Mercurial > repos > galaxyp > msconvert

comparison test-data/small-chargeStatePredictor.mzML @ 15:6153e8ada1ee draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit 7aa618964e95528ed59eea299701e65ccacae877"
author galaxyp
date Mon, 30 Nov 2020 16:01:10 +0000
parents 9d5de24e6ef7
children
comparison
equal deleted inserted replaced
14:3cf310697624 15:6153e8ada1ee
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">
2847 </chromatogramList> 2845 </chromatogramList>
2848 </run> 2846 </run>
2849 </mzML> 2847 </mzML>
2850 <indexList count="2"> 2848 <indexList count="2">
2851 <index name="spectrum"> 2849 <index name="spectrum">
2852 <offset idRef="controllerType=0 controllerNumber=1 scan=1">5698</offset> 2850 <offset idRef="controllerType=0 controllerNumber=1 scan=1">5614</offset>
2853 <offset idRef="controllerType=0 controllerNumber=1 scan=2">14908</offset> 2851 <offset idRef="controllerType=0 controllerNumber=1 scan=2">14824</offset>
2854 <offset idRef="controllerType=0 controllerNumber=1 scan=3">25814</offset> 2852 <offset idRef="controllerType=0 controllerNumber=1 scan=3">25730</offset>
2855 <offset idRef="controllerType=0 controllerNumber=1 scan=4">34793</offset> 2853 <offset idRef="controllerType=0 controllerNumber=1 scan=4">34709</offset>
2856 <offset idRef="controllerType=0 controllerNumber=1 scan=5">47059</offset> 2854 <offset idRef="controllerType=0 controllerNumber=1 scan=5">46975</offset>
2857 <offset idRef="controllerType=0 controllerNumber=1 scan=6">57983</offset> 2855 <offset idRef="controllerType=0 controllerNumber=1 scan=6">57899</offset>
2858 <offset idRef="controllerType=0 controllerNumber=1 scan=7">67760</offset> 2856 <offset idRef="controllerType=0 controllerNumber=1 scan=7">67676</offset>
2859 <offset idRef="controllerType=0 controllerNumber=1 scan=8">78336</offset> 2857 <offset idRef="controllerType=0 controllerNumber=1 scan=8">78252</offset>
2860 <offset idRef="controllerType=0 controllerNumber=1 scan=9">85425</offset> 2858 <offset idRef="controllerType=0 controllerNumber=1 scan=9">85341</offset>
2861 <offset idRef="controllerType=0 controllerNumber=1 scan=10">97203</offset> 2859 <offset idRef="controllerType=0 controllerNumber=1 scan=10">97119</offset>
2862 <offset idRef="controllerType=0 controllerNumber=1 scan=11">106635</offset> 2860 <offset idRef="controllerType=0 controllerNumber=1 scan=11">106551</offset>
2863 <offset idRef="controllerType=0 controllerNumber=1 scan=12">118515</offset> 2861 <offset idRef="controllerType=0 controllerNumber=1 scan=12">118431</offset>
2864 <offset idRef="controllerType=0 controllerNumber=1 scan=13">128207</offset> 2862 <offset idRef="controllerType=0 controllerNumber=1 scan=13">128123</offset>
2865 <offset idRef="controllerType=0 controllerNumber=1 scan=14">138887</offset> 2863 <offset idRef="controllerType=0 controllerNumber=1 scan=14">138803</offset>
2866 <offset idRef="controllerType=0 controllerNumber=1 scan=15">148779</offset> 2864 <offset idRef="controllerType=0 controllerNumber=1 scan=15">148695</offset>
2867 <offset idRef="controllerType=0 controllerNumber=1 scan=16">156561</offset> 2865 <offset idRef="controllerType=0 controllerNumber=1 scan=16">156477</offset>
2868 <offset idRef="controllerType=0 controllerNumber=1 scan=17">167593</offset> 2866 <offset idRef="controllerType=0 controllerNumber=1 scan=17">167509</offset>
2869 <offset idRef="controllerType=0 controllerNumber=1 scan=18">177216</offset> 2867 <offset idRef="controllerType=0 controllerNumber=1 scan=18">177132</offset>
2870 <offset idRef="controllerType=0 controllerNumber=1 scan=19">188914</offset> 2868 <offset idRef="controllerType=0 controllerNumber=1 scan=19">188830</offset>
2871 <offset idRef="controllerType=0 controllerNumber=1 scan=20">198792</offset> 2869 <offset idRef="controllerType=0 controllerNumber=1 scan=20">198708</offset>
2872 <offset idRef="controllerType=0 controllerNumber=1 scan=21">208736</offset> 2870 <offset idRef="controllerType=0 controllerNumber=1 scan=21">208652</offset>
2873 <offset idRef="controllerType=0 controllerNumber=1 scan=22">220002</offset> 2871 <offset idRef="controllerType=0 controllerNumber=1 scan=22">219918</offset>
2874 <offset idRef="controllerType=0 controllerNumber=1 scan=23">227917</offset> 2872 <offset idRef="controllerType=0 controllerNumber=1 scan=23">227833</offset>
2875 <offset idRef="controllerType=0 controllerNumber=1 scan=24">236573</offset> 2873 <offset idRef="controllerType=0 controllerNumber=1 scan=24">236489</offset>
2876 <offset idRef="controllerType=0 controllerNumber=1 scan=25">246198</offset> 2874 <offset idRef="controllerType=0 controllerNumber=1 scan=25">246114</offset>
2877 <offset idRef="controllerType=0 controllerNumber=1 scan=26">258090</offset> 2875 <offset idRef="controllerType=0 controllerNumber=1 scan=26">258006</offset>
2878 <offset idRef="controllerType=0 controllerNumber=1 scan=27">268647</offset> 2876 <offset idRef="controllerType=0 controllerNumber=1 scan=27">268563</offset>
2879 <offset idRef="controllerType=0 controllerNumber=1 scan=28">278625</offset> 2877 <offset idRef="controllerType=0 controllerNumber=1 scan=28">278541</offset>
2880 <offset idRef="controllerType=0 controllerNumber=1 scan=29">289783</offset> 2878 <offset idRef="controllerType=0 controllerNumber=1 scan=29">289699</offset>
2881 <offset idRef="controllerType=0 controllerNumber=1 scan=30">298096</offset> 2879 <offset idRef="controllerType=0 controllerNumber=1 scan=30">298012</offset>
2882 <offset idRef="controllerType=0 controllerNumber=1 scan=31">308458</offset> 2880 <offset idRef="controllerType=0 controllerNumber=1 scan=31">308374</offset>
2883 <offset idRef="controllerType=0 controllerNumber=1 scan=32">320306</offset> 2881 <offset idRef="controllerType=0 controllerNumber=1 scan=32">320222</offset>
2884 <offset idRef="controllerType=0 controllerNumber=1 scan=33">330085</offset> 2882 <offset idRef="controllerType=0 controllerNumber=1 scan=33">330001</offset>
2885 <offset idRef="controllerType=0 controllerNumber=1 scan=34">340157</offset> 2883 <offset idRef="controllerType=0 controllerNumber=1 scan=34">340073</offset>
2886 <offset idRef="controllerType=0 controllerNumber=1 scan=35">349118</offset> 2884 <offset idRef="controllerType=0 controllerNumber=1 scan=35">349034</offset>
2887 <offset idRef="controllerType=0 controllerNumber=1 scan=36">356689</offset> 2885 <offset idRef="controllerType=0 controllerNumber=1 scan=36">356605</offset>
2888 <offset idRef="controllerType=0 controllerNumber=1 scan=37">365706</offset> 2886 <offset idRef="controllerType=0 controllerNumber=1 scan=37">365622</offset>
2889 <offset idRef="controllerType=0 controllerNumber=1 scan=38">375287</offset> 2887 <offset idRef="controllerType=0 controllerNumber=1 scan=38">375203</offset>
2890 <offset idRef="controllerType=0 controllerNumber=1 scan=39">387980</offset> 2888 <offset idRef="controllerType=0 controllerNumber=1 scan=39">387896</offset>
2891 <offset idRef="controllerType=0 controllerNumber=1 scan=40">397760</offset> 2889 <offset idRef="controllerType=0 controllerNumber=1 scan=40">397676</offset>
2892 <offset idRef="controllerType=0 controllerNumber=1 scan=41">408958</offset> 2890 <offset idRef="controllerType=0 controllerNumber=1 scan=41">408874</offset>
2893 <offset idRef="controllerType=0 controllerNumber=1 scan=42">419326</offset> 2891 <offset idRef="controllerType=0 controllerNumber=1 scan=42">419242</offset>
2894 <offset idRef="controllerType=0 controllerNumber=1 scan=43">432865</offset> 2892 <offset idRef="controllerType=0 controllerNumber=1 scan=43">432781</offset>
2895 <offset idRef="controllerType=0 controllerNumber=1 scan=44">444208</offset> 2893 <offset idRef="controllerType=0 controllerNumber=1 scan=44">444124</offset>
2896 <offset idRef="controllerType=0 controllerNumber=1 scan=45">454001</offset> 2894 <offset idRef="controllerType=0 controllerNumber=1 scan=45">453917</offset>
2897 <offset idRef="controllerType=0 controllerNumber=1 scan=46">466269</offset> 2895 <offset idRef="controllerType=0 controllerNumber=1 scan=46">466185</offset>
2898 <offset idRef="controllerType=0 controllerNumber=1 scan=47">476456</offset> 2896 <offset idRef="controllerType=0 controllerNumber=1 scan=47">476372</offset>
2899 <offset idRef="controllerType=0 controllerNumber=1 scan=48">486269</offset> 2897 <offset idRef="controllerType=0 controllerNumber=1 scan=48">486185</offset>
2900 </index> 2898 </index>
2901 <index name="chromatogram"> 2899 <index name="chromatogram">
2902 <offset idRef="TIC">495592</offset> 2900 <offset idRef="TIC">495508</offset>
2903 </index> 2901 </index>
2904 </indexList> 2902 </indexList>
2905 <indexListOffset>497542</indexListOffset> 2903 <indexListOffset>497458</indexListOffset>
2906 <fileChecksum>4a570796813708eca1754ccf46e25355eae4a2b4</fileChecksum> 2904 <fileChecksum>820300fdfbf32732fca84c471e7509c5cfee54de</fileChecksum>
2907 </indexedmzML> 2905 </indexedmzML>