comparison test-data/small-numpressLS.mzML @ 11:052798dd73dd draft default tip

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

10:06747cba5685

<?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">14604</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=3">25490</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=4">34317</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=5">46759</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=6">58031</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=7">67996</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=8">78748</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=9">85605</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=10">97607</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=11">106907</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=12">118899</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=13">128763</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=14">139743</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=15">149835</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=16">157377</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=17">168417</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=18">177896</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=19">189726</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=20">199824</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=21">209972</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=22">221594</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=23">229285</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=24">238077</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=25">247558</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=26">259558</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=27">270503</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=28">280733</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=29">292215</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=30">300312</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=31">310642</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=32">322626</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=33">332605</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=34">342953</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=35">352450</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=36">359789</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=37">368786</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=38">378235</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=39">391096</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=40">401084</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=41">412614</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=42">423314</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=43">436713</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=44">448048</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=45">457753</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=46">470221</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=47">480652</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=48">490689</offset>
    </index>
    <index name="chromatogram">
      <offset idRef="TIC">500615</offset>
    </index>
  </indexList>
  <indexListOffset>502501</indexListOffset>
  <fileChecksum>15cf2d9d66b79c6df15272b0df35fe95f09dc949</fileChecksum>
</indexedmzML>

11:052798dd73dd

<?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">14520</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=3">25406</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=4">34233</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=5">46675</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=6">57947</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=7">67912</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=8">78664</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=9">85521</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=10">97523</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=11">106823</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=12">118815</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=13">128679</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=14">139659</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=15">149751</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=16">157293</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=17">168333</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=18">177812</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=19">189642</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=20">199740</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=21">209888</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=22">221510</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=23">229201</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=24">237993</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=25">247474</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=26">259474</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=27">270419</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=28">280649</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=29">292131</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=30">300228</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=31">310558</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=32">322542</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=33">332521</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=34">342869</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=35">352366</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=36">359705</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=37">368702</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=38">378151</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=39">391012</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=40">401000</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=41">412530</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=42">423230</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=43">436629</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=44">447964</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=45">457669</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=46">470137</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=47">480568</offset>
      <offset idRef="controllerType=0 controllerNumber=1 scan=48">490605</offset>
    </index>
    <index name="chromatogram">
      <offset idRef="TIC">500531</offset>
    </index>
  </indexList>
  <indexListOffset>502417</indexListOffset>
  <fileChecksum>d2b87f8909ac1ac2841f31da0f78c308b3df311f</fileChecksum>
</indexedmzML>