diff test-data/small-deisotope.mzML @ 0:45b98549157b draft default tip

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author jjohnson
date Wed, 25 Nov 2015 14:38:29 -0500
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/small-deisotope.mzML	Wed Nov 25 14:38:29 2015 -0500
@@ -0,0 +1,2774 @@
+<?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">
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+      <cv id="UO" fullName="Unit Ontology" version="12:10:2011" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo"/>
+    </cvList>
+    <fileDescription>
+      <fileContent>
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+        <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
+      </fileContent>
+      <sourceFileList count="3">
+        <sourceFile id="RAW1" name="small.RAW" location="file:///C:\pwiz-src\trunk\pwiz\example_data">
+          <cvParam cvRef="MS" accession="MS:1000768" name="Thermo nativeID format" value=""/>
+          <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW format" value=""/>
+          <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="b43e9286b40e8b5dbc0dfa2e428495769ca96a96"/>
+        </sourceFile>
+        <sourceFile id="small.mzML" name="small.mzML" location="file:///">
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+        <sourceFile id="small-peakpicking-cwt-allMS.mzML" name="small-peakpicking-cwt-allMS.mzML" location="file:///">
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+        <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">
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+      </software>
+      <software id="pwiz" version="3.0.8981">
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+      </software>
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+      </software>
+    </softwareList>
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+      <instrumentConfiguration id="IC1">
+        <referenceableParamGroupRef ref="CommonInstrumentParams"/>
+        <componentList count="3">
+          <source order="1">
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+            <cvParam cvRef="MS" accession="MS:1000057" name="electrospray inlet" value=""/>
+          </source>
+          <analyzer order="2">
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+          </analyzer>
+          <detector order="3">
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+          </detector>
+        </componentList>
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+        <componentList count="3">
+          <source order="1">
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+          <analyzer order="2">
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+          </analyzer>
+          <detector order="3">
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+          </detector>
+        </componentList>
+        <softwareRef ref="Xcalibur"/>
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+    </instrumentConfigurationList>
+    <dataProcessingList count="2">
+      <dataProcessing id="pwiz_Reader_Thermo_conversion">
+        <processingMethod order="0" softwareRef="pwiz">
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+        </processingMethod>
+      </dataProcessing>
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+          <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
+        </processingMethod>
+        <processingMethod order="1" softwareRef="pwiz_3.0.8990">
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+        </processingMethod>
+      </dataProcessing>
+    </dataProcessingList>
+    <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1">
+      <spectrumList count="48" defaultDataProcessingRef="pwiz_Reader_conversion">
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