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tiny.msdata.mzML0.99.10.mzML
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<?xml version="1.0" encoding="ISO-8859-1"?>
<indexedmzML xmlns="http://psi.hupo.org/schema_revision/mzML_0.99.10" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/schema_revision/mzML_0.99.10_idx mzML0.99.10_idx.xsd">
<mzML xmlns="http://psi.hupo.org/schema_revision/mzML_0.99.10" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/schema_revision/mzML_0.99.10 mzML0.99.10.xsd" accession="test accession" id="test_id" version="test version">
<cvList count="1">
<cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="2.0.2" URI="http://psidev.sourceforge.net/ms/xml/mzdata/psi-ms.2.0.2.obo"/>
</cvList>
<fileDescription>
<fileContent>
<cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
<userParam name="number of cats" value="4" type=""/>
</fileContent>
<sourceFileList count="1">
<sourceFile id="sf1" name="tiny1.RAW" location="file://F:/data/Exp01">
<cvParam cvRef="MS" accession="MS:1000563" name="Xcalibur RAW file" value=""/>
<cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="71be39fb2700ab2f3c8b2234b91274968b6899b1"/>
</sourceFile>
<sourceFile id="sf2" name="parameters.par" location="file:///C:/settings/" />
</sourceFileList>
<contact>
<cvParam cvRef="MS" accession="MS:1000586" name="contact name" value="William Pennington"/>
<cvParam cvRef="MS" accession="MS:1000587" name="contact address" value="Higglesworth University, 12 Higglesworth Avenue, 12045, HI, USA"/>
<cvParam cvRef="MS" accession="MS:1000588" name="contact URL" value="http://www.higglesworth.edu/"/>
<cvParam cvRef="MS" accession="MS:1000589" name="contact email" value="wpennington@higglesworth.edu"/>
</contact>
</fileDescription>
<referenceableParamGroupList count="2">
<referenceableParamGroup id="CommonMS1SpectrumParams">
<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
<cvParam cvRef="MS" accession="MS:1000498" name="full scan" value=""/>
</referenceableParamGroup>
<referenceableParamGroup id="CommonMS2SpectrumParams">
<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
<cvParam cvRef="MS" accession="MS:1000498" name="full scan" value=""/>
</referenceableParamGroup>
</referenceableParamGroupList>
<sampleList count="1">
<sample id="sp1" name="Sample1">
</sample>
</sampleList>
<instrumentConfigurationList count="1">
<instrumentConfiguration id="LCQDeca">
<cvParam cvRef="MS" accession="MS:1000554" name="LCQ Deca" value=""/>
<cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="23433"/>
<componentList count="3">
<source order="1">
<cvParam cvRef="MS" accession="MS:1000398" name="nanoelectrospray" value=""/>
</source>
<analyzer order="2">
<cvParam cvRef="MS" accession="MS:1000082" name="quadrupole ion trap" value=""/>
</analyzer>
<detector order="3">
<cvParam cvRef="MS" accession="MS:1000253" name="electron multiplier" value=""/>
</detector>
</componentList>
<softwareRef ref="Xcalibur"/>
</instrumentConfiguration>
</instrumentConfigurationList>
<softwareList count="3">
<software id="Bioworks">
<softwareParam cvRef="MS" accession="MS:1000533" name="Bioworks" version="3.3.1 sp1"/>
</software>
<software id="ReAdW">
<softwareParam cvRef="MS" accession="MS:1000541" name="ReAdW" version="1.0"/>
</software>
<software id="Xcalibur">
<softwareParam cvRef="MS" accession="MS:1000532" name="Xcalibur" version="2.0.5"/>
</software>
</softwareList>
<dataProcessingList count="2">
<dataProcessing id="XcaliburProcessing" softwareRef="Xcalibur">
<processingMethod order="1">
<cvParam cvRef="MS" accession="MS:1000033" name="deisotoping" value="false"/>
<cvParam cvRef="MS" accession="MS:1000034" name="charge deconvolution" value="false"/>
<cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value="true"/>
</processingMethod>
</dataProcessing>
<dataProcessing id="ReAdWConversion" softwareRef="ReAdW">
<processingMethod order="2">
<cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
</processingMethod>
</dataProcessing>
</dataProcessingList>
<acquisitionSettingsList count="1">
<acquisitionSettings id="aS1" instrumentConfigurationRef="LCQDeca">
<sourceFileRefList count="1">
<sourceFileRef ref="sf2" />
</sourceFileRefList>
<targetList count="2">
<target>
<cvParam cvRef="MS" accession="MS:1000xxx" name="precursorMz" value="123.456" />
<cvParam cvRef="MS" accession="MS:1000xxx" name="fragmentMz" value="456.789" />
<cvParam cvRef="MS" accession="MS:1000xxx" name="dwell time" value="1" unitName="seconds" unitAccession="UO:0000010" />
<cvParam cvRef="MS" accession="MS:1000xxx" name="active time" value="0.5" unitName="seconds" unitAccession="UO:0000010" />
</target>
<target>
<cvParam cvRef="MS" accession="MS:1000xxx" name="precursorMz" value="231.673" />
<cvParam cvRef="MS" accession="MS:1000xxx" name="fragmentMz" value="566.328" />
<cvParam cvRef="MS" accession="MS:1000xxx" name="dwell time" value="1" unitName="seconds" unitAccession="UO:0000010" />
<cvParam cvRef="MS" accession="MS:1000xxx" name="active time" value="0.5" unitName="seconds" unitAccession="UO:0000010" />
</target>
</targetList>
</acquisitionSettings>
</acquisitionSettingsList>
<run id="Exp01" instrumentConfigurationRef="LCQDeca" sampleRef="sp1" startTimeStamp="2007-06-27T15:23:45.00035">
<sourceFileRefList count="1">
<sourceFileRef ref="sf1"/>
</sourceFileRefList>
<spectrumList count="2">
<spectrum index="0" id="S19" nativeID="19" defaultArrayLength="10">
<cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
<spectrumDescription>
<cvParam cvRef="MS" accession="MS:1000127" name="centroid mass spectrum" value=""/>
<cvParam cvRef="MS" accession="MS:1000528" name="lowest m/z value" value="400.39"/>
<cvParam cvRef="MS" accession="MS:1000527" name="highest m/z value" value="1795.56"/>
<cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="445.347"/>
<cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="120053"/>
<cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="16675500"/>
<scan instrumentConfigurationRef="LCQDeca">
<referenceableParamGroupRef ref="CommonMS1SpectrumParams"/>
<cvParam cvRef="MS" accession="MS:1000016" name="scan time" value="5.8905" unitAccession="MS:1000038" unitName="minute"/>
<cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="+ c NSI Full ms [ 400.00-1800.00]"/>
<scanWindowList count="1">
<scanWindow>
<cvParam cvRef="MS" accession="MS:1000501" name="scan m/z lower limit" value="400"/>
<cvParam cvRef="MS" accession="MS:1000500" name="scan m/z upper limit" value="1800"/>
</scanWindow>
</scanWindowList>
</scan>
</spectrumDescription>
<binaryDataArrayList count="2">
<binaryDataArray arrayLength="10" encodedLength="108" dataProcessingRef="XcaliburProcessing">
<cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
<cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value=""/>
<binary>AAAAAAAAAAAAAAAAAADwPwAAAAAAAABAAAAAAAAACEAAAAAAAAAQQAAAAAAAABRAAAAAAAAAGEAAAAAAAAAcQAAAAAAAACBAAAAAAAAAIkA=</binary>
</binaryDataArray>
<binaryDataArray arrayLength="10" encodedLength="108" dataProcessingRef="XcaliburProcessing">
<cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
<cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
<cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
<binary>AAAAAAAAJEAAAAAAAAAiQAAAAAAAACBAAAAAAAAAHEAAAAAAAAAYQAAAAAAAABRAAAAAAAAAEEAAAAAAAAAIQAAAAAAAAABAAAAAAAAA8D8=</binary>
</binaryDataArray>
</binaryDataArrayList>
</spectrum>
<spectrum index="1" id="S20" nativeID="20" defaultArrayLength="20">
<cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
<spectrumDescription>
<cvParam cvRef="MS" accession="MS:1000127" name="centroid mass spectrum" value=""/>
<cvParam cvRef="MS" accession="MS:1000528" name="lowest m/z value" value="320.39"/>
<cvParam cvRef="MS" accession="MS:1000527" name="highest m/z value" value="1003.56"/>
<cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="456.347"/>
<cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="23433"/>
<cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="16675500"/>
<precursorList count="1">
<precursor spectrumRef="S19">
<isolationWindow>
<cvParam cvRef="MS" accession="MS:1000xxx" name="isolation center m/z" value="445.34"/>
<cvParam cvRef="MS" accession="MS:1000xxx" name="isolation half width" value="2.0"/>
</isolationWindow>
<selectedIonList count="1">
<selectedIon>
<cvParam cvRef="MS" accession="MS:1000040" name="m/z" value="445.34"/>
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2"/>
</selectedIon>
</selectedIonList>
<activation>
<cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
<cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35" unitAccession="MS:1000137" unitName="electron volt"/>
</activation>
</precursor>
</precursorList>
<scan instrumentConfigurationRef="LCQDeca">
<referenceableParamGroupRef ref="CommonMS2SpectrumParams"/>
<cvParam cvRef="MS" accession="MS:1000016" name="scan time" value="5.9905" unitAccession="MS:1000038" unitName="minute"/>
<cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="+ c d Full ms2 445.35@cid35.00 [ 110.00-905.00]"/>
<scanWindowList count="1">
<scanWindow>
<cvParam cvRef="MS" accession="MS:1000501" name="scan m/z lower limit" value="110"/>
<cvParam cvRef="MS" accession="MS:1000500" name="scan m/z upper limit" value="905"/>
</scanWindow>
</scanWindowList>
</scan>
</spectrumDescription>
<binaryDataArrayList count="2">
<binaryDataArray arrayLength="20" encodedLength="216" dataProcessingRef="XcaliburProcessing">
<cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
<cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
<cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value=""/>
<binary>AAAAAAAAAAAAAAAAAADwPwAAAAAAAABAAAAAAAAACEAAAAAAAAAQQAAAAAAAABRAAAAAAAAAGEAAAAAAAAAcQAAAAAAAACBAAAAAAAAAIkAAAAAAAAAkQAAAAAAAACZAAAAAAAAAKEAAAAAAAAAqQAAAAAAAACxAAAAAAAAALkAAAAAAAAAwQAAAAAAAADFAAAAAAAAAMkAAAAAAAAAzQA==</binary>
</binaryDataArray>
<binaryDataArray arrayLength="20" encodedLength="216" dataProcessingRef="XcaliburProcessing">
<cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
<cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
<cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
<binary>AAAAAAAANEAAAAAAAAAzQAAAAAAAADJAAAAAAAAAMUAAAAAAAAAwQAAAAAAAAC5AAAAAAAAALEAAAAAAAAAqQAAAAAAAAChAAAAAAAAAJkAAAAAAAAAkQAAAAAAAACJAAAAAAAAAIEAAAAAAAAAcQAAAAAAAABhAAAAAAAAAFEAAAAAAAAAQQAAAAAAAAAhAAAAAAAAAAEAAAAAAAADwPw==</binary>
</binaryDataArray>
</binaryDataArrayList>
</spectrum>
</spectrumList>
</run>
</mzML>
<indexList count="1">
<index name="spectrum">
<offset idRef="S19" nativeID="19">4826</offset>
<offset idRef="S20" nativeID="20">7576</offset>
</index>
</indexList>
<indexListOffset>11300</indexListOffset>
<fileChecksum>39112d76329487bf095cff1fec09ad871d8fedfb</fileChecksum>
</indexedmzML>