR"
          calculatedMassToCharge="1360.7615466836999"
          experimentalMassToCharge="1362.805053710938"
          chargeState="1" id="SII_1_1">
            <PeptideEvidenceRef peptideEvidence_ref="PepEv_1" />
            <Fragmentation>
              <IonType charge="1" index="1 4">
                <FragmentArray measure_ref="Measure_MZ"
                values="175.2081208 560.3388993" />
                <FragmentArray measure_ref="Measure_Int"
                values="94.0459823608 116.2766723633" />
                <FragmentArray measure_ref="Measure_Error"
                values="0.08916864948798775 0.0449421494880653" />
                <cvParam cvRef="PSI-MS" accession="MS:1001220"
                name="frag: y ion" />
              </IonType>
            </Fragmentation>
            <cvParam cvRef="PSI-MS" accession="MS:1002466"
            name="PeptideShaker PSM score" value="0.0" />
            <cvParam cvRef="PSI-MS" accession="MS:1002467"
            name="PeptideShaker PSM confidence" value="0.0" />
            <cvParam cvRef="PSI-MS" accession="MS:1002052"
            name="MS-GF:SpecEValue" value="1.4757611E-6" />
            <cvParam cvRef="PSI-MS" accession="MS:1001117"
            name="theoretical mass" value="1360.7615466836999" />
            <cvParam cvRef="PSI-MS" accession="MS:1002543"
            name="PeptideShaker PSM confidence type"
            value="Not Validated" />
          </SpectrumIdentificationItem>
          <cvParam cvRef="PSI-MS" accession="MS:1000796"
          name="spectrum title"
          value="Suresh Vp 1 to 10_BAF.3535.3535.1" />
          <cvParam cvRef="PSI-MS" accession="MS:1000894"
          name="retention time" value="6855.00001" unitCvRef="UO"
          unitAccession="UO:0000010" unitName="seconds" />
        </SpectrumIdentificationResult>
        <SpectrumIdentificationResult spectraData_ref="ma201_Vp_1-10.mzML.mgf"
        spectrumID="index=3148" id="SIR_5">
          <SpectrumIdentificationItem passThreshold="true" rank="1"
          peptide_ref="SKIPFIVIFDPIEAAR"
          calculatedMassToCharge="1814.9930716837"
          experimentalMassToCharge="1816.015747070313"
          chargeState="1" id="SII_5_1">
            <PeptideEvidenceRef peptideEvidence_ref="PepEv_3117" />
            <Fragmentation>
              <IonType charge="1" index="2 3 4 5 6">
                <FragmentArray measure_ref="Measure_MZ"
                values="216.0671564 329.0897438 426.082943 573.1137528 686.1894091" />
                <FragmentArray measure_ref="Measure_Int"
                values="2255.6081542969 1348.0354003906 410.8401184082 590.9721679688 626.9710083008" />
                <FragmentArray measure_ref="Measure_Error"
                values="-0.030726066812007957 -0.09220266681199973 -0.15176746681203213 -0.1893716668118941 -0.19777936681191477" />
                <cvParam cvRef="PSI-MS" accession="MS:1001221"
                name="frag: b ion" />
              </IonType>
              <IonType charge="1" index="1 3 4 6">
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