mspire 0.8.0 → 0.8.1
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- data/README.md +60 -0
- data/Rakefile +16 -4
- data/VERSION +1 -1
- data/lib/mspire/imzml/writer/commandline.rb +1 -1
- data/lib/mspire/imzml/writer.rb +20 -1
- data/lib/mspire/mzml/cv.rb +3 -4
- data/obo/ims.obo +2 -4
- data/obo/ms.obo +708 -56
- data/obo/unit.obo +1 -1
- data/spec/mspire/imzml/writer_spec.rb +30 -0
- data/spec/testfiles/mspire/mzml/1_BB7_SIM_478.5.CHECK.ibd +0 -0
- data/spec/testfiles/mspire/mzml/1_BB7_SIM_478.5.CHECK.imzML +3975 -0
- data/spec/testfiles/mspire/mzml/mspire_simulated.MSn.check.mzML +2 -2
- metadata +6 -4
- data/README.rdoc +0 -24
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<?xml version="1.0" encoding="UTF-8"?>
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<mzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" version="1.1.0" id="09adcf50b815012fc73a0024e8b4cdae">
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<cvList count="3">
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<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" version="3.29.0"/>
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<cv id="UO" fullName="Unit Ontology" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo" version="12:10:2011"/>
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<cv id="IMS" fullName="Imaging MS Ontology" URI="http://www.maldi-msi.org/download/imzml/imagingMS.obo" version="0.9.1"/>
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</cvList>
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<fileDescription>
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<fileContent>
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<cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum"/>
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<cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum"/>
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<cvParam cvRef="IMS" accession="IMS:1000080" name="universally unique identifier" value="{09acc630-b815-012f-c739-0024e8b4cdae}"/>
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<cvParam cvRef="IMS" accession="IMS:1000091" name="ibd SHA-1" value="795f32fa9af3364e68226f30693c9656d8856110"/>
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<cvParam cvRef="IMS" accession="IMS:1000031" name="processed"/>
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</fileContent>
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<sourceFileList count="2">
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<sourceFile id="source_file_0" name="1_BB7_SIM_478.5.mzML" location="file:///home/jtprince/dev/mspire/spec/testfiles/mspire/mzml">
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<cvParam cvRef="MS" accession="MS:1000584" name="mzML file"/>
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<cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="4ced050e58f45352bb8071effb7862f60051a9f7"/>
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</sourceFile>
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<sourceFile id="source_file_1" name="1_BB7_SIM_478.5.mzML" location="file:///home/jtprince/dev/mspire/spec/testfiles/mspire/mzml">
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<cvParam cvRef="MS" accession="MS:1000584" name="mzML file"/>
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<cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="4ced050e58f45352bb8071effb7862f60051a9f7"/>
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</sourceFile>
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</sourceFileList>
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</fileDescription>
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<referenceableParamGroupList count="4">
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<referenceableParamGroup id="mz_array">
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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<cvParam cvRef="MS" accession="MS:1000576" name="no compression"/>
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<cvParam cvRef="IMS" accession="IMS:1000101" name="external data" value="true"/>
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<cvParam cvRef="MS" accession="MS:1000523" name="64-bit float"/>
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</referenceableParamGroup>
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<referenceableParamGroup id="intensity_array">
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<cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of counts"/>
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<cvParam cvRef="MS" accession="MS:1000576" name="no compression"/>
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<cvParam cvRef="IMS" accession="IMS:1000101" name="external data" value="true"/>
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<cvParam cvRef="MS" accession="MS:1000521" name="32-bit float"/>
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</referenceableParamGroup>
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<referenceableParamGroup id="scan1">
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<cvParam cvRef="MS" accession="MS:1000093" name="increasing m/z scan"/>
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</referenceableParamGroup>
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<referenceableParamGroup id="spectrum1">
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<cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum"/>
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<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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<cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum"/>
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<cvParam cvRef="MS" accession="MS:1000130" name="positive scan"/>
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</referenceableParamGroup>
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</referenceableParamGroupList>
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<softwareList count="1">
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<software id="mspire" version="0.8.0">
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<cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool"/>
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</software>
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</softwareList>
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<scanSettingsList count="1">
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<scanSettings id="scansettings1">
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<cvParam cvRef="IMS" accession="IMS:1000031" name="processed"/>
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<cvParam cvRef="IMS" accession="IMS:1000413" name="flyback"/>
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<cvParam cvRef="IMS" accession="IMS:1000480" name="horizontal line scan"/>
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<cvParam cvRef="IMS" accession="IMS:1000402" name="left right"/>
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<cvParam cvRef="IMS" accession="IMS:1000493" name="linescan top down"/>
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<cvParam cvRef="IMS" accession="IMS:1000042" name="max count of pixels x" value="72"/>
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<cvParam cvRef="IMS" accession="IMS:1000043" name="max count of pixels y" value="2"/>
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<cvParam cvRef="IMS" accession="IMS:1000044" name="max dimension x" value="72" unitCvRef="UO" unitAccession="UO:0000017" unitName="micrometer"/>
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<cvParam cvRef="IMS" accession="IMS:1000045" name="max dimension y" value="2" unitCvRef="UO" unitAccession="UO:0000017" unitName="micrometer"/>
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<cvParam cvRef="IMS" accession="IMS:1000046" name="pixel size" value="1.0" unitCvRef="UO" unitAccession="UO:0000017" unitName="micrometer"/>
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<cvParam cvRef="IMS" accession="IMS:1000047" name="image shape" value="1" unitCvRef="UO" unitAccession="UO:0000017" unitName="micrometer"/>
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</scanSettings>
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</scanSettingsList>
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<instrumentConfigurationList count="1">
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<instrumentConfiguration id="borrow_from_mzml">
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<componentList count="0">
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</componentList>
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</instrumentConfiguration>
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</instrumentConfigurationList>
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<dataProcessingList count="1">
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<dataProcessing id="mzml_to_imzml">
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<processingMethod order="0" softwareRef="mspire">
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<cvParam cvRef="MS" accession="MS:1000530" name="file format conversion"/>
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</processingMethod>
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</dataProcessing>
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</dataProcessingList>
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<run id="run1" defaultInstrumentConfigurationRef="borrow_from_mzml">
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<spectrumList count="144" defaultDataProcessingRef="mzml_to_imzml">
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<spectrum id="spectrum0" index="0" defaultArrayLength="0" sourceFileRef="source_file_0">
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<referenceableParamGroupRef ref="spectrum1"/>
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<scanList count="1">
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<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
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<scan>
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<referenceableParamGroupRef ref="scan1"/>
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<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1"/>
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</scan>
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</scanList>
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<binaryDataArrayList count="2">
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="mz_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="16"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
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</binaryDataArray>
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="intensity_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="24"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
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</binaryDataArray>
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</binaryDataArrayList>
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</spectrum>
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<spectrum id="spectrum1" index="1" defaultArrayLength="0" sourceFileRef="source_file_0">
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<referenceableParamGroupRef ref="spectrum1"/>
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<scanList count="1">
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<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
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<scan>
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<referenceableParamGroupRef ref="scan1"/>
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<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="2"/>
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<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1"/>
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</scan>
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</scanList>
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<binaryDataArrayList count="2">
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="mz_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="28"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
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</binaryDataArray>
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="intensity_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="36"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
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</binaryDataArray>
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</binaryDataArrayList>
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</spectrum>
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<spectrum id="spectrum2" index="2" defaultArrayLength="0" sourceFileRef="source_file_0">
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<referenceableParamGroupRef ref="spectrum1"/>
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<scanList count="1">
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<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
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<scan>
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<referenceableParamGroupRef ref="scan1"/>
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<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="3"/>
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<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1"/>
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</scan>
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</scanList>
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<binaryDataArrayList count="2">
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="mz_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="40"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
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</binaryDataArray>
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="intensity_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="48"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
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</binaryDataArray>
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</binaryDataArrayList>
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</spectrum>
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<spectrum id="spectrum3" index="3" defaultArrayLength="0" sourceFileRef="source_file_0">
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<referenceableParamGroupRef ref="spectrum1"/>
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<scanList count="1">
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<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
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<scan>
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<referenceableParamGroupRef ref="scan1"/>
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<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="4"/>
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<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1"/>
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</scan>
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</scanList>
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<binaryDataArrayList count="2">
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="mz_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="52"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
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</binaryDataArray>
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="intensity_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="60"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
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</binaryDataArray>
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</binaryDataArrayList>
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</spectrum>
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<spectrum id="spectrum4" index="4" defaultArrayLength="0" sourceFileRef="source_file_0">
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<referenceableParamGroupRef ref="spectrum1"/>
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<scanList count="1">
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<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
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<scan>
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<referenceableParamGroupRef ref="scan1"/>
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<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="5"/>
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<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1"/>
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</scan>
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</scanList>
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<binaryDataArrayList count="2">
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="mz_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="64"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
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</binaryDataArray>
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<binaryDataArray encodedLength="0">
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<referenceableParamGroupRef ref="intensity_array"/>
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<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
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<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
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<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="72"/>
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<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
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</binaryDataArray>
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</binaryDataArrayList>
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</spectrum>
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<spectrum id="spectrum5" index="5" defaultArrayLength="0" sourceFileRef="source_file_0">
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<referenceableParamGroupRef ref="spectrum1"/>
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<scanList count="1">
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<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
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<scan>
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<referenceableParamGroupRef ref="scan1"/>
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<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="6"/>
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1932
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|
|
1958
|
+
<binaryDataArrayList count="2">
|
|
1959
|
+
<binaryDataArray encodedLength="0">
|
|
1960
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
1961
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
1962
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
1963
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="844"/>
|
|
1964
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
1965
|
+
</binaryDataArray>
|
|
1966
|
+
<binaryDataArray encodedLength="0">
|
|
1967
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
1968
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
1969
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
1970
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="852"/>
|
|
1971
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
1972
|
+
</binaryDataArray>
|
|
1973
|
+
</binaryDataArrayList>
|
|
1974
|
+
</spectrum>
|
|
1975
|
+
<spectrum id="spectrum70" index="70" defaultArrayLength="0" sourceFileRef="source_file_0">
|
|
1976
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
1977
|
+
<scanList count="1">
|
|
1978
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
1979
|
+
<scan>
|
|
1980
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
1981
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="71"/>
|
|
1982
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1"/>
|
|
1983
|
+
</scan>
|
|
1984
|
+
</scanList>
|
|
1985
|
+
<binaryDataArrayList count="2">
|
|
1986
|
+
<binaryDataArray encodedLength="0">
|
|
1987
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
1988
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
1989
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
1990
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="856"/>
|
|
1991
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
1992
|
+
</binaryDataArray>
|
|
1993
|
+
<binaryDataArray encodedLength="0">
|
|
1994
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
1995
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
1996
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
1997
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="864"/>
|
|
1998
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
1999
|
+
</binaryDataArray>
|
|
2000
|
+
</binaryDataArrayList>
|
|
2001
|
+
</spectrum>
|
|
2002
|
+
<spectrum id="spectrum71" index="71" defaultArrayLength="0" sourceFileRef="source_file_0">
|
|
2003
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
2004
|
+
<scanList count="1">
|
|
2005
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
2006
|
+
<scan>
|
|
2007
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
2008
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="72"/>
|
|
2009
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1"/>
|
|
2010
|
+
</scan>
|
|
2011
|
+
</scanList>
|
|
2012
|
+
<binaryDataArrayList count="2">
|
|
2013
|
+
<binaryDataArray encodedLength="0">
|
|
2014
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
2015
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2016
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2017
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="868"/>
|
|
2018
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
2019
|
+
</binaryDataArray>
|
|
2020
|
+
<binaryDataArray encodedLength="0">
|
|
2021
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
2022
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2023
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2024
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="876"/>
|
|
2025
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
2026
|
+
</binaryDataArray>
|
|
2027
|
+
</binaryDataArrayList>
|
|
2028
|
+
</spectrum>
|
|
2029
|
+
<spectrum id="spectrum72" index="72" defaultArrayLength="0" sourceFileRef="source_file_1">
|
|
2030
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
2031
|
+
<scanList count="1">
|
|
2032
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
2033
|
+
<scan>
|
|
2034
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
2035
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="1"/>
|
|
2036
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/>
|
|
2037
|
+
</scan>
|
|
2038
|
+
</scanList>
|
|
2039
|
+
<binaryDataArrayList count="2">
|
|
2040
|
+
<binaryDataArray encodedLength="0">
|
|
2041
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
2042
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2043
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2044
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="880"/>
|
|
2045
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
2046
|
+
</binaryDataArray>
|
|
2047
|
+
<binaryDataArray encodedLength="0">
|
|
2048
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
2049
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2050
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2051
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="888"/>
|
|
2052
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
2053
|
+
</binaryDataArray>
|
|
2054
|
+
</binaryDataArrayList>
|
|
2055
|
+
</spectrum>
|
|
2056
|
+
<spectrum id="spectrum73" index="73" defaultArrayLength="0" sourceFileRef="source_file_1">
|
|
2057
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
2058
|
+
<scanList count="1">
|
|
2059
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
2060
|
+
<scan>
|
|
2061
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
2062
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="2"/>
|
|
2063
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/>
|
|
2064
|
+
</scan>
|
|
2065
|
+
</scanList>
|
|
2066
|
+
<binaryDataArrayList count="2">
|
|
2067
|
+
<binaryDataArray encodedLength="0">
|
|
2068
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
2069
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2070
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2071
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="892"/>
|
|
2072
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
2073
|
+
</binaryDataArray>
|
|
2074
|
+
<binaryDataArray encodedLength="0">
|
|
2075
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
2076
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2077
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2078
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="900"/>
|
|
2079
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
2080
|
+
</binaryDataArray>
|
|
2081
|
+
</binaryDataArrayList>
|
|
2082
|
+
</spectrum>
|
|
2083
|
+
<spectrum id="spectrum74" index="74" defaultArrayLength="0" sourceFileRef="source_file_1">
|
|
2084
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
2085
|
+
<scanList count="1">
|
|
2086
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
2087
|
+
<scan>
|
|
2088
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
2089
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="3"/>
|
|
2090
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/>
|
|
2091
|
+
</scan>
|
|
2092
|
+
</scanList>
|
|
2093
|
+
<binaryDataArrayList count="2">
|
|
2094
|
+
<binaryDataArray encodedLength="0">
|
|
2095
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
2096
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2097
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2098
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="904"/>
|
|
2099
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
2100
|
+
</binaryDataArray>
|
|
2101
|
+
<binaryDataArray encodedLength="0">
|
|
2102
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
2103
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2104
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2105
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="912"/>
|
|
2106
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
2107
|
+
</binaryDataArray>
|
|
2108
|
+
</binaryDataArrayList>
|
|
2109
|
+
</spectrum>
|
|
2110
|
+
<spectrum id="spectrum75" index="75" defaultArrayLength="0" sourceFileRef="source_file_1">
|
|
2111
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
2112
|
+
<scanList count="1">
|
|
2113
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
2114
|
+
<scan>
|
|
2115
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
2116
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="4"/>
|
|
2117
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/>
|
|
2118
|
+
</scan>
|
|
2119
|
+
</scanList>
|
|
2120
|
+
<binaryDataArrayList count="2">
|
|
2121
|
+
<binaryDataArray encodedLength="0">
|
|
2122
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
2123
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2124
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2125
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="916"/>
|
|
2126
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
2127
|
+
</binaryDataArray>
|
|
2128
|
+
<binaryDataArray encodedLength="0">
|
|
2129
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
2130
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2131
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2132
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="924"/>
|
|
2133
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
2134
|
+
</binaryDataArray>
|
|
2135
|
+
</binaryDataArrayList>
|
|
2136
|
+
</spectrum>
|
|
2137
|
+
<spectrum id="spectrum76" index="76" defaultArrayLength="0" sourceFileRef="source_file_1">
|
|
2138
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
2139
|
+
<scanList count="1">
|
|
2140
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
2141
|
+
<scan>
|
|
2142
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
2143
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="5"/>
|
|
2144
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/>
|
|
2145
|
+
</scan>
|
|
2146
|
+
</scanList>
|
|
2147
|
+
<binaryDataArrayList count="2">
|
|
2148
|
+
<binaryDataArray encodedLength="0">
|
|
2149
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
2150
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2151
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2152
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="928"/>
|
|
2153
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
2154
|
+
</binaryDataArray>
|
|
2155
|
+
<binaryDataArray encodedLength="0">
|
|
2156
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
2157
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2158
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2159
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="936"/>
|
|
2160
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
2161
|
+
</binaryDataArray>
|
|
2162
|
+
</binaryDataArrayList>
|
|
2163
|
+
</spectrum>
|
|
2164
|
+
<spectrum id="spectrum77" index="77" defaultArrayLength="0" sourceFileRef="source_file_1">
|
|
2165
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
2166
|
+
<scanList count="1">
|
|
2167
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
2168
|
+
<scan>
|
|
2169
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
2170
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="6"/>
|
|
2171
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/>
|
|
2172
|
+
</scan>
|
|
2173
|
+
</scanList>
|
|
2174
|
+
<binaryDataArrayList count="2">
|
|
2175
|
+
<binaryDataArray encodedLength="0">
|
|
2176
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
2177
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2178
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2179
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="940"/>
|
|
2180
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
2181
|
+
</binaryDataArray>
|
|
2182
|
+
<binaryDataArray encodedLength="0">
|
|
2183
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
2184
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
2185
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
2186
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="948"/>
|
|
2187
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
2188
|
+
</binaryDataArray>
|
|
2189
|
+
</binaryDataArrayList>
|
|
2190
|
+
</spectrum>
|
|
2191
|
+
<spectrum id="spectrum78" index="78" defaultArrayLength="0" sourceFileRef="source_file_1">
|
|
2192
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
2193
|
+
<scanList count="1">
|
|
2194
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
2195
|
+
<scan>
|
|
2196
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
2197
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="7"/>
|
|
2198
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/>
|
|
2199
|
+
</scan>
|
|
2200
|
+
</scanList>
|
|
2201
|
+
<binaryDataArrayList count="2">
|
|
2202
|
+
<binaryDataArray encodedLength="0">
|
|
2203
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
2204
|
+
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|
|
3908
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
3909
|
+
</binaryDataArray>
|
|
3910
|
+
<binaryDataArray encodedLength="0">
|
|
3911
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
3912
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
3913
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
3914
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="1716"/>
|
|
3915
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
3916
|
+
</binaryDataArray>
|
|
3917
|
+
</binaryDataArrayList>
|
|
3918
|
+
</spectrum>
|
|
3919
|
+
<spectrum id="spectrum142" index="142" defaultArrayLength="0" sourceFileRef="source_file_1">
|
|
3920
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
3921
|
+
<scanList count="1">
|
|
3922
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
3923
|
+
<scan>
|
|
3924
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
3925
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="71"/>
|
|
3926
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/>
|
|
3927
|
+
</scan>
|
|
3928
|
+
</scanList>
|
|
3929
|
+
<binaryDataArrayList count="2">
|
|
3930
|
+
<binaryDataArray encodedLength="0">
|
|
3931
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
3932
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
3933
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
3934
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="1720"/>
|
|
3935
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
3936
|
+
</binaryDataArray>
|
|
3937
|
+
<binaryDataArray encodedLength="0">
|
|
3938
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
3939
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
3940
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
3941
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="1728"/>
|
|
3942
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
3943
|
+
</binaryDataArray>
|
|
3944
|
+
</binaryDataArrayList>
|
|
3945
|
+
</spectrum>
|
|
3946
|
+
<spectrum id="spectrum143" index="143" defaultArrayLength="0" sourceFileRef="source_file_1">
|
|
3947
|
+
<referenceableParamGroupRef ref="spectrum1"/>
|
|
3948
|
+
<scanList count="1">
|
|
3949
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
|
|
3950
|
+
<scan>
|
|
3951
|
+
<referenceableParamGroupRef ref="scan1"/>
|
|
3952
|
+
<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="72"/>
|
|
3953
|
+
<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="2"/>
|
|
3954
|
+
</scan>
|
|
3955
|
+
</scanList>
|
|
3956
|
+
<binaryDataArrayList count="2">
|
|
3957
|
+
<binaryDataArray encodedLength="0">
|
|
3958
|
+
<referenceableParamGroupRef ref="mz_array"/>
|
|
3959
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
3960
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
3961
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="1732"/>
|
|
3962
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="8"/>
|
|
3963
|
+
</binaryDataArray>
|
|
3964
|
+
<binaryDataArray encodedLength="0">
|
|
3965
|
+
<referenceableParamGroupRef ref="intensity_array"/>
|
|
3966
|
+
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array"/>
|
|
3967
|
+
<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1"/>
|
|
3968
|
+
<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="1740"/>
|
|
3969
|
+
<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4"/>
|
|
3970
|
+
</binaryDataArray>
|
|
3971
|
+
</binaryDataArrayList>
|
|
3972
|
+
</spectrum>
|
|
3973
|
+
</spectrumList>
|
|
3974
|
+
</run>
|
|
3975
|
+
</mzML>
|