Mercurial > repos > galaxyp > msconvert

diff test-data/small-strip-it.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-strip-it.mzML	Mon Nov 16 17:25:12 2020 +0000
+++ b/test-data/small-strip-it.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>
@@ -2439,52 +2437,52 @@
   </mzML>
   <indexList count="2">
     <index name="spectrum">
-      <offset idRef="controllerType=0 controllerNumber=1 scan=1">5698</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=3">14908</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=4">23479</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=5">35337</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=6">45853</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=7">55222</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=8">65390</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=10">72479</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=11">81503</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=12">92974</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=13">102257</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=14">112529</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=15">122013</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=17">129795</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=18">139010</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=19">150300</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=20">159770</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=21">169306</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=22">180164</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=24">188079</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=25">197296</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=26">208780</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=27">218929</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=28">228499</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=29">239249</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=31">247562</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=32">259002</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=33">268373</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=34">278037</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=35">286905</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=37">294476</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=38">303649</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=39">315934</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=40">325306</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=41">336096</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=42">346056</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=44">359595</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=45">368980</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=46">380840</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=47">390619</offset>
-      <offset idRef="controllerType=0 controllerNumber=1 scan=48">400024</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=1">5614</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=3">14824</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=4">23395</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=5">35253</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=6">45769</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=7">55138</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=8">65306</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=10">72395</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=11">81419</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=12">92890</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=13">102173</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=14">112445</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=15">121929</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=17">129711</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=18">138926</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=19">150216</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=20">159686</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=21">169222</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=22">180080</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=24">187995</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=25">197212</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=26">208696</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=27">218845</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=28">228415</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=29">239165</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=31">247478</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=32">258918</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=33">268289</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=34">277953</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=35">286821</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=37">294392</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=38">303565</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=39">315850</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=40">325222</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=41">336012</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=42">345972</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=44">359511</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=45">368896</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=46">380756</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=47">390535</offset>
+      <offset idRef="controllerType=0 controllerNumber=1 scan=48">399940</offset>
     </index>
     <index name="chromatogram">
-      <offset idRef="TIC">409254</offset>
+      <offset idRef="TIC">409170</offset>
     </index>
   </indexList>
-  <indexListOffset>411204</indexListOffset>
-  <fileChecksum>79fa34e4e8aa4b3d63582a2dbb9280a9700207ef</fileChecksum>
+  <indexListOffset>411120</indexListOffset>
+  <fileChecksum>e01428f6ebeb6b29c2d2bf8548e2ee684824a0e0</fileChecksum>
 </indexedmzML>