Mercurial > repos > galaxyp > msconvert
comparison test-data/small-turbocharger.mzML @ 15:6153e8ada1ee draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit 7aa618964e95528ed59eea299701e65ccacae877"
author | galaxyp |
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date | Mon, 30 Nov 2020 16:01:10 +0000 |
parents | 9d5de24e6ef7 |
children |
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14:3cf310697624 | 15:6153e8ada1ee |
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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="4.1.12" URI="https://raw.githubusercontent.com/HUPO-PSI/psi-ms-CV/master/psi-ms.obo"/> | 5 <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="4.1.41" URI="https://raw.githubusercontent.com/HUPO-PSI/psi-ms-CV/master/psi-ms.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"/> | 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=""/> |
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="d795eccea21733d1e5cc192bcf2e1c389ed59c20"/> | 23 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="8e3d422853cbd71cc5f2af6422e0893caf6447dc"/> |
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="4"> | 33 <softwareList count="3"> |
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_3.0.19038" version="3.0.19038"> | 40 <software id="pwiz_3.0.20287" version="3.0.20287"> |
41 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> | |
42 </software> | |
43 <software id="pwiz_3.0.19044" version="3.0.19044"> | |
44 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> | 41 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> |
45 </software> | 42 </software> |
46 </softwareList> | 43 </softwareList> |
47 <instrumentConfigurationList count="2"> | 44 <instrumentConfigurationList count="2"> |
48 <instrumentConfiguration id="IC1"> | 45 <instrumentConfiguration id="IC1"> |
83 <processingMethod order="0" softwareRef="pwiz"> | 80 <processingMethod order="0" softwareRef="pwiz"> |
84 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/> | 81 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/> |
85 </processingMethod> | 82 </processingMethod> |
86 </dataProcessing> | 83 </dataProcessing> |
87 <dataProcessing id="pwiz_Reader_conversion"> | 84 <dataProcessing id="pwiz_Reader_conversion"> |
88 <processingMethod order="0" softwareRef="pwiz_3.0.19038"> | 85 <processingMethod order="0" softwareRef="pwiz_3.0.20287"> |
89 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/> | 86 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/> |
90 </processingMethod> | 87 </processingMethod> |
91 <processingMethod order="1" softwareRef="pwiz_3.0.19038"> | 88 <processingMethod order="1" softwareRef="pwiz_3.0.20287"> |
92 <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/> | 89 <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/> |
90 <userParam name="CantWaiT (continuous wavelet transform) peak picker"/> | |
93 </processingMethod> | 91 </processingMethod> |
94 </dataProcessing> | 92 </dataProcessing> |
95 </dataProcessingList> | 93 </dataProcessingList> |
96 <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1"> | 94 <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1"> |
97 <spectrumList count="48" defaultDataProcessingRef="pwiz_Reader_conversion"> | 95 <spectrumList count="48" defaultDataProcessingRef="pwiz_Reader_conversion"> |
2754 </chromatogramList> | 2752 </chromatogramList> |
2755 </run> | 2753 </run> |
2756 </mzML> | 2754 </mzML> |
2757 <indexList count="2"> | 2755 <indexList count="2"> |
2758 <index name="spectrum"> | 2756 <index name="spectrum"> |
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2807 </index> | 2805 </index> |
2808 <index name="chromatogram"> | 2806 <index name="chromatogram"> |
2809 <offset idRef="TIC">484276</offset> | 2807 <offset idRef="TIC">484192</offset> |
2810 </index> | 2808 </index> |
2811 </indexList> | 2809 </indexList> |
2812 <indexListOffset>486226</indexListOffset> | 2810 <indexListOffset>486142</indexListOffset> |
2813 <fileChecksum>d828d0af4d60fcecdcdd35f94c1dbd53dd6064c6</fileChecksum> | 2811 <fileChecksum>cd24511f35d08aae98099af6b561206194199d9a</fileChecksum> |
2814 </indexedmzML> | 2812 </indexedmzML> |