InSilicoSpectro
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scripts/peptSpectra/example.idr.xml view on Meta::CPAN
</oneIonicSeries>
<oneIonicSeries fragType='b-H2O'>
<expTheoSpectraMatch len='11'>
<expMoz>-1:-1:-1:-1:-1:-1:783.413:-1:-1:-1:-1</expMoz>
<expIntensity>-1:-1:-1:-1:-1:-1:9542.989:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:-1:-1:-1:-1:-1:0:-1:-1:-1:-1</expIntensitySlice>
<theoMass>-1:-1:-1:-1:-1:654.347:783.390:912.432:1040.491:1153.575:1309.676</theoMass>
<deltaMass>-9999:-9999:-9999:-9999:-9999:-9999:-0.024:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='b-NH3'>
<expTheoSpectraMatch len='11'>
<expMoz>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>-1:-1:-1:-1:-1:-1:-1:-1:1041.464:1154.548:1310.649</theoMass>
<deltaMass>-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='y'>
<expTheoSpectraMatch len='11'>
<expMoz>1346.126:-1:1080.533:-1:846.464:775.420:674.403:545.322:416.279:288.210:175.131</expMoz>
<expIntensity>3523864.300:-1:202689.310:-1:82189.916:77879.444:82274.033:119695.490:105785.600:41567.247:105843.740</expIntensity>
<expIntensitySlice>4:-1:4:-1:3:3:3:4:3:2:3</expIntensitySlice>
<theoMass>1345.697:1208.638:1080.543:983.490:846.432:775.394:674.347:545.304:416.262:288.203:175.119</theoMass>
<deltaMass>-0.429:-9999:0.011:-9999:-0.033:-0.026:-0.056:-0.018:-0.017:-0.007:-0.012</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='y-H2O'>
<expTheoSpectraMatch len='11'>
<expMoz>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>1327.687:1190.628:1062.533:965.480:828.421:757.384:-1:-1:-1:-1:-1</theoMass>
<deltaMass>-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='y-NH3'>
<expTheoSpectraMatch len='11'>
<expMoz>-1:-1:1063.514:-1:-1:-1:-1:-1:-1:271.208:158.105</expMoz>
<expIntensity>-1:-1:148286.440:-1:-1:-1:-1:-1:-1:34026.373:34417.434</expIntensity>
<expIntensitySlice>-1:-1:4:-1:-1:-1:-1:-1:-1:1:1</expIntensitySlice>
<theoMass>1328.660:1191.601:1063.506:966.453:829.394:758.357:657.310:528.267:399.224:271.166:158.082</theoMass>
<deltaMass>-9999:-9999:-0.008:-9999:-9999:-9999:-9999:-9999:-9999:-0.042:-0.023</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
</ionicSeries>
<idl:ExtraPeptideData>
<idl:OnePeptideData name="nbPotPept" value="17306"/>
<idl:OnePeptideData name="spectrumNbPeaks" value="69"/>
<idl:OnePeptideData name="spectrumGaussianParam" value="-22.750:7.631:0.018(17306)"/>
</idl:ExtraPeptideData>
</idl:PeptideMatch>
</idl:DBMatch>
<idl:DBMatch>
<idl:AC>Q14766_WOSIG0</idl:AC>
<idl:ID>LTB1L_HUMAN</idl:ID>
<idl:SeqVersion></idl:SeqVersion>
<idl:SeqLength>1572</idl:SeqLength>
<idl:SeqString start="0" length="1572">RLRRITYVVHPGPGLAAGALPLSGPPASSRTFNVALNARYSRSSAAAGAPSRASPGVPSERTRRTSKPGGAALQGLRPPPPPPPEPARPAVPGGQLHPNPGGHPAAAPFTKQGRQVVRSKVPQETQSGGGSRLQVHQKQQLQGVNVCGGRCCHGWSKAPGSQRCTKPSCVPPCQNGGMCLRPQLCVCKPGTKGKACETIAAQD...
<idl:SeqMass>170696.592</idl:SeqMass>
<idl:SeqPI>5.302</idl:SeqPI>
<idl:OrigDatabase></idl:OrigDatabase>
<idl:OrigAC>Q14766</idl:OrigAC>
<idl:OrigRelease></idl:OrigRelease>
<idl:OrigSeqVersion></idl:OrigSeqVersion>
<idl:MatchDescr><![CDATA[Latent transforming growth factor beta binding protein, isoform 1L precursor (LTBP-1) (Transforming growth factor beta-1 binding protein 1) (TGF-beta1-BP-1)]]></idl:MatchDescr>
<idl:score>6.583</idl:score>
<idl:coverage>0.011</idl:coverage>
<idl:ExtraDBMatchData>
<idl:OneDBMatchData name="scoreNoZ" value="0.579"/>
</idl:ExtraDBMatchData>
<idl:PeptideMatch matchType="msms">
<idl:spectrum>
<idl:SpectrumDescr>Scan 1 (rt=0)</idl:SpectrumDescr>
<idl:SpectrumRef sampleNumber="0" compoundNumber="5" charge="1" acquTime="-1"/>
</idl:spectrum>
<idl:sequence aaBefore="K" aaAfter="E">AGPHCEKCPLPGTAAFK</idl:sequence>
<idl:charge>1</idl:charge>
<idl:PeptScore>0.579</idl:PeptScore>
<idl:PeptZScore>6.58</idl:PeptZScore>
<idl:zValue>2.31e-11</idl:zValue>
<idl:spectrumNbMatches>22103</idl:spectrumNbMatches>
<idl:pValue>5.11e-07</idl:pValue>
<idl:validity confidence="1">dbValid</idl:validity>
<idl:PeptSignifScore>0.</idl:PeptSignifScore>
<idl:ScorePercent>1</idl:ScorePercent>
<idl:start>560</idl:start>
<idl:end>576</idl:end>
<idl:frame>-1</idl:frame>
<idl:PeptideDelta>0.015</idl:PeptideDelta>
<idl:PeptideMass>1782.854</idl:PeptideMass>
<idl:MissedCleav>1</idl:MissedCleav>
<idl:modif>::::::::Cys_CAM_regexp::::::::::</idl:modif>
<ionicSeries>
<oneIonicSeries fragType='a'>
<expTheoSpectraMatch len='17'>
<expMoz>-1:101.072:-1:-1:438.322:-1:-1:-1:-1:1065.518:-1:-1:-1:-1:-1:1609.627:-1</expMoz>
<expIntensity>-1:22055.811:-1:-1:8452.376:-1:-1:-1:-1:21950.809:-1:-1:-1:-1:-1:78255.046:-1</expIntensity>
<expIntensitySlice>-1:2:-1:-1:0:-1:-1:-1:-1:2:-1:-1:-1:-1:-1:3:-1</expIntensitySlice>
<theoMass>44.049:101.071:198.124:335.183:438.192:567.234:695.329:855.360:952.413:1065.497:1162.550:1219.571:1320.619:1391.656:1462.693:1609.761:1737.856</theoMass>
<deltaMass>-9999:-0.001:-9999:-9999:-0.130:-9999:-9999:-9999:-9999:-0.022:-9999:-9999:-9999:-9999:-9999:0.134:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='a-NH3'>
<expTheoSpectraMatch len='17'>
<expMoz>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</theoMass>
<deltaMass>-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='b'>
<expTheoSpectraMatch len='17'>
<expMoz>-1:129.119:-1:-1:466.332:-1:-1:883.454:-1:-1:1190.553:-1:-1:-1:-1:1637.543:-1</expMoz>
<expIntensity>-1:9829.899:-1:-1:71082.603:-1:-1:107163.740:-1:-1:116578.840:-1:-1:-1:-1:112689.900:-1</expIntensity>
<expIntensitySlice>-1:0:-1:-1:3:-1:-1:4:-1:-1:4:-1:-1:-1:-1:4:-1</expIntensitySlice>
<theoMass>72.044:129.066:226.119:363.178:466.187:595.229:723.324:883.355:980.408:1093.492:1190.544:1247.566:1348.614:1419.651:1490.688:1637.756:1765.851</theoMass>
<deltaMass>-9999:-0.053:-9999:-9999:-0.145:-9999:-9999:-0.099:-9999:-9999:-0.008:-9999:-9999:-9999:-9999:0.213:-9999</deltaMass>
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