File: FileMerger_6_input2.mzML

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<?xml version="1.0" encoding="ISO-8859-1"?>
<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" version="1.1.0">

  <cvList count="2">
    <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"/>
    <cv id="UO" fullName="Unit Ontology" version="unknown" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo"/>
  </cvList>

  <fileDescription>
    <fileContent>
      <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
    </fileContent>
    <sourceFileList count="3">
      <sourceFile id="sf1" name="tiny1.RAW" location="file:///F:/data/Exp01">
        <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW file"/>
        <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="71be39fb2700ab2f3c8b2234b91274968b6899b1"/>
     		<cvParam cvRef="MS" accession="MS:1000774" name="multiple peak list nativeID format"/>
      </sourceFile>
      <sourceFile id="sf_parameters" name="parameters.par" location="file:///C:/settings/">
        <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW file"/>
        <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="61be39fb2700ab2f3c8b2234b91274968b6899b1"/>
				<cvParam cvRef="MS" accession="MS:1000824" name="no nativeID format" />
      </sourceFile>
      <sourceFile id="sf_spectrum_2" name="tiny1.dta" location="file:///F:/data/Exp01">
        <cvParam cvRef="MS" accession="MS:1000613" name="DTA file" value=""/>
        <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="81be39fb2700ab2f3c8b2234b91274968b6899b1"/>
				<cvParam cvRef="MS" accession="MS:1000824" name="no nativeID format" />
      </sourceFile>
    </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"/>
			<cvParam cvRef="MS" accession="MS:1000590" name="contact organization" value="Higglesworth University"/>
 			<userParam name="name" value="contact1"/>
    </contact>
  </fileDescription>
  
  <sampleList count="1">
    <sample id="sample1" name="Sample1">
 			<cvParam cvRef="MS" accession="MS:1000004" name="sample mass" value="11.7" unitAccession="UO:0000021" unitName="gram" unitCvRef="UO"/>
 			<cvParam cvRef="MS" accession="MS:1000001" name="sample number" value="5"/>
 			<cvParam cvRef="MS" accession="MS:1000005" name="sample volume" value="3.1" unitAccession="UO:0000098" unitName="milliliter" unitCvRef="UO"/>
 			<cvParam cvRef="MS" accession="MS:1000006" name="sample concentration" value="5.5" unitAccession="UO:0000175" unitName="gram per liter" unitCvRef="UO"/>
 			<userParam name="name" value="sample"/>
    </sample>
    <sample id="sample2"/>
  </sampleList>

  <softwareList count="3">
    <software id="Bioworks" version="3.3.1 sp1">
      <cvParam cvRef="MS" accession="MS:1000533" name="Bioworks"/>
    </software>
    <software id="pwiz" version="1.0">
      <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard"/>
    </software>
    <software id="Xcalibur" version="2.0.5">
      <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur"/>
    </software>
  </softwareList>

  <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"/>
      <cvParam cvRef="MS" accession="MS:1000032" name="customization" value="Umbau"/>
      <userParam name="name" value="instrumentConfiguration"/>
      <componentList count="4">
        <source order="1">
          <cvParam cvRef="MS" accession="MS:1000056" name="direct inlet" value=""/>
          <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" value=""/>
          <userParam name="name" value="source"/>
        </source>
        <analyzer order="2">
          <cvParam cvRef="MS" accession="MS:1000082" name="quadrupole ion trap" value=""/>
          <cvParam cvRef="MS" accession="MS:1000025" name="magnetic field strength" value="14.56" unitAccession="UO:0000228" unitName="tesla" unitCvRef="UO"/>
          <userParam name="name" value="analyzer1"/>
        </analyzer>
        <detector order="4">
          <cvParam cvRef="MS" accession="MS:1000253" name="electron multiplier" value=""/>
          <cvParam cvRef="MS" accession="MS:1000028" name="detector resolution" value="5.1"/>
          <cvParam cvRef="MS" accession="MS:1000029" name="sampling frequency" value="1.1" unitAccession="UO:0000106" unitName="hertz" unitCvRef="UO"/>
          <cvParam cvRef="MS" accession="MS:1000119" name="time-digital converter" value=""/>
          <userParam name="name" value="detector"/>
        </detector>
      </componentList>
      <softwareRef ref="Xcalibur"/>
    </instrumentConfiguration>
  </instrumentConfigurationList>

  <dataProcessingList count="2">
    <dataProcessing id="pwizconversion">
      <processingMethod order="2" softwareRef="pwiz">
        <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
      </processingMethod>
    </dataProcessing>
    <dataProcessing id="XcaliburProcessing">
      <processingMethod order="1" softwareRef="Xcalibur">
        <cvParam cvRef="MS" accession="MS:1000033" name="deisotoping" value=""/>
        <cvParam cvRef="MS" accession="MS:1000629" name="low intensity threshold" value="5.9" unitAccession="MS:1000131" unitName="number of counts" unitCvRef="MS"/>
  			<userParam name="name" value="processingMethod"/>
      </processingMethod>
    </dataProcessing>
  </dataProcessingList>

  <run id="Exp01" defaultSourceFileRef="sf1" defaultInstrumentConfigurationRef="LCQDeca" sampleRef="sample1" startTimeStamp="2007-06-27T15:23:45.00035">
  	<userParam name="int" type="xsd:integer" value="5"/>
  	<userParam name="string" value="bla"/>
  	<userParam name="flag"/>
  	<userParam name="float" type="xsd:float" value="5.11"/>

    <spectrumList count="2" defaultDataProcessingRef="pwizconversion">
      <spectrum index="0" id="index=1" defaultArrayLength="10">
      	<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
        <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
      	<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
        <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="320.39" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/>
        <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1003.56" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/>
        <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="456.347" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/>
        <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="16675500"/>
	      <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" />
	      <userParam name="name" value="spectrum2"/>
        <userParam name="name" value="scan2"/>
        <scanList count="1">
					<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
	        <scan externalSpectrumID="0">
		        <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="5.9905" unitAccession="UO:0000010" unitName="second" unitCvRef="UO"/>
		        <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="+ c d Full ms2  445.35@cid35.00 [ 110.00-905.00]"/>
		        <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="4"/>
		        <scanWindowList count="1">
		          <scanWindow>
		            <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="110" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/>
		            <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="905" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/>
		          </scanWindow>
		        </scanWindowList>
		      </scan>
		    </scanList>
        <precursorList count="1">
          <precursor spectrumRef="index=1">
            <selectedIonList count="1">
              <selectedIon>
                <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="445.34" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/>
                <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="120053" unitAccession="MS:1000132" unitName="percent of base peak" unitCvRef="MS" />
                <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:1000509" name="activation energy" value="35" unitAccession="UO:0000266" unitName="electronvolt" unitCvRef="UO"/>
            </activation>
          </precursor>
        </precursorList>
        <binaryDataArrayList count="2">
          <binaryDataArray 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" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS"/>
            <binary>AAAAAAAAAAAAAAAAAAAAQAAAAAAAABBAAAAAAAAAGEAAAAAAAAAgQAAAAAAAACRAAAAAAAAAKEAAAAAAAAAsQAAAAAAAADBAAAAAAAAAMkA=</binary>
          </binaryDataArray>
          <binaryDataArray 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="" unitAccession="MS:1000131" unitName="number of counts" unitCvRef="MS"/>
            <binary>AAAAAAAANEAAAAAAAAAyQAAAAAAAADBAAAAAAAAALEAAAAAAAAAoQAAAAAAAACRAAAAAAAAAIEAAAAAAAAAYQAAAAAAAABBAAAAAAAAAAEA=</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
      <spectrum index="1" id="index=2" defaultArrayLength="0" sourceFileRef="sf_spectrum_2">
      	<cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
        <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
      	<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
      	<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
				<userParam name="name" value="spectrum3"/>
        <scanList count="1">
					<cvParam cvRef="MS" accession="MS:1000795" name="no combination"/>
	        <scan externalSpectrumID="0">
		      	<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6.0905" unitAccession="UO:0000010" unitName="second" unitCvRef="UO"/>
		      </scan>
		    </scanList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>