Mercurial > repos > lecorguille > xcms_xcmsset
annotate test-data/xcms_plot_raw_testdata.mzML @ 34:6550698fe60f draft default tip
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
| author | workflow4metabolomics |
|---|---|
| date | Mon, 15 Jul 2024 16:02:04 +0000 |
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| rev | line source |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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1 <?xml version="1.0" encoding="ISO-8859-1"?> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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2 <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/mzML1.1.0_idx.xsd"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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3 <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="1.1.0"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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4 <cvList count="5"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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5 <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"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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6 <cv id="UO" fullName="Unit Ontology" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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7 <cv id="BTO" fullName="BrendaTissue545" version="unknown" URI="http://www.brenda-enzymes.info/ontology/tissue/tree/update/update_files/BrendaTissueOBO"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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8 <cv id="GO" fullName="Gene Ontology - Slim Versions" version="unknown" URI="http://www.geneontology.org/GO_slims/goslim_goa.obo"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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9 <cv id="PATO" fullName="Quality ontology" version="unknown" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/quality.obo"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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10 </cvList> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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11 <fileDescription> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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12 <fileContent> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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13 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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14 </fileContent> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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15 <sourceFileList count="1"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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16 <sourceFile id="sf_ru_0" name="RCX_06_shortened.mzML" location="file:///C:/Users/473355/Downloads"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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17 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="6c9fc5a54e7e588b4940994f66c953de66f8e8c5" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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18 <cvParam cvRef="MS" accession="MS:1000584" name="mzML format" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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19 <cvParam cvRef="MS" accession="MS:1000777" name="spectrum identifier nativeID format" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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20 </sourceFile> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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21 </sourceFileList> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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22 </fileDescription> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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23 <sampleList count="1"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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24 <sample id="sa_0" name=""> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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25 <cvParam cvRef="MS" accession="MS:1000004" name="sample mass" value="0" unitAccession="UO:0000021" unitName="gram" unitCvRef="UO" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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26 <cvParam cvRef="MS" accession="MS:1000005" name="sample volume" value="0" unitAccession="UO:0000098" unitName="milliliter" unitCvRef="UO" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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27 <cvParam cvRef="MS" accession="MS:1000006" name="sample concentration" value="0" unitAccession="UO:0000175" unitName="gram per liter" unitCvRef="UO" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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28 </sample> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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29 </sampleList> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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30 <softwareList count="2"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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31 <software id="so_in_0" version="" > |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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32 <cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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33 </software> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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34 <software id="so_default" version="" > |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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35 <cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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36 </software> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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37 </softwareList> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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38 <instrumentConfigurationList count="1"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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39 <instrumentConfiguration id="ic_0"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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40 <cvParam cvRef="MS" accession="MS:1000031" name="instrument model" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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41 <softwareRef ref="so_in_0" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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42 </instrumentConfiguration> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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43 </instrumentConfigurationList> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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44 <dataProcessingList count="1"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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45 <dataProcessing id="dp_sp_0"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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46 <processingMethod order="0" softwareRef="so_default"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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47 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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48 <userParam name="warning" type="xsd:string" value="fictional processing method used to fulfill format requirements" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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49 </processingMethod> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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50 </dataProcessing> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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51 </dataProcessingList> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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52 <run id="ru_0" defaultInstrumentConfigurationRef="ic_0" sampleRef="sa_0" defaultSourceFileRef="sf_ru_0"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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53 <userParam name="mzml_id" type="xsd:string" value="MZmine mzML export"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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54 <spectrumList count="4" defaultDataProcessingRef="dp_sp_0"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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55 <spectrum id="scan=126" index="0" defaultArrayLength="31" dataProcessingRef="dp_sp_0"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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56 <cvParam cvRef="MS" accession="MS:1000128" name="profile spectrum" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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57 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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58 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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59 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="6.0450043e09"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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60 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="108.907723264639685" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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61 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1111.100247713231283" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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62 <userParam name="filter string" type="xsd:string" value="FTMS + p ESI Full ms [110.0000-1100.0000]"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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63 <scanList count="1"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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64 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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65 <scan > |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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66 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="171.55917" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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67 <userParam name="MS:1000130" type="xsd:string" value=""/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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68 <scanWindowList count="1"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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69 <scanWindow> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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70 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="110" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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71 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1100" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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72 </scanWindow> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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|
73 </scanWindowList> |
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workflow4metabolomics
parents:
diff
changeset
|
74 </scan> |
|
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planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
75 </scanList> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
76 <binaryDataArrayList count="2"> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
77 <binaryDataArray encodedLength="332"> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
78 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
79 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" /> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
80 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" /> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
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changeset
|
81 <binary>r5exsg4iY0CIh5zHECJjQFnOh9wSImNAI2xz8RQiY0DoYF8GFyJjQKWsSxsZImNAXU84MBsiY0ANSSVFHSJjQLiZElofImNAXUEAbyEiY0D8P+6DIyJjQJOV3JglImNAJkLLrSciY0DAvI+5WyJjQNE+h85dImNA4Bd/418iY0DqR3f4YSJjQO/Obw1kImNA8qxoImYiY0DPgTgP4yJjQHoaRiTlImNAJgpUOeciY0DTUGJO6SJjQIDucGPrImNAL+N/eO0iY0AdcL2ZPCNjQC+m2a4+I2NARjP2w0AjY0BhFxPZQiNjQIBSMO5EI2NAo+RNA0cjY0A=</binary> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
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82 </binaryDataArray> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
83 <binaryDataArray encodedLength="168"> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
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changeset
|
84 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of detector counts" unitCvRef="MS"/> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
85 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" /> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
86 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" /> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
|
87 <binary>n7xcRxLCpkdqnyZJdS8vSqhE/UqdaFZLB+CHS17TUEvmdfVKVOwpSrriTEnEfoNIuSX9R9s+AkfErrtHYdANSIrABki7tKBH5HDURtM8ekc5hvNHwH4WSPywAkjmQaxHN1ktR2ZZFEeHy8hHHs8kSFVNMEgs2v1HAyl6Rw==</binary> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
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|
88 </binaryDataArray> |
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workflow4metabolomics
parents:
diff
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89 </binaryDataArrayList> |
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6550698fe60f
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workflow4metabolomics
parents:
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90 </spectrum> |
|
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workflow4metabolomics
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diff
changeset
|
91 <spectrum id="scan=127" index="1" defaultArrayLength="25"> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
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changeset
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92 <cvParam cvRef="MS" accession="MS:1000128" name="profile spectrum" /> |
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6550698fe60f
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parents:
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changeset
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93 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" /> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
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changeset
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94 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" /> |
|
6550698fe60f
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workflow4metabolomics
parents:
diff
changeset
|
95 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="7.4992742e09"/> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
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changeset
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96 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="108.907733023156396" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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changeset
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97 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1111.100738826513407" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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diff
changeset
|
98 <userParam name="filter string" type="xsd:string" value="FTMS + p ESI Full ms [110.0000-1100.0000]"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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changeset
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99 <scanList count="1"> |
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workflow4metabolomics
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100 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" /> |
|
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101 <scan > |
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6550698fe60f
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102 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="171.92241" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" /> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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103 <userParam name="MS:1000130" type="xsd:string" value=""/> |
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6550698fe60f
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104 <scanWindowList count="1"> |
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105 <scanWindow> |
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6550698fe60f
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workflow4metabolomics
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106 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="110" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
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107 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1100" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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108 </scanWindow> |
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109 </scanWindowList> |
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110 </scan> |
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6550698fe60f
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workflow4metabolomics
parents:
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111 </scanList> |
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parents:
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changeset
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112 <binaryDataArrayList count="2"> |
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planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
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113 <binaryDataArray encodedLength="268"> |
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planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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114 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
diff
changeset
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115 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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changeset
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116 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" /> |
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6550698fe60f
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workflow4metabolomics
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117 <binary>dPjCarchY0C7p59/uSFjQPetfJS7IWNAKgtaqb0hY0BUvze+vyFjQHPKFdPBIWNAiiz058MhY0Bu8yXYDiJjQFnnEO0QImNAPTL8ARMiY0Ab1OcWFSJjQPPM0ysXImNAwxzAQBkiY0COw6xVGyJjQFPBmWodImNAEBaHfx8iY0DIwXSUISJjQHrEYqkjImNAJR5RviUiY0AdSg3KWSJjQEd5BN9bImNAa//7810iY0CN3PMIYCJjQKsQ7B1iImNAxJvkMmQiY0A=</binary> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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118 </binaryDataArray> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
parents:
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changeset
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119 <binaryDataArray encodedLength="136"> |
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planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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120 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of detector counts" unitCvRef="MS"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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121 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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122 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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123 <binary>weaTRwOtJUhmbmtIh5J4SCCxVEjhYRNIjwmRR+TAMEdkshZIpwk/SSEqK0oxl+hKWLdCS2T2dEsDhjxLo73dSiRWF0r3fBRJ/KUYRzb5mkf1fQ5IkJ9ASD4EO0hfe+dHrvn+Rg==</binary> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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124 </binaryDataArray> |
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parents:
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125 </binaryDataArrayList> |
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126 </spectrum> |
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127 <spectrum id="scan=128" index="2" defaultArrayLength="18"> |
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planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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128 <cvParam cvRef="MS" accession="MS:1000128" name="profile spectrum" /> |
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6550698fe60f
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129 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" /> |
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130 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" /> |
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131 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="6.3630976e09"/> |
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132 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="108.907709764292704" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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133 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1111.100125670347097" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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134 <userParam name="filter string" type="xsd:string" value="FTMS + p ESI Full ms [110.0000-1100.0000]"/> |
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6550698fe60f
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135 <scanList count="1"> |
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workflow4metabolomics
parents:
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changeset
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136 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" /> |
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6550698fe60f
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workflow4metabolomics
parents:
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137 <scan > |
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workflow4metabolomics
parents:
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138 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="172.28342" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
workflow4metabolomics
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139 <userParam name="MS:1000130" type="xsd:string" value=""/> |
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140 <scanWindowList count="1"> |
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parents:
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141 <scanWindow> |
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142 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="110" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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6550698fe60f
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workflow4metabolomics
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143 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1100" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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144 </scanWindow> |
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145 </scanWindowList> |
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146 </scan> |
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147 </scanList> |
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148 <binaryDataArrayList count="2"> |
|
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149 <binaryDataArray encodedLength="192"> |
|
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150 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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6550698fe60f
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151 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" /> |
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152 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" /> |
|
6550698fe60f
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153 <binary>ccJIT7shY0AdGCZkvSFjQL/EA3m/IWNAV8jhjcEhY0DlIsCiwyFjQGvUnrfFIWNAt3Dwkg4iY0AbXdunECJjQHigxrwSImNAzjqy0RQiY0AeLJ7mFiJjQGd0ivsYImNAqhN3EBsiY0DmCWQlHSJjQBxXUTofImNATPs+TyEiY0B39ixkIyJjQJpIG3klImNA</binary> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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154 </binaryDataArray> |
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155 <binaryDataArray encodedLength="96"> |
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156 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of detector counts" unitCvRef="MS"/> |
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6550698fe60f
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157 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" /> |
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158 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" /> |
|
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159 <binary>MpSAR7CKlkfSH7ZH8ADIR47vl0elaPRGkTmOR/0nH0gVxxNJXw/6SSlRrkpz4hJLaZY8S4KkE0vEPa5KZiHvSTSj30hQKRBH</binary> |
|
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160 </binaryDataArray> |
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161 </binaryDataArrayList> |
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162 </spectrum> |
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163 <spectrum id="scan=129" index="3" defaultArrayLength="31"> |
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164 <cvParam cvRef="MS" accession="MS:1000128" name="profile spectrum" /> |
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165 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" /> |
|
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166 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" /> |
|
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167 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="5.5177718e09"/> |
|
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168 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="108.907641099520376" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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169 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1111.099388375058879" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/> |
|
6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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170 <userParam name="filter string" type="xsd:string" value="FTMS + p ESI Full ms [110.0000-1100.0000]"/> |
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6550698fe60f
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171 <scanList count="1"> |
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172 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" /> |
|
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173 <scan > |
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174 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="172.64467" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" /> |
|
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planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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175 <userParam name="MS:1000130" type="xsd:string" value=""/> |
|
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176 <scanWindowList count="1"> |
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177 <scanWindow> |
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178 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="110" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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6550698fe60f
planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit eca29d4347fe2f4802091c4a06715232a6fd9253
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179 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1100" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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6550698fe60f
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180 </scanWindow> |
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181 </scanWindowList> |
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182 </scan> |
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183 </scanList> |
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184 <binaryDataArrayList count="2"> |
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185 <binaryDataArray encodedLength="332"> |
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186 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" /> |
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187 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" /> |
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188 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" /> |
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189 <binary>v/C4pr4hY0B13Za7wCFjQCMhddDCIWNAx7tT5cQhY0BirTL6xiFjQPT1EQ/JIWNAwtKM1Q8iY0A9/3fqESJjQLGCY/8TImNAH11PFBYiY0CGjjspGCJjQOgWKD4aImNAQvYUUxwiY0CWLAJoHiJjQOW573wgImNALZ7dkSIiY0Bu2cumJCJjQKprursmImNA4VSp0CgiY0CGbJeIVCJjQE3PjZ1WImNAEImEslgiY0DPmXvHWiJjQIkBc9xcImNAQcBq8V4iY0D01WIGYSJjQKGC19E/I2NAY0z05kEjY0ApbRH8QyNjQPTkLhFGI2NAwrNMJkgjY0A=</binary> |
|
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190 </binaryDataArray> |
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191 <binaryDataArray encodedLength="168"> |
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192 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of detector counts" unitCvRef="MS"/> |
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193 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" /> |
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194 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" /> |
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195 <binary>fv0oRj9abEfoz8tHM/PIR0Q2f0eGNfFGwRgcSAr2V0icrD9JxtcqSvxEwErt4BlLlFcpSyPp6UqapnlK1o6YSfuKpEjqzglIZ2WBR8B3u0bDlYJHQfIASNx2I0hHr5NH7dsiRw69pUYm4wdHO6CKR0+FkEcPBkJHQvz1Rg==</binary> |
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196 </binaryDataArray> |
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197 </binaryDataArrayList> |
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198 </spectrum> |
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199 </spectrumList> |
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200 </run> |
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201 </mzML> |
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202 <indexList count="1"> |
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203 <index name="spectrum"> |
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204 <offset idRef="scan=126">3577</offset> |
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205 <offset idRef="scan=127">6508</offset> |
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206 <offset idRef="scan=128">9315</offset> |
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207 <offset idRef="scan=129">12005</offset> |
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208 </index> |
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209 </indexList> |
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210 <indexListOffset>14938</indexListOffset> |
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211 <fileChecksum>0</fileChecksum> |
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212 </indexedmzML> |