File: one_scan.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" accession="" version="1.1.0">
	<cvList count="2">
		<cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>
		<cv id="UO" fullName="Unit Ontology" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo"/>
	</cvList>
	<fileDescription>
		<fileContent>
			<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
		</fileContent>
	</fileDescription>
	<sampleList count="1">
		<sample id="sa_0" name="">
			<cvParam cvRef="MS" accession="MS:1000004" name="sample mass" value="0"  unitAccession="UO:0000021" unitName="gram" unitCvRef="UO" />
			<cvParam cvRef="MS" accession="MS:1000005" name="sample volume" value="0" unitAccession="UO:0000098" unitName="milliliter" unitCvRef="UO" />
			<cvParam cvRef="MS" accession="MS:1000006" name="sample concentration" value="0" unitAccession="UO:0000175" unitName="gram per liter" unitCvRef="UO" />
		</sample>
	</sampleList>
	<softwareList count="11">
		<software id="so_in_0" version="2.4 SP1" >
			<cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" />
		</software>
		<software id="so_default" version="" >
			<cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="" />
		</software>
		<software id="so_dp_sp_0_pm_0" version="1.6.0" >
			<cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" />
		</software>
		<software id="so_dp_sp_0_pm_1" version="1.6.0" >
			<cvParam cvRef="MS" accession="MS:1000757" name="FileFilter" />
		</software>
		<software id="so_dp_sp_0_pm_2" version="1.6.0" >
			<cvParam cvRef="MS" accession="MS:1000763" name="PeakPicker" />
		</software>
		<software id="so_dp_sp_0_pm_3" version="1.6.0" >
			<cvParam cvRef="MS" accession="MS:1000758" name="FileMerger" />
		</software>
		<software id="so_dp_sp_0_pm_4" version="1.6.0" >
			<cvParam cvRef="MS" accession="MS:1000757" name="FileFilter" />
		</software>
		<software id="so_dp_sp_1_pm_0" version="1.6.0" >
			<cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" />
		</software>
		<software id="so_dp_sp_1_pm_1" version="1.6.0" >
			<cvParam cvRef="MS" accession="MS:1000757" name="FileFilter" />
		</software>
		<software id="so_dp_sp_1_pm_2" version="1.6.0" >
			<cvParam cvRef="MS" accession="MS:1000758" name="FileMerger" />
		</software>
		<software id="so_dp_sp_1_pm_3" version="1.6.0" >
			<cvParam cvRef="MS" accession="MS:1000757" name="FileFilter" />
		</software>
	</softwareList>
	<instrumentConfigurationList count="1">
		<instrumentConfiguration id="ic_0">
			<cvParam cvRef="MS" accession="MS:1000556" name="LTQ Orbitrap XL" />
			<componentList count="3">
				<source order="1">
					<cvParam cvRef="MS" accession="MS:1000485" name="nanospray inlet" />
					<cvParam cvRef="MS" accession="MS:1000398" name="nanoelectrospray" />
				</source>
				<analyzer order="2">
					<cvParam cvRef="MS" accession="MS:1000014" name="accuracy" value="0" unitAccession="UO:0000169" unitName="parts per million" unitCvRef="UO" />
					<cvParam cvRef="MS" accession="MS:1000022" name="TOF Total Path Length" value="0" unitAccession="UO:0000008" unitName="meter" unitCvRef="UO" />
					<cvParam cvRef="MS" accession="MS:1000024" name="final MS exponent" value="0" />
					<cvParam cvRef="MS" accession="MS:1000025" name="magnetic field strength" value="0" unitAccession="UO:0000228" unitName="tesla" unitCvRef="UO" />
					<cvParam cvRef="MS" accession="MS:1000484" name="orbitrap" />
				</analyzer>
				<detector order="3">
					<cvParam cvRef="MS" accession="MS:1000028" name="detector resolution" value="0" />
					<cvParam cvRef="MS" accession="MS:1000029" name="sampling frequency" value="0" unitAccession="UO:0000106" unitName="hertz" unitCvRef="UO" />
					<cvParam cvRef="MS" accession="MS:1000624" name="inductive detector" />
				</detector>
			</componentList>
			<softwareRef ref="so_in_0" />
		</instrumentConfiguration>
	</instrumentConfigurationList>
	<dataProcessingList count="2">
		<dataProcessing id="dp_sp_0">
			<processingMethod order="0" softwareRef="so_dp_sp_0_pm_0">
				<cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" />
			</processingMethod>
			<processingMethod order="0" softwareRef="so_dp_sp_0_pm_1">
				<cvParam cvRef="MS" accession="MS:1001486" name="data filtering" />
				<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2009-10-23+10:45" />
				<userParam name="parameter: in" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol.mzML"/>
				<userParam name="parameter: out" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_MS1.mzML"/>
				<userParam name="parameter: level" type="xsd:string" value="[1]"/>
			</processingMethod>
			<processingMethod order="0" softwareRef="so_dp_sp_0_pm_2">
				<cvParam cvRef="MS" accession="MS:1000035" name="peak picking" />
				<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2009-10-23+11:03" />
				<userParam name="parameter: in" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_MS1.mzML"/>
				<userParam name="parameter: out" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_MS1_picked.mzML"/>
				<userParam name="parameter: ini" type="xsd:string" value="PP_high_res.ini"/>
				<userParam name="parameter: type" type="xsd:string" value="high_res"/>
				<userParam name="parameter: log" type="xsd:string" value="TOPP.log"/>
				<userParam name="parameter: debug" type="xsd:integer" value="0"/>
				<userParam name="parameter: threads" type="xsd:integer" value="1"/>
				<userParam name="parameter: no_progress" type="xsd:string" value="false"/>
				<userParam name="parameter: test" type="xsd:string" value="false"/>
				<userParam name="parameter: algorithm:signal_to_noise" type="xsd:double" value="1"/>
			</processingMethod>
			<processingMethod order="0" softwareRef="so_dp_sp_0_pm_3">
				<cvParam cvRef="MS" accession="MS:1000530" name="file format conversion" />
				<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2009-10-26+11:31" />
				<userParam name="parameter: in" type="xsd:string" value="[20090810_SvNa_QC_BSA50fmol_MS1_picked.mzML, 20090810_SvNa_QC_BSA50fmol_MS2.mzML]"/>
				<userParam name="parameter: out" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_picked.mzML"/>
			</processingMethod>
			<processingMethod order="0" softwareRef="so_dp_sp_0_pm_4">
				<cvParam cvRef="MS" accession="MS:1001486" name="data filtering" />
				<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2009-10-26+12:21" />
				<userParam name="parameter: in" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_picked.mzML"/>
				<userParam name="parameter: out" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_picked_mz0_800_rt1500_2500.mzML"/>
				<userParam name="parameter: mz" type="xsd:string" value="0:800"/>
				<userParam name="parameter: rt" type="xsd:string" value="1500:2500"/>
			</processingMethod>
		</dataProcessing>
		<dataProcessing id="dp_sp_1">
			<processingMethod order="0" softwareRef="so_dp_sp_1_pm_0">
				<cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" />
			</processingMethod>
			<processingMethod order="0" softwareRef="so_dp_sp_1_pm_1">
				<cvParam cvRef="MS" accession="MS:1001486" name="data filtering" />
				<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2009-10-23+10:57" />
				<userParam name="parameter: in" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol.mzML"/>
				<userParam name="parameter: out" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_MS2.mzML"/>
				<userParam name="parameter: level" type="xsd:string" value="[2]"/>
			</processingMethod>
			<processingMethod order="0" softwareRef="so_dp_sp_1_pm_2">
				<cvParam cvRef="MS" accession="MS:1000530" name="file format conversion" />
				<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2009-10-26+11:31" />
				<userParam name="parameter: in" type="xsd:string" value="[20090810_SvNa_QC_BSA50fmol_MS1_picked.mzML, 20090810_SvNa_QC_BSA50fmol_MS2.mzML]"/>
				<userParam name="parameter: out" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_picked.mzML"/>
			</processingMethod>
			<processingMethod order="0" softwareRef="so_dp_sp_1_pm_3">
				<cvParam cvRef="MS" accession="MS:1001486" name="data filtering" />
				<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2009-10-26+12:21" />
				<userParam name="parameter: in" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_picked.mzML"/>
				<userParam name="parameter: out" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol_picked_mz0_800_rt1500_2500.mzML"/>
				<userParam name="parameter: mz" type="xsd:string" value="0:800"/>
				<userParam name="parameter: rt" type="xsd:string" value="1500:2500"/>
			</processingMethod>
		</dataProcessing>
	</dataProcessingList>
	<run id="ru_0" defaultInstrumentConfigurationRef="ic_0" sampleRef="sa_0" startTimeStamp="2009-08-09T22:32:31">
		<userParam name="mzml_id" type="xsd:string" value="20090810_SvNa_QC_BSA50fmol.RAW"/>
		<spectrumList count="1684" defaultDataProcessingRef="dp_sp_0">
			<spectrum id="spectrum=1011" index="0" defaultArrayLength="467" dataProcessingRef="dp_sp_0">
				<cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
				<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
				<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
				<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
					<userParam name="base peak m/z" type="xsd:double" value="391.284088134766"/>
					<userParam name="base peak intensity" type="xsd:double" value="928844.25"/>
					<userParam name="total ion current" type="xsd:double" value="6937649"/>
					<userParam name="lowest observed m/z" type="xsd:double" value="300.000828877017"/>
					<userParam name="highest observed m/z" type="xsd:double" value="2008.45845882999"/>
					<userParam name="filter string" type="xsd:string" value="FTMS + p NSI Full ms [300.00-2000.00]"/>
					<userParam name="preset scan configuration" type="xsd:string" value="1"/>
				<scanList count="1">
					<cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
					<scan >
						<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="1501.41394042969" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
						<scanWindowList count="1">
							<scanWindow>
								<cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="300" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
								<cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
							</scanWindow>
						</scanWindowList>
					</scan>
				</scanList>
				<binaryDataArrayList count="2">
					<binaryDataArray encodedLength="4984">
						<cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
						<cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
						<cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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