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

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit 7aa618964e95528ed59eea299701e65ccacae877"

14:3cf310697624

<?xml version="1.0" encoding="utf-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="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>
        <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>

        </sourceFile>
        <sourceFile id="small.mzML" name="small.mzML" location="file:///">
          <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="d795eccea21733d1e5cc192bcf2e1c389ed59c20"/>
        </sourceFile>
      </sourceFileList>
    </fileDescription>
    <referenceableParamGroupList count="1">
      <referenceableParamGroup id="CommonInstrumentParams">
        <cvParam cvRef="MS" accession="MS:1000448" name="LTQ FT" value=""/>
        <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN06061F"/>
      </referenceableParamGroup>
    </referenceableParamGroupList>
    <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_3.0.19038" 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>
    <instrumentConfigurationList count="2">
      <instrumentConfiguration id="IC1">

        <processingMethod order="0" softwareRef="pwiz">
          <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
        </processingMethod>
      </dataProcessing>
      <dataProcessing id="pwiz_Reader_conversion">
        <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_3.0.19038">
          <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/>
        </processingMethod>
      </dataProcessing>
    </dataProcessingList>
    <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1">
      <spectrumList count="48" defaultDataProcessingRef="pwiz_Reader_conversion">

      </chromatogramList>
    </run>
  </mzML>
  <indexList count="2">
    <index name="spectrum">
      <offset idRef="controllerType=0 controllerNumber=1 scan=1">5698</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=2">18829</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=3">35737</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=4">47357</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=5">65925</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=6">82234</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=7">96056</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=8">111373</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=9">120839</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=10">139987</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=11">152500</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=12">170202</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=13">183831</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=14">199544</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=15">213625</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=16">224340</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=17">241530</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=18">254402</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=19">271773</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=20">285860</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=21">300009</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=22">317036</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=23">328052</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=24">340909</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=25">353783</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=26">371449</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=27">387119</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=28">401442</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=29">418137</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=30">429939</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=31">445710</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=32">463376</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=33">477236</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=34">491753</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=35">504731</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=36">515067</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=37">528349</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=38">541131</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=39">560478</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=40">574343</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=41">591170</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=42">606383</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=43">627804</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=44">645553</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=45">658851</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=46">677469</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=47">692121</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=48">706063</offset>
    </index>
    <index name="chromatogram">
      <offset idRef="TIC">719810</offset>
    </index>
  </indexList>
  <indexListOffset>721696</indexListOffset>
  <fileChecksum>f9631b4b94e058c0b0c087277ec56157b86ee371</fileChecksum>
</indexedmzML>

15:6153e8ada1ee

<?xml version="1.0" encoding="utf-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="4.1.41" 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>
        <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>

        </sourceFile>
        <sourceFile id="small.mzML" name="small.mzML" location="file:///">
          <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="8e3d422853cbd71cc5f2af6422e0893caf6447dc"/>
        </sourceFile>
      </sourceFileList>
    </fileDescription>
    <referenceableParamGroupList count="1">
      <referenceableParamGroup id="CommonInstrumentParams">
        <cvParam cvRef="MS" accession="MS:1000448" name="LTQ FT" value=""/>
        <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN06061F"/>
      </referenceableParamGroup>
    </referenceableParamGroupList>
    <softwareList count="3">
      <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_3.0.20287" version="3.0.20287">
        <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
      </software>
    </softwareList>
    <instrumentConfigurationList count="2">
      <instrumentConfiguration id="IC1">

        <processingMethod order="0" softwareRef="pwiz">
          <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
        </processingMethod>
      </dataProcessing>
      <dataProcessing id="pwiz_Reader_conversion">
        <processingMethod order="0" softwareRef="pwiz_3.0.20287">
          <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
        </processingMethod>
        <processingMethod order="1" softwareRef="pwiz_3.0.20287">
          <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/>
          <userParam name="CantWaiT (continuous wavelet transform) peak picker"/>
        </processingMethod>
      </dataProcessing>
    </dataProcessingList>
    <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1">
      <spectrumList count="48" defaultDataProcessingRef="pwiz_Reader_conversion">

      </chromatogramList>
    </run>
  </mzML>
  <indexList count="2">
    <index name="spectrum">
      <offset idRef="controllerType=0 controllerNumber=1 scan=1">5614</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=2">18745</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=3">35653</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=4">47273</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=5">65841</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=6">82150</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=7">95972</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=8">111289</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=9">120755</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=10">139903</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=11">152416</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=12">170118</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=13">183747</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=14">199460</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=15">213541</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=16">224256</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=17">241446</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=18">254318</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=19">271689</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=20">285776</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=21">299925</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=22">316952</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=23">327968</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=24">340825</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=25">353699</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=26">371365</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=27">387035</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=28">401358</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=29">418053</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=30">429855</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=31">445626</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=32">463292</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=33">477152</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=34">491669</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=35">504647</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=36">514983</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=37">528265</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=38">541047</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=39">560394</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=40">574259</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=41">591086</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=42">606299</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=43">627720</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=44">645469</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=45">658767</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=46">677385</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=47">692037</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=48">705979</offset>
    </index>
    <index name="chromatogram">
      <offset idRef="TIC">719726</offset>
    </index>
  </indexList>
  <indexListOffset>721612</indexListOffset>
  <fileChecksum>e0fd56c8c54f59e8f6b811b22b81422e56803d8c</fileChecksum>
</indexedmzML>