Mercurial > repos > galaxyp > msconvert

diff test-data/small-turbocharger.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
line wrap: on
line diff
--- a/test-data/small-turbocharger.mzML	Mon Nov 16 17:25:12 2020 +0000
+++ b/test-data/small-turbocharger.mzML	Mon Nov 30 16:01:10 2020 +0000
@@ -2,7 +2,7 @@
 <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="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>
@@ -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="d795eccea21733d1e5cc192bcf2e1c389ed59c20"/>
+          <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="8e3d422853cbd71cc5f2af6422e0893caf6447dc"/>
         </sourceFile>
       </sourceFileList>
     </fileDescription>
@@ -30,17 +30,14 @@
         <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN06061F"/>
       </referenceableParamGroup>
     </referenceableParamGroupList>
-    <softwareList count="4">
+    <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_3.0.19038" 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">
+      <software id="pwiz_3.0.20287" version="3.0.20287">
         <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
       </software>
     </softwareList>
@@ -85,11 +82,12 @@
         </processingMethod>
       </dataProcessing>
       <dataProcessing id="pwiz_Reader_conversion">
-        <processingMethod order="0" softwareRef="pwiz_3.0.19038">
+        <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_3.0.19038">
+        <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>
@@ -2756,59 +2754,59 @@
   </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">14908</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=3">25814</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=4">34431</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=5">46335</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=6">56897</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=7">66312</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=8">76888</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=9">83977</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=10">95755</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=11">104825</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=12">116343</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=13">125673</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=14">135991</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=15">145521</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=16">153303</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=17">164335</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=18">173596</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=19">184932</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=20">194449</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=21">204031</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=22">214935</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=23">222850</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=24">231506</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=25">240769</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=26">252299</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=27">262494</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=28">272110</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=29">282906</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=30">291219</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=31">301581</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=32">313067</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=33">322485</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=34">332195</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=35">341108</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=36">348679</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=37">357696</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=38">366914</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=39">379245</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=40">388663</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=41">399499</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=42">409506</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=43">423045</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=44">434388</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=45">443818</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=46">455724</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=47">465549</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=48">475001</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=1">5614</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=2">14824</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=3">25730</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=4">34347</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=5">46251</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=6">56813</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=7">66228</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=8">76804</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=9">83893</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=10">95671</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=11">104741</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=12">116259</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=13">125589</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=14">135907</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=15">145437</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=16">153219</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=17">164251</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=18">173512</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=19">184848</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=20">194365</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=21">203947</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=22">214851</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=23">222766</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=24">231422</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=25">240685</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=26">252215</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=27">262410</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=28">272026</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=29">282822</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=30">291135</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=31">301497</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=32">312983</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=33">322401</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=34">332111</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=35">341024</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=36">348595</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=37">357612</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=38">366830</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=39">379161</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=40">388579</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=41">399415</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=42">409422</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=43">422961</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=44">434304</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=45">443734</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=46">455640</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=47">465465</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=48">474917</offset>
     </index>
     <index name="chromatogram">
-      <offset idRef="TIC">484276</offset>
+      <offset idRef="TIC">484192</offset>
     </index>
   </indexList>
-  <indexListOffset>486226</indexListOffset>
-  <fileChecksum>d828d0af4d60fcecdcdd35f94c1dbd53dd6064c6</fileChecksum>
+  <indexListOffset>486142</indexListOffset>
+  <fileChecksum>cd24511f35d08aae98099af6b561206194199d9a</fileChecksum>
 </indexedmzML>