Mercurial > repos > galaxyp > msconvert

comparison test-data/small-denoise.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">
2717 </chromatogramList> 2715 </chromatogramList>
2718 </run> 2716 </run>
2719 </mzML> 2717 </mzML>
2720 <indexList count="2"> 2718 <indexList count="2">
2721 <index name="spectrum"> 2719 <index name="spectrum">
2722 <offset idRef="controllerType=0 controllerNumber=1 scan=1">5698</offset> 2720 <offset idRef="controllerType=0 controllerNumber=1 scan=1">5614</offset>
2723 <offset idRef="controllerType=0 controllerNumber=1 scan=2">14908</offset> 2721 <offset idRef="controllerType=0 controllerNumber=1 scan=2">14824</offset>
2724 <offset idRef="controllerType=0 controllerNumber=1 scan=3">25814</offset> 2722 <offset idRef="controllerType=0 controllerNumber=1 scan=3">25730</offset>
2725 <offset idRef="controllerType=0 controllerNumber=1 scan=4">32663</offset> 2723 <offset idRef="controllerType=0 controllerNumber=1 scan=4">32579</offset>
2726 <offset idRef="controllerType=0 controllerNumber=1 scan=5">39686</offset> 2724 <offset idRef="controllerType=0 controllerNumber=1 scan=5">39602</offset>
2727 <offset idRef="controllerType=0 controllerNumber=1 scan=6">46404</offset> 2725 <offset idRef="controllerType=0 controllerNumber=1 scan=6">46320</offset>
2728 <offset idRef="controllerType=0 controllerNumber=1 scan=7">52822</offset> 2726 <offset idRef="controllerType=0 controllerNumber=1 scan=7">52738</offset>
2729 <offset idRef="controllerType=0 controllerNumber=1 scan=8">59660</offset> 2727 <offset idRef="controllerType=0 controllerNumber=1 scan=8">59576</offset>
2730 <offset idRef="controllerType=0 controllerNumber=1 scan=9">66749</offset> 2728 <offset idRef="controllerType=0 controllerNumber=1 scan=9">66665</offset>
2731 <offset idRef="controllerType=0 controllerNumber=1 scan=10">78527</offset> 2729 <offset idRef="controllerType=0 controllerNumber=1 scan=10">78443</offset>
2732 <offset idRef="controllerType=0 controllerNumber=1 scan=11">85425</offset> 2730 <offset idRef="controllerType=0 controllerNumber=1 scan=11">85341</offset>
2733 <offset idRef="controllerType=0 controllerNumber=1 scan=12">92371</offset> 2731 <offset idRef="controllerType=0 controllerNumber=1 scan=12">92287</offset>
2734 <offset idRef="controllerType=0 controllerNumber=1 scan=13">98872</offset> 2732 <offset idRef="controllerType=0 controllerNumber=1 scan=13">98788</offset>
2735 <offset idRef="controllerType=0 controllerNumber=1 scan=14">105562</offset> 2733 <offset idRef="controllerType=0 controllerNumber=1 scan=14">105478</offset>
2736 <offset idRef="controllerType=0 controllerNumber=1 scan=15">111991</offset> 2734 <offset idRef="controllerType=0 controllerNumber=1 scan=15">111907</offset>
2737 <offset idRef="controllerType=0 controllerNumber=1 scan=16">119773</offset> 2735 <offset idRef="controllerType=0 controllerNumber=1 scan=16">119689</offset>
2738 <offset idRef="controllerType=0 controllerNumber=1 scan=17">130805</offset> 2736 <offset idRef="controllerType=0 controllerNumber=1 scan=17">130721</offset>
2739 <offset idRef="controllerType=0 controllerNumber=1 scan=18">137670</offset> 2737 <offset idRef="controllerType=0 controllerNumber=1 scan=18">137586</offset>
2740 <offset idRef="controllerType=0 controllerNumber=1 scan=19">144642</offset> 2738 <offset idRef="controllerType=0 controllerNumber=1 scan=19">144558</offset>
2741 <offset idRef="controllerType=0 controllerNumber=1 scan=20">151137</offset> 2739 <offset idRef="controllerType=0 controllerNumber=1 scan=20">151053</offset>
2742 <offset idRef="controllerType=0 controllerNumber=1 scan=21">157594</offset> 2740 <offset idRef="controllerType=0 controllerNumber=1 scan=21">157510</offset>
2743 <offset idRef="controllerType=0 controllerNumber=1 scan=22">164298</offset> 2741 <offset idRef="controllerType=0 controllerNumber=1 scan=22">164214</offset>
2744 <offset idRef="controllerType=0 controllerNumber=1 scan=23">172213</offset> 2742 <offset idRef="controllerType=0 controllerNumber=1 scan=23">172129</offset>
2745 <offset idRef="controllerType=0 controllerNumber=1 scan=24">180869</offset> 2743 <offset idRef="controllerType=0 controllerNumber=1 scan=24">180785</offset>
2746 <offset idRef="controllerType=0 controllerNumber=1 scan=25">187696</offset> 2744 <offset idRef="controllerType=0 controllerNumber=1 scan=25">187612</offset>
2747 <offset idRef="controllerType=0 controllerNumber=1 scan=26">194678</offset> 2745 <offset idRef="controllerType=0 controllerNumber=1 scan=26">194594</offset>
2748 <offset idRef="controllerType=0 controllerNumber=1 scan=27">201256</offset> 2746 <offset idRef="controllerType=0 controllerNumber=1 scan=27">201172</offset>
2749 <offset idRef="controllerType=0 controllerNumber=1 scan=28">207799</offset> 2747 <offset idRef="controllerType=0 controllerNumber=1 scan=28">207715</offset>
2750 <offset idRef="controllerType=0 controllerNumber=1 scan=29">214495</offset> 2748 <offset idRef="controllerType=0 controllerNumber=1 scan=29">214411</offset>
2751 <offset idRef="controllerType=0 controllerNumber=1 scan=30">222808</offset> 2749 <offset idRef="controllerType=0 controllerNumber=1 scan=30">222724</offset>
2752 <offset idRef="controllerType=0 controllerNumber=1 scan=31">233170</offset> 2750 <offset idRef="controllerType=0 controllerNumber=1 scan=31">233086</offset>
2753 <offset idRef="controllerType=0 controllerNumber=1 scan=32">240116</offset> 2751 <offset idRef="controllerType=0 controllerNumber=1 scan=32">240032</offset>
2754 <offset idRef="controllerType=0 controllerNumber=1 scan=33">246612</offset> 2752 <offset idRef="controllerType=0 controllerNumber=1 scan=33">246528</offset>
2755 <offset idRef="controllerType=0 controllerNumber=1 scan=34">253081</offset> 2753 <offset idRef="controllerType=0 controllerNumber=1 scan=34">252997</offset>
2756 <offset idRef="controllerType=0 controllerNumber=1 scan=35">259760</offset> 2754 <offset idRef="controllerType=0 controllerNumber=1 scan=35">259676</offset>
2757 <offset idRef="controllerType=0 controllerNumber=1 scan=36">267331</offset> 2755 <offset idRef="controllerType=0 controllerNumber=1 scan=36">267247</offset>
2758 <offset idRef="controllerType=0 controllerNumber=1 scan=37">276348</offset> 2756 <offset idRef="controllerType=0 controllerNumber=1 scan=37">276264</offset>
2759 <offset idRef="controllerType=0 controllerNumber=1 scan=38">283323</offset> 2757 <offset idRef="controllerType=0 controllerNumber=1 scan=38">283239</offset>
2760 <offset idRef="controllerType=0 controllerNumber=1 scan=39">290285</offset> 2758 <offset idRef="controllerType=0 controllerNumber=1 scan=39">290201</offset>
2761 <offset idRef="controllerType=0 controllerNumber=1 scan=40">296814</offset> 2759 <offset idRef="controllerType=0 controllerNumber=1 scan=40">296730</offset>
2762 <offset idRef="controllerType=0 controllerNumber=1 scan=41">303478</offset> 2760 <offset idRef="controllerType=0 controllerNumber=1 scan=41">303394</offset>
2763 <offset idRef="controllerType=0 controllerNumber=1 scan=42">310075</offset> 2761 <offset idRef="controllerType=0 controllerNumber=1 scan=42">309991</offset>
2764 <offset idRef="controllerType=0 controllerNumber=1 scan=43">323614</offset> 2762 <offset idRef="controllerType=0 controllerNumber=1 scan=43">323530</offset>
2765 <offset idRef="controllerType=0 controllerNumber=1 scan=44">334957</offset> 2763 <offset idRef="controllerType=0 controllerNumber=1 scan=44">334873</offset>
2766 <offset idRef="controllerType=0 controllerNumber=1 scan=45">341924</offset> 2764 <offset idRef="controllerType=0 controllerNumber=1 scan=45">341840</offset>
2767 <offset idRef="controllerType=0 controllerNumber=1 scan=46">348921</offset> 2765 <offset idRef="controllerType=0 controllerNumber=1 scan=46">348837</offset>
2768 <offset idRef="controllerType=0 controllerNumber=1 scan=47">355501</offset> 2766 <offset idRef="controllerType=0 controllerNumber=1 scan=47">355417</offset>
2769 <offset idRef="controllerType=0 controllerNumber=1 scan=48">361959</offset> 2767 <offset idRef="controllerType=0 controllerNumber=1 scan=48">361875</offset>
2770 </index> 2768 </index>
2771 <index name="chromatogram"> 2769 <index name="chromatogram">
2772 <offset idRef="TIC">368743</offset> 2770 <offset idRef="TIC">368659</offset>
2773 </index> 2771 </index>
2774 </indexList> 2772 </indexList>
2775 <indexListOffset>370693</indexListOffset> 2773 <indexListOffset>370609</indexListOffset>
2776 <fileChecksum>c8898ce9bf2f20b5934353cec6f9703268b79e6e</fileChecksum> 2774 <fileChecksum>3bb136dddbbf1dbe75414cfeb9b330cbc887d232</fileChecksum>
2777 </indexedmzML> 2775 </indexedmzML>