Mercurial > repos > iracooke > msgfplus
diff test-data/bsa.mzid @ 0:a84952540969 draft
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author | iracooke |
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date | Mon, 03 Mar 2014 19:05:35 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/bsa.mzid Mon Mar 03 19:05:35 2014 -0500 @@ -0,0 +1,123 @@ +<?xml version="1.0" encoding="UTF-8"?> +<MzIdentML id="MS-GF+" version="1.1.0" xmlns="http://psidev.info/psi/pi/mzIdentML/1.1" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psidev.info/psi/pi/mzIdentML/1.1 http://www.psidev.info/files/mzIdentML1.1.0.xsd" creationDate="2013-06-05T16:52:19" > +<cvList xmlns="http://psidev.info/psi/pi/mzIdentML/1.1"> + <cv id="PSI-MS" uri="http://psidev.cvs.sourceforge.net/viewvc/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo" version="3.30.0" fullName="PSI-MS"/> + <cv id="UNIMOD" uri="http://www.unimod.org/obo/unimod.obo" fullName="UNIMOD"/> + <cv id="UO" uri="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo" fullName="UNIT-ONTOLOGY"/> +</cvList> +<AnalysisSoftwareList xmlns="http://psidev.info/psi/pi/mzIdentML/1.1"> + <AnalysisSoftware version="Beta (v9517)" name="MS-GF+" id="ID_software"> + <SoftwareName> + <cvParam accession="MS:1002048" cvRef="PSI-MS" name="MS-GF+"/> + </SoftwareName> + </AnalysisSoftware> +</AnalysisSoftwareList> +<SequenceCollection xmlns="http://psidev.info/psi/pi/mzIdentML/1.1"> + <DBSequence accession="sp|ALBU_BOVIN|" searchDatabase_ref="SearchDB_1" length="607" id="DBSeq1"> + <cvParam accession="MS:1001088" cvRef="PSI-MS" value="sp|ALBU_BOVIN|" name="protein description"/> + </DBSequence> + <Peptide id="Pep1"> + <PeptideSequence>YICDNQDTISSK</PeptideSequence> + <Modification monoisotopicMassDelta="57.021463735" location="3"> + <cvParam accession="UNIMOD:4" cvRef="UNIMOD" name="Carbamidomethyl"/> + </Modification> + </Peptide> + <PeptideEvidence isDecoy="false" post="L" pre="K" end="297" start="286" peptide_ref="Pep1" dBSequence_ref="DBSeq1" id="PepEv_286_1_286"/> +</SequenceCollection> +<AnalysisCollection xmlns="http://psidev.info/psi/pi/mzIdentML/1.1"> + <SpectrumIdentification spectrumIdentificationList_ref="SI_LIST_1" spectrumIdentificationProtocol_ref="SearchProtocol_1" id="SpecIdent_1"> + <InputSpectra spectraData_ref="SID_1"/> + <SearchDatabaseRef searchDatabase_ref="SearchDB_1"/> + </SpectrumIdentification> +</AnalysisCollection> +<AnalysisProtocolCollection xmlns="http://psidev.info/psi/pi/mzIdentML/1.1"> + <SpectrumIdentificationProtocol analysisSoftware_ref="ID_software" id="SearchProtocol_1"> + <SearchType> + <cvParam accession="MS:1001083" cvRef="PSI-MS" name="ms-ms search"/> + </SearchType> + <AdditionalSearchParams> + <cvParam accession="MS:1001211" cvRef="PSI-MS" name="parent mass type mono"/> + <cvParam accession="MS:1001256" cvRef="PSI-MS" name="fragment mass type mono"/> + <userParam value="false" name="TargetDecoyApproach"/> + <userParam value="0" name="MinIsotopeError"/> + <userParam value="1" name="MaxIsotopeError"/> + <userParam value="As written in the spectrum or CID if no info" name="FragmentMethod"/> + <userParam value="LowRes" name="Instrument"/> + <userParam value="NoProtocol" name="Protocol"/> + <userParam value="2" name="NumTolerableTermini"/> + <userParam value="1" name="NumMatchesPerSpec"/> + <userParam value="6" name="MinPepLength"/> + <userParam value="40" name="MaxPepLength"/> + <userParam value="2" name="MinCharge"/> + <userParam value="3" name="MaxCharge"/> + </AdditionalSearchParams> + <ModificationParams> + <SearchModification residues="C" massDelta="57.021465" fixedMod="true"> + <cvParam accession="UNIMOD:4" cvRef="UNIMOD" name="Carbamidomethyl"/> + </SearchModification> + </ModificationParams> + <Enzymes> + <Enzyme missedCleavages="1000" semiSpecific="false" id="Tryp"> + <EnzymeName> + <cvParam accession="MS:1001251" cvRef="PSI-MS" name="Trypsin"/> + </EnzymeName> + </Enzyme> + </Enzymes> + <ParentTolerance> + <cvParam accession="MS:1001412" cvRef="PSI-MS" unitCvRef="UO" unitName="parts per million" unitAccession="UO:0000169" value="200.0" name="search tolerance plus value"/> + <cvParam accession="MS:1001413" cvRef="PSI-MS" unitCvRef="UO" unitName="parts per million" unitAccession="UO:0000169" value="200.0" name="search tolerance minus value"/> + </ParentTolerance> + <Threshold> + <cvParam accession="MS:1001494" cvRef="PSI-MS" name="no threshold"/> + </Threshold> + </SpectrumIdentificationProtocol> +</AnalysisProtocolCollection> +<DataCollection xmlns="http://psidev.info/psi/pi/mzIdentML/1.1"> + <Inputs> + <SearchDatabase numDatabaseSequences="2" location="/Users/iracooke/Sources/protk-wk/bsa.fasta" id="SearchDB_1"> + <FileFormat> + <cvParam accession="MS:1001348" cvRef="PSI-MS" name="FASTA format"/> + </FileFormat> + <DatabaseName> + <userParam name="bsa.fasta"/> + </DatabaseName> + </SearchDatabase> + <SpectraData location="/Users/iracooke/Sources/protk-wk/bsa.mzML" name="bsa.mzML" id="SID_1"> + <FileFormat> + <cvParam accession="MS:1000584" cvRef="PSI-MS" name="mzML file"/> + </FileFormat> + <SpectrumIDFormat> + <cvParam accession="MS:1000774" cvRef="PSI-MS" name="multiple peak list nativeID format"/> + </SpectrumIDFormat> + </SpectraData> + </Inputs> + <AnalysisData> + <SpectrumIdentificationList id="SI_LIST_1"> + <FragmentationTable> + <Measure id="Measure_MZ"> + <cvParam accession="MS:1001225" cvRef="PSI-MS" unitCvRef="PSI-MS" unitName="m/z" unitAccession="MS:1000040" name="product ion m/z"/> + </Measure> + </FragmentationTable> + <SpectrumIdentificationResult spectraData_ref="SID_1" spectrumID="index=0" id="SIR_1"> + <SpectrumIdentificationItem passThreshold="true" rank="1" peptide_ref="Pep1" calculatedMassToCharge="722.3251953125" experimentalMassToCharge="722.3522338867188" chargeState="2" id="SII_1_1"> + <PeptideEvidenceRef peptideEvidence_ref="PepEv_286_1_286"/> + <cvParam accession="MS:1002049" cvRef="PSI-MS" value="21" name="MS-GF:RawScore"/> + <cvParam accession="MS:1002050" cvRef="PSI-MS" value="71" name="MS-GF:DeNovoScore"/> + <cvParam accession="MS:1002052" cvRef="PSI-MS" value="2.0246382E-9" name="MS-GF:SpecEValue"/> + <cvParam accession="MS:1002053" cvRef="PSI-MS" value="2.2635456E-6" name="MS-GF:EValue"/> + <userParam value="0" name="IsotopeError"/> + <userParam value="CID" name="AssumedDissociationMethod"/> + <userParam value="0.5818614" name="ExplainedIonCurrentRatio"/> + <userParam value="0.12558742" name="NTermIonCurrentRatio"/> + <userParam value="0.45627397" name="CTermIonCurrentRatio"/> + <userParam value="18513.0" name="MS2IonCurrent"/> + <userParam value="61.02686" name="MeanErrorAll"/> + <userParam value="64.35494" name="StdevErrorAll"/> + <userParam value="88.56576" name="MeanErrorTop7"/> + <userParam value="86.03032" name="StdevErrorTop7"/> + </SpectrumIdentificationItem> + </SpectrumIdentificationResult> + </SpectrumIdentificationList> + </AnalysisData> +</DataCollection> +</MzIdentML>