Mercurial > repos > galaxyp > msconvert
comparison test-data/small-index-filter.mzML @ 10:9d5de24e6ef7 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit d595e3cfe190a61d81005f9be7c2652aa5f91292
author | galaxyp |
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date | Sat, 23 Feb 2019 06:25:48 -0500 |
parents | dd4ba10d0c45 |
children | 6153e8ada1ee |
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9:dd4ba10d0c45 | 10:9d5de24e6ef7 |
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1 <?xml version="1.0" encoding="utf-8"?> | 1 <?xml version="1.0" encoding="utf-8"?> |
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/mzML1.1.2_idx.xsd"> | 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/mzML1.1.2_idx.xsd"> |
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" id="small" version="1.1.0"> | 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" id="small" version="1.1.0"> |
4 <cvList count="2"> | 4 <cvList count="2"> |
5 <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="3.79.0" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/> | 5 <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="4.1.12" URI="https://raw.githubusercontent.com/HUPO-PSI/psi-ms-CV/master/psi-ms.obo"/> |
6 <cv id="UO" fullName="Unit Ontology" version="12:10:2011" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo"/> | 6 <cv id="UO" fullName="Unit Ontology" version="09:04:2014" URI="https://raw.githubusercontent.com/bio-ontology-research-group/unit-ontology/master/unit.obo"/> |
7 </cvList> | 7 </cvList> |
8 <fileDescription> | 8 <fileDescription> |
9 <fileContent> | 9 <fileContent> |
10 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/> | 10 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/> |
11 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/> | 11 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/> |
12 </fileContent> | 12 </fileContent> |
13 <sourceFileList count="3"> | 13 <sourceFileList count="3"> |
14 <sourceFile id="RAW1" name="small.RAW" location="file:///C:\pwiz-src\trunk\pwiz\example_data"> | 14 <sourceFile id="RAW1" name="small.RAW" location="file:///"> |
15 <cvParam cvRef="MS" accession="MS:1000768" name="Thermo nativeID format" value=""/> | 15 <cvParam cvRef="MS" accession="MS:1000768" name="Thermo nativeID format" value=""/> |
16 <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW format" value=""/> | 16 <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW format" value=""/> |
17 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="b43e9286b40e8b5dbc0dfa2e428495769ca96a96"/> | 17 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="b43e9286b40e8b5dbc0dfa2e428495769ca96a96"/> |
18 </sourceFile> | 18 </sourceFile> |
19 <sourceFile id="small.mzML" name="small.mzML" location="file:///"> | 19 <sourceFile id="small.mzML" name="small.mzML" location="file:///"> |
20 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="4efa13a2795731b5f2a1ff1c463daf0d24b9a9d9"/> | 20 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="4efa13a2795731b5f2a1ff1c463daf0d24b9a9d9"/> |
21 </sourceFile> | 21 </sourceFile> |
22 <sourceFile id="small-peakpicking-cwt-allMS.mzML" name="small-peakpicking-cwt-allMS.mzML" location="file:///"> | 22 <sourceFile id="small-peakpicking-cwt-allMS.mzML" name="small-peakpicking-cwt-allMS.mzML" location="file:///"> |
23 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="8af1e376b6ed33679f7fcf965a5e7fd6b1bf77b7"/> | 23 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="d795eccea21733d1e5cc192bcf2e1c389ed59c20"/> |
24 </sourceFile> | 24 </sourceFile> |
25 </sourceFileList> | 25 </sourceFileList> |
26 </fileDescription> | 26 </fileDescription> |
27 <referenceableParamGroupList count="1"> | 27 <referenceableParamGroupList count="1"> |
28 <referenceableParamGroup id="CommonInstrumentParams"> | 28 <referenceableParamGroup id="CommonInstrumentParams"> |
29 <cvParam cvRef="MS" accession="MS:1000448" name="LTQ FT" value=""/> | 29 <cvParam cvRef="MS" accession="MS:1000448" name="LTQ FT" value=""/> |
30 <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN06061F"/> | 30 <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN06061F"/> |
31 </referenceableParamGroup> | 31 </referenceableParamGroup> |
32 </referenceableParamGroupList> | 32 </referenceableParamGroupList> |
33 <softwareList count="3"> | 33 <softwareList count="4"> |
34 <software id="Xcalibur" version="1.1 Beta 7"> | 34 <software id="Xcalibur" version="1.1 Beta 7"> |
35 <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" value=""/> | 35 <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" value=""/> |
36 </software> | 36 </software> |
37 <software id="pwiz" version="3.0.8981"> | 37 <software id="pwiz" version="3.0.8981"> |
38 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> | 38 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> |
39 </software> | 39 </software> |
40 <software id="pwiz_3.0.8990" version="3.0.8990"> | 40 <software id="pwiz_3.0.19038" version="3.0.19038"> |
41 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> | |
42 </software> | |
43 <software id="pwiz_3.0.19044" version="3.0.19044"> | |
41 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> | 44 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> |
42 </software> | 45 </software> |
43 </softwareList> | 46 </softwareList> |
44 <instrumentConfigurationList count="2"> | 47 <instrumentConfigurationList count="2"> |
45 <instrumentConfiguration id="IC1"> | 48 <instrumentConfiguration id="IC1"> |
80 <processingMethod order="0" softwareRef="pwiz"> | 83 <processingMethod order="0" softwareRef="pwiz"> |
81 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/> | 84 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/> |
82 </processingMethod> | 85 </processingMethod> |
83 </dataProcessing> | 86 </dataProcessing> |
84 <dataProcessing id="pwiz_Reader_conversion"> | 87 <dataProcessing id="pwiz_Reader_conversion"> |
85 <processingMethod order="0" softwareRef="pwiz_3.0.8990"> | 88 <processingMethod order="0" softwareRef="pwiz_3.0.19038"> |
86 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/> | 89 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/> |
87 </processingMethod> | 90 </processingMethod> |
88 <processingMethod order="1" softwareRef="pwiz_3.0.8990"> | 91 <processingMethod order="1" softwareRef="pwiz_3.0.19038"> |
89 <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/> | 92 <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/> |
90 </processingMethod> | 93 </processingMethod> |
91 </dataProcessing> | 94 </dataProcessing> |
92 </dataProcessingList> | 95 </dataProcessingList> |
93 <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1"> | 96 <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1"> |
494 </chromatogramList> | 497 </chromatogramList> |
495 </run> | 498 </run> |
496 </mzML> | 499 </mzML> |
497 <indexList count="2"> | 500 <indexList count="2"> |
498 <index name="spectrum"> | 501 <index name="spectrum"> |
499 <offset idRef="controllerType=0 controllerNumber=1 scan=3">5577</offset> | 502 <offset idRef="controllerType=0 controllerNumber=1 scan=3">5697</offset> |
500 <offset idRef="controllerType=0 controllerNumber=1 scan=4">14148</offset> | 503 <offset idRef="controllerType=0 controllerNumber=1 scan=4">14268</offset> |
501 <offset idRef="controllerType=0 controllerNumber=1 scan=5">26006</offset> | 504 <offset idRef="controllerType=0 controllerNumber=1 scan=5">26126</offset> |
502 <offset idRef="controllerType=0 controllerNumber=1 scan=11">36522</offset> | 505 <offset idRef="controllerType=0 controllerNumber=1 scan=11">36642</offset> |
503 <offset idRef="controllerType=0 controllerNumber=1 scan=14">47993</offset> | 506 <offset idRef="controllerType=0 controllerNumber=1 scan=14">48113</offset> |
504 <offset idRef="controllerType=0 controllerNumber=1 scan=15">57476</offset> | 507 <offset idRef="controllerType=0 controllerNumber=1 scan=15">57596</offset> |
505 <offset idRef="controllerType=0 controllerNumber=1 scan=16">65257</offset> | 508 <offset idRef="controllerType=0 controllerNumber=1 scan=16">65377</offset> |
506 </index> | 509 </index> |
507 <index name="chromatogram"> | 510 <index name="chromatogram"> |
508 <offset idRef="TIC">76395</offset> | 511 <offset idRef="TIC">76515</offset> |
509 </index> | 512 </index> |
510 </indexList> | 513 </indexList> |
511 <indexListOffset>78345</indexListOffset> | 514 <indexListOffset>78465</indexListOffset> |
512 <fileChecksum>0d5bbd9cad4ad9471eba2e80d0ddea2cddcf3db9</fileChecksum> | 515 <fileChecksum>0671bee5b37c6f8cc8afde991309fd96af7f5c3d</fileChecksum> |
513 </indexedmzML> | 516 </indexedmzML> |