diff test-data/BrukerBafTest.mzML @ 11:052798dd73dd draft default tip

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit 7aa618964e95528ed59eea299701e65ccacae877"
author galaxyp
date Mon, 30 Nov 2020 16:00:27 +0000
parents e638f7fad66a
children
line wrap: on
line diff
--- a/test-data/BrukerBafTest.mzML	Mon Nov 16 17:24:27 2020 +0000
+++ b/test-data/BrukerBafTest.mzML	Mon Nov 30 16:00:27 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="BrukerBafTest" 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>
@@ -30,13 +30,14 @@
       <software id="apexControl" version="ApexControl 3.0.0.alpha.35 (development version, April 18, 2008)">
         <cvParam cvRef="MS" accession="MS:1000706" name="apexControl" value=""/>
       </software>
-      <software id="pwiz_Reader_Bruker" version="3.0.19044">
+      <software id="pwiz_Reader_Bruker" version="3.0.20287">
         <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
       </software>
     </softwareList>
     <instrumentConfigurationList count="1">
       <instrumentConfiguration id="IC1">
         <referenceableParamGroupRef ref="CommonInstrumentParams"/>
+        <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="-1.3"/>
         <componentList count="3">
           <source order="1">
             <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" value=""/>
@@ -99,15 +100,65 @@
           </binaryDataArrayList>
         </spectrum>
       </spectrumList>
+      <chromatogramList count="2" defaultDataProcessingRef="pwiz_Reader_Bruker_conversion">
+        <chromatogram index="0" id="TIC" defaultArrayLength="1">
+          <cvParam cvRef="MS" accession="MS:1000235" name="total ion current chromatogram" value=""/>
+          <binaryDataArrayList count="3">
+            <binaryDataArray encodedLength="16">
+              <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000574" name="zlib compression" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000595" name="time array" value="" unitCvRef="UO" unitAccession="UO:0000010" unitName="second"/>
+              <binary>eJxjYIAAAAAIAAE=</binary>
+            </binaryDataArray>
+            <binaryDataArray encodedLength="16">
+              <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000574" name="zlib compression" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
+              <binary>eJzT/rfSHwAFSwIi</binary>
+            </binaryDataArray>
+            <binaryDataArray arrayLength="1" encodedLength="16">
+              <cvParam cvRef="MS" accession="MS:1000522" name="64-bit integer" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000574" name="zlib compression" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000786" name="non-standard data array" value="ms level" unitCvRef="UO" unitAccession="UO:0000186" unitName="dimensionless unit"/>
+              <binary>eJxjZIAAAAAQAAI=</binary>
+            </binaryDataArray>
+          </binaryDataArrayList>
+        </chromatogram>
+        <chromatogram index="1" id="BPC" defaultArrayLength="1">
+          <cvParam cvRef="MS" accession="MS:1000628" name="basepeak chromatogram" value=""/>
+          <binaryDataArrayList count="3">
+            <binaryDataArray encodedLength="16">
+              <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000574" name="zlib compression" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000595" name="time array" value="" unitCvRef="UO" unitAccession="UO:0000010" unitName="second"/>
+              <binary>eJxjYIAAAAAIAAE=</binary>
+            </binaryDataArray>
+            <binaryDataArray encodedLength="16">
+              <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000574" name="zlib compression" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
+              <binary>eJwTCLLyAwAB/ADr</binary>
+            </binaryDataArray>
+            <binaryDataArray arrayLength="1" encodedLength="16">
+              <cvParam cvRef="MS" accession="MS:1000522" name="64-bit integer" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000574" name="zlib compression" value=""/>
+              <cvParam cvRef="MS" accession="MS:1000786" name="non-standard data array" value="ms level" unitCvRef="UO" unitAccession="UO:0000186" unitName="dimensionless unit"/>
+              <binary>eJxjZIAAAAAQAAI=</binary>
+            </binaryDataArray>
+          </binaryDataArrayList>
+        </chromatogram>
+      </chromatogramList>
     </run>
   </mzML>
   <indexList count="2">
     <index name="spectrum">
-      <offset idRef="scan=1">4166</offset>
+      <offset idRef="scan=1">4264</offset>
     </index>
     <index name="chromatogram">
+      <offset idRef="TIC">7765</offset>
+      <offset idRef="BPC">9468</offset>
     </index>
   </indexList>
-  <indexListOffset>7590</indexListOffset>
-  <fileChecksum>e6b4d51fdbe306f0823fe1cb583e7ec52629303f</fileChecksum>
+  <indexListOffset>11203</indexListOffset>
+  <fileChecksum>913c285a998996d2707f6f242bf7a0c00bd6468b</fileChecksum>
 </indexedmzML>