Mercurial > repos > galaxyp > msconvert
diff test-data/small-strip-it.mzML @ 10:9d5de24e6ef7 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit d595e3cfe190a61d81005f9be7c2652aa5f91292
| author | galaxyp |
|---|---|
| date | Sat, 23 Feb 2019 06:25:48 -0500 |
| parents | dd4ba10d0c45 |
| children | 6153e8ada1ee |
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--- a/test-data/small-strip-it.mzML Wed Dec 07 16:43:07 2016 -0500 +++ b/test-data/small-strip-it.mzML Sat Feb 23 06:25:48 2019 -0500 @@ -2,8 +2,8 @@ <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"> <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"> <cvList count="2"> - <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"/> - <cv id="UO" fullName="Unit Ontology" version="12:10:2011" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo"/> + <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"/> + <cv id="UO" fullName="Unit Ontology" version="09:04:2014" URI="https://raw.githubusercontent.com/bio-ontology-research-group/unit-ontology/master/unit.obo"/> </cvList> <fileDescription> <fileContent> @@ -11,7 +11,7 @@ <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/> </fileContent> <sourceFileList count="3"> - <sourceFile id="RAW1" name="small.RAW" location="file:///C:\pwiz-src\trunk\pwiz\example_data"> + <sourceFile id="RAW1" name="small.RAW" location="file:///"> <cvParam cvRef="MS" accession="MS:1000768" name="Thermo nativeID format" value=""/> <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW format" value=""/> <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="b43e9286b40e8b5dbc0dfa2e428495769ca96a96"/> @@ -20,7 +20,7 @@ <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="4efa13a2795731b5f2a1ff1c463daf0d24b9a9d9"/> </sourceFile> <sourceFile id="small-peakpicking-cwt-allMS.mzML" name="small-peakpicking-cwt-allMS.mzML" location="file:///"> - <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="8af1e376b6ed33679f7fcf965a5e7fd6b1bf77b7"/> + <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="d795eccea21733d1e5cc192bcf2e1c389ed59c20"/> </sourceFile> </sourceFileList> </fileDescription> @@ -30,14 +30,17 @@ <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN06061F"/> </referenceableParamGroup> </referenceableParamGroupList> - <softwareList count="3"> + <softwareList count="4"> <software id="Xcalibur" version="1.1 Beta 7"> <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" value=""/> </software> <software id="pwiz" version="3.0.8981"> <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> </software> - <software id="pwiz_3.0.8990" version="3.0.8990"> + <software id="pwiz_3.0.19038" version="3.0.19038"> + <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> + </software> + <software id="pwiz_3.0.19044" version="3.0.19044"> <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/> </software> </softwareList> @@ -82,10 +85,10 @@ </processingMethod> </dataProcessing> <dataProcessing id="pwiz_Reader_conversion"> - <processingMethod order="0" softwareRef="pwiz_3.0.8990"> + <processingMethod order="0" softwareRef="pwiz_3.0.19038"> <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/> </processingMethod> - <processingMethod order="1" softwareRef="pwiz_3.0.8990"> + <processingMethod order="1" softwareRef="pwiz_3.0.19038"> <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/> </processingMethod> </dataProcessing> @@ -2072,7 +2075,7 @@ </binaryDataArray> </binaryDataArrayList> </spectrum> - <spectrum index="35" id="controllerType=0 controllerNumber=1 scan=42" defaultArrayLength="1343" dataProcessingRef="pwiz_Reader_conversion"> + <spectrum index="35" id="controllerType=0 controllerNumber=1 scan=42" defaultArrayLength="1344" dataProcessingRef="pwiz_Reader_conversion"> <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/> <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/> <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/> @@ -2098,17 +2101,17 @@ </scan> </scanList> <binaryDataArrayList count="2"> - <binaryDataArray encodedLength="6284"> + <binaryDataArray encodedLength="6288"> <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/> <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/> <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/> - 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