Mercurial > repos > galaxyp > maxquant
comparison test-data/06/mqpar.xml @ 21:8934bc76bb52 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 419e4f6608f60f0d73987b890d6b7f8854e874fb
| author | galaxyp |
|---|---|
| date | Mon, 19 Jun 2023 17:02:17 +0000 |
| parents | 837224ad1694 |
| children |
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| 20:837224ad1694 | 21:8934bc76bb52 |
|---|---|
| 21 <pvalThres>0.005</pvalThres> | 21 <pvalThres>0.005</pvalThres> |
| 22 <rtShift>False</rtShift> | 22 <rtShift>False</rtShift> |
| 23 <separateLfq>False</separateLfq> | 23 <separateLfq>False</separateLfq> |
| 24 <lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios> | 24 <lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios> |
| 25 <lfqRequireMsms>True</lfqRequireMsms> | 25 <lfqRequireMsms>True</lfqRequireMsms> |
| 26 <lfqBayesQuant>False</lfqBayesQuant> | |
| 26 <decoyMode>randomize</decoyMode> | 27 <decoyMode>randomize</decoyMode> |
| 27 <boxCarMode>all</boxCarMode> | 28 <boxCarMode>all</boxCarMode> |
| 28 <includeContaminants>False</includeContaminants> | 29 <includeContaminants>False</includeContaminants> |
| 29 <maxPeptideMass>4600</maxPeptideMass> | 30 <maxPeptideMass>4600</maxPeptideMass> |
| 30 <epsilonMutationScore>True</epsilonMutationScore> | 31 <epsilonMutationScore>True</epsilonMutationScore> |
| 53 <splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy> | 54 <splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy> |
| 54 <taxonomyLevel>Species</taxonomyLevel> | 55 <taxonomyLevel>Species</taxonomyLevel> |
| 55 <avalon>False</avalon> | 56 <avalon>False</avalon> |
| 56 <nModColumns>3</nModColumns> | 57 <nModColumns>3</nModColumns> |
| 57 <ibaqLogFit>False</ibaqLogFit> | 58 <ibaqLogFit>False</ibaqLogFit> |
| 59 <ibaqChargeNormalization>False</ibaqChargeNormalization> | |
| 58 <razorProteinFdr>True</razorProteinFdr> | 60 <razorProteinFdr>True</razorProteinFdr> |
| 59 <deNovoSequencing>False</deNovoSequencing> | 61 <deNovoSequencing>False</deNovoSequencing> |
| 60 <deNovoVarMods>True</deNovoVarMods> | 62 <deNovoVarMods>False</deNovoVarMods> |
| 63 <deNovoCompleteSequence>False</deNovoCompleteSequence> | |
| 64 <deNovoCalibratedMasses>False</deNovoCalibratedMasses> | |
| 65 <deNovoMaxIterations>0</deNovoMaxIterations> | |
| 66 <deNovoProteaseReward>0</deNovoProteaseReward> | |
| 67 <deNovoProteaseRewardTof>0</deNovoProteaseRewardTof> | |
| 68 <deNovoAgPenalty>0</deNovoAgPenalty> | |
| 69 <deNovoGgPenalty>0</deNovoGgPenalty> | |
| 70 <deNovoUseComplementScore>True</deNovoUseComplementScore> | |
| 71 <deNovoUseProteaseScore>True</deNovoUseProteaseScore> | |
| 72 <deNovoUseWaterLossScore>True</deNovoUseWaterLossScore> | |
| 73 <deNovoUseAmmoniaLossScore>True</deNovoUseAmmoniaLossScore> | |
| 74 <deNovoUseA2Score>True</deNovoUseA2Score> | |
| 61 <massDifferenceSearch>False</massDifferenceSearch> | 75 <massDifferenceSearch>False</massDifferenceSearch> |
| 62 <isotopeCalc>False</isotopeCalc> | 76 <isotopeCalc>False</isotopeCalc> |
| 63 <writePeptidesForSpectrumFile/> | 77 <writePeptidesForSpectrumFile/> |
| 64 <intensityPredictionsFile> | 78 <intensityPredictionsFile> |
| 65 </intensityPredictionsFile> | 79 </intensityPredictionsFile> |
| 95 </massDifferenceMods> | 109 </massDifferenceMods> |
| 96 <mainSearchMaxCombinations>200</mainSearchMaxCombinations> | 110 <mainSearchMaxCombinations>200</mainSearchMaxCombinations> |
| 97 <writeMsScansTable>False</writeMsScansTable> | 111 <writeMsScansTable>False</writeMsScansTable> |
| 98 <writeMsmsScansTable>True</writeMsmsScansTable> | 112 <writeMsmsScansTable>True</writeMsmsScansTable> |
| 99 <writePasefMsmsScansTable>True</writePasefMsmsScansTable> | 113 <writePasefMsmsScansTable>True</writePasefMsmsScansTable> |
| 100 <writeAccumulatedPasefMsmsScansTable>False</writeAccumulatedPasefMsmsScansTable> | 114 <writeAccumulatedMsmsScansTable>True</writeAccumulatedMsmsScansTable> |
| 101 <writeMs3ScansTable>True</writeMs3ScansTable> | 115 <writeMs3ScansTable>True</writeMs3ScansTable> |
| 102 <writeAllPeptidesTable>True</writeAllPeptidesTable> | 116 <writeAllPeptidesTable>True</writeAllPeptidesTable> |
| 103 <writeMzRangeTable>True</writeMzRangeTable> | 117 <writeMzRangeTable>True</writeMzRangeTable> |
| 104 <writeDiaFragmentTable>False</writeDiaFragmentTable> | 118 <writeDiaFragmentTable>False</writeDiaFragmentTable> |
| 119 <writeDiaFragmentQuantTable>False</writeDiaFragmentQuantTable> | |
| 105 <writeMzTab>True</writeMzTab> | 120 <writeMzTab>True</writeMzTab> |
| 106 <disableMd5>False</disableMd5> | 121 <disableMd5>False</disableMd5> |
| 107 <cacheBinInds>True</cacheBinInds> | 122 <cacheBinInds>True</cacheBinInds> |
| 108 <etdIncludeB>False</etdIncludeB> | 123 <etdIncludeB>False</etdIncludeB> |
| 109 <ms2PrecursorShift>0</ms2PrecursorShift> | 124 <ms2PrecursorShift>0</ms2PrecursorShift> |
| 110 <complementaryIonPpm>20</complementaryIonPpm> | 125 <complementaryIonPpm>20</complementaryIonPpm> |
| 111 <variationParseRule/> | 126 <variationParseRule/> |
| 112 <variationMode>none</variationMode> | 127 <variationMode>none</variationMode> |
| 113 <useSeriesReporters>False</useSeriesReporters> | 128 <useSeriesReporters>False</useSeriesReporters> |
| 114 <name>templateSession</name> | 129 <name>templateSession</name> |
| 115 <maxQuantVersion>1.6.17.0</maxQuantVersion> | 130 <maxQuantVersion>2.0.3.0</maxQuantVersion> |
| 116 <pluginFolder/> | 131 <pluginFolder/> |
| 117 <numThreads>2</numThreads> | 132 <numThreads>1</numThreads> |
| 118 <batchSize>1</batchSize> | |
| 119 <emailAddress/> | 133 <emailAddress/> |
| 120 <smtpHost/> | 134 <smtpHost/> |
| 121 <emailFromAddress/> | 135 <emailFromAddress/> |
| 122 <fixedCombinedFolder/> | 136 <fixedCombinedFolder/> |
| 123 <fullMinMz>-1.79769313486232E+308</fullMinMz> | 137 <fullMinMz>-1.79769313486232E+308</fullMinMz> |
| 155 <string/> | 169 <string/> |
| 156 </referenceChannel> | 170 </referenceChannel> |
| 157 <intensPred>False</intensPred> | 171 <intensPred>False</intensPred> |
| 158 <intensPredModelReTrain>False</intensPredModelReTrain> | 172 <intensPredModelReTrain>False</intensPredModelReTrain> |
| 159 <lfqTopNPeptides>0</lfqTopNPeptides> | 173 <lfqTopNPeptides>0</lfqTopNPeptides> |
| 174 <diaJoinPrecChargesForLfq>False</diaJoinPrecChargesForLfq> | |
| 175 <diaFragChargesForQuant>1</diaFragChargesForQuant> | |
| 176 <timsRearrangeSpectra>False</timsRearrangeSpectra> | |
| 177 <gridSpacing>0.5</gridSpacing> | |
| 178 <proteinGroupingFile/> | |
| 160 <parameterGroups> | 179 <parameterGroups> |
| 161 <parameterGroup> | 180 <parameterGroup> |
| 162 <msInstrument>0</msInstrument> | 181 <msInstrument>0</msInstrument> |
| 163 <maxCharge>7</maxCharge> | 182 <maxCharge>7</maxCharge> |
| 164 <minPeakLen>2</minPeakLen> | 183 <minPeakLen>2</minPeakLen> |
| 278 <timsRemovePrecursor>True</timsRemovePrecursor> | 297 <timsRemovePrecursor>True</timsRemovePrecursor> |
| 279 <timsIsobaricLabels>False</timsIsobaricLabels> | 298 <timsIsobaricLabels>False</timsIsobaricLabels> |
| 280 <timsCollapseMsms>True</timsCollapseMsms> | 299 <timsCollapseMsms>True</timsCollapseMsms> |
| 281 <crossLinkingType>0</crossLinkingType> | 300 <crossLinkingType>0</crossLinkingType> |
| 282 <crossLinker/> | 301 <crossLinker/> |
| 283 <minMatchXl>0</minMatchXl> | 302 <minMatchXl>3</minMatchXl> |
| 284 <minPairedPepLenXl>6</minPairedPepLenXl> | 303 <minPairedPepLenXl>6</minPairedPepLenXl> |
| 304 <minScore_Dipeptide>40</minScore_Dipeptide> | |
| 305 <minScore_Monopeptide>0</minScore_Monopeptide> | |
| 306 <minScore_PartialCross>10</minScore_PartialCross> | |
| 285 <crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein> | 307 <crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein> |
| 308 <crosslinkIntensityBasedPrecursor>True</crosslinkIntensityBasedPrecursor> | |
| 309 <isHybridPrecDetermination>False</isHybridPrecDetermination> | |
| 310 <topXcross>3</topXcross> | |
| 311 <doesSeparateInterIntraProteinCross>False</doesSeparateInterIntraProteinCross> | |
| 286 <crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated> | 312 <crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated> |
| 287 <crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated> | 313 <crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated> |
| 288 <crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated> | 314 <crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated> |
| 289 <crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated> | 315 <crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated> |
| 290 <crosslinkModifications> | 316 <crosslinkModifications> |
| 297 </crosslinkNetworkFiles> | 323 </crosslinkNetworkFiles> |
| 298 <crosslinkMode/> | 324 <crosslinkMode/> |
| 299 <peakRefinement>False</peakRefinement> | 325 <peakRefinement>False</peakRefinement> |
| 300 <isobaricSumOverWindow>True</isobaricSumOverWindow> | 326 <isobaricSumOverWindow>True</isobaricSumOverWindow> |
| 301 <isobaricWeightExponent>0.75</isobaricWeightExponent> | 327 <isobaricWeightExponent>0.75</isobaricWeightExponent> |
| 328 <collapseMsmsOnIsotopePatterns>False</collapseMsmsOnIsotopePatterns> | |
| 302 <diaLibraryType>0</diaLibraryType> | 329 <diaLibraryType>0</diaLibraryType> |
| 303 <diaLibraryPaths> | 330 <diaLibraryPaths> |
| 304 </diaLibraryPaths> | 331 </diaLibraryPaths> |
| 305 <diaPeptidePaths> | 332 <diaPeptidePaths> |
| 306 </diaPeptidePaths> | 333 </diaPeptidePaths> |
| 343 <diaPermuteCcs>False</diaPermuteCcs> | 370 <diaPermuteCcs>False</diaPermuteCcs> |
| 344 <diaBackgroundSubtraction>False</diaBackgroundSubtraction> | 371 <diaBackgroundSubtraction>False</diaBackgroundSubtraction> |
| 345 <diaBackgroundSubtractionQuantile>0.5</diaBackgroundSubtractionQuantile> | 372 <diaBackgroundSubtractionQuantile>0.5</diaBackgroundSubtractionQuantile> |
| 346 <diaBackgroundSubtractionFactor>4</diaBackgroundSubtractionFactor> | 373 <diaBackgroundSubtractionFactor>4</diaBackgroundSubtractionFactor> |
| 347 <diaLfqWeightedMedian>False</diaLfqWeightedMedian> | 374 <diaLfqWeightedMedian>False</diaLfqWeightedMedian> |
| 375 <diaTransferQvalue>0.3</diaTransferQvalue> | |
| 376 <diaOnlyIsosForRecal>True</diaOnlyIsosForRecal> | |
| 377 <diaMinPeaksForRecal>5</diaMinPeaksForRecal> | |
| 378 <diaUseFragIntensForMl>False</diaUseFragIntensForMl> | |
| 379 <diaUseFragMassesForMl>False</diaUseFragMassesForMl> | |
| 380 <diaMaxTrainInstances>1000000</diaMaxTrainInstances> | |
| 348 </parameterGroup> | 381 </parameterGroup> |
| 349 <parameterGroup> | 382 <parameterGroup> |
| 350 <msInstrument>0</msInstrument> | 383 <msInstrument>0</msInstrument> |
| 351 <maxCharge>7</maxCharge> | 384 <maxCharge>7</maxCharge> |
| 352 <minPeakLen>2</minPeakLen> | 385 <minPeakLen>2</minPeakLen> |
| 480 <timsRemovePrecursor>True</timsRemovePrecursor> | 513 <timsRemovePrecursor>True</timsRemovePrecursor> |
| 481 <timsIsobaricLabels>False</timsIsobaricLabels> | 514 <timsIsobaricLabels>False</timsIsobaricLabels> |
| 482 <timsCollapseMsms>True</timsCollapseMsms> | 515 <timsCollapseMsms>True</timsCollapseMsms> |
| 483 <crossLinkingType>0</crossLinkingType> | 516 <crossLinkingType>0</crossLinkingType> |
| 484 <crossLinker/> | 517 <crossLinker/> |
| 485 <minMatchXl>0</minMatchXl> | 518 <minMatchXl>3</minMatchXl> |
| 486 <minPairedPepLenXl>6</minPairedPepLenXl> | 519 <minPairedPepLenXl>6</minPairedPepLenXl> |
| 520 <minScore_Dipeptide>40</minScore_Dipeptide> | |
| 521 <minScore_Monopeptide>0</minScore_Monopeptide> | |
| 522 <minScore_PartialCross>10</minScore_PartialCross> | |
| 487 <crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein> | 523 <crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein> |
| 524 <crosslinkIntensityBasedPrecursor>True</crosslinkIntensityBasedPrecursor> | |
| 525 <isHybridPrecDetermination>False</isHybridPrecDetermination> | |
| 526 <topXcross>3</topXcross> | |
| 527 <doesSeparateInterIntraProteinCross>False</doesSeparateInterIntraProteinCross> | |
| 488 <crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated> | 528 <crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated> |
| 489 <crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated> | 529 <crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated> |
| 490 <crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated> | 530 <crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated> |
| 491 <crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated> | 531 <crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated> |
| 492 <crosslinkModifications> | 532 <crosslinkModifications> |
| 499 </crosslinkNetworkFiles> | 539 </crosslinkNetworkFiles> |
| 500 <crosslinkMode/> | 540 <crosslinkMode/> |
| 501 <peakRefinement>False</peakRefinement> | 541 <peakRefinement>False</peakRefinement> |
| 502 <isobaricSumOverWindow>True</isobaricSumOverWindow> | 542 <isobaricSumOverWindow>True</isobaricSumOverWindow> |
| 503 <isobaricWeightExponent>0.75</isobaricWeightExponent> | 543 <isobaricWeightExponent>0.75</isobaricWeightExponent> |
| 544 <collapseMsmsOnIsotopePatterns>False</collapseMsmsOnIsotopePatterns> | |
| 504 <diaLibraryType>0</diaLibraryType> | 545 <diaLibraryType>0</diaLibraryType> |
| 505 <diaLibraryPaths> | 546 <diaLibraryPaths> |
| 506 </diaLibraryPaths> | 547 </diaLibraryPaths> |
| 507 <diaPeptidePaths> | 548 <diaPeptidePaths> |
| 508 </diaPeptidePaths> | 549 </diaPeptidePaths> |
| 545 <diaPermuteCcs>False</diaPermuteCcs> | 586 <diaPermuteCcs>False</diaPermuteCcs> |
| 546 <diaBackgroundSubtraction>False</diaBackgroundSubtraction> | 587 <diaBackgroundSubtraction>False</diaBackgroundSubtraction> |
| 547 <diaBackgroundSubtractionQuantile>0.5</diaBackgroundSubtractionQuantile> | 588 <diaBackgroundSubtractionQuantile>0.5</diaBackgroundSubtractionQuantile> |
| 548 <diaBackgroundSubtractionFactor>4</diaBackgroundSubtractionFactor> | 589 <diaBackgroundSubtractionFactor>4</diaBackgroundSubtractionFactor> |
| 549 <diaLfqWeightedMedian>False</diaLfqWeightedMedian> | 590 <diaLfqWeightedMedian>False</diaLfqWeightedMedian> |
| 591 <diaTransferQvalue>0.3</diaTransferQvalue> | |
| 592 <diaOnlyIsosForRecal>True</diaOnlyIsosForRecal> | |
| 593 <diaMinPeaksForRecal>5</diaMinPeaksForRecal> | |
| 594 <diaUseFragIntensForMl>False</diaUseFragIntensForMl> | |
| 595 <diaUseFragMassesForMl>False</diaUseFragMassesForMl> | |
| 596 <diaMaxTrainInstances>1000000</diaMaxTrainInstances> | |
| 550 </parameterGroup> | 597 </parameterGroup> |
| 551 </parameterGroups> | 598 </parameterGroups> |
| 552 <msmsParamsArray> | 599 <msmsParamsArray> |
| 553 <msmsParams> | 600 <msmsParams> |
| 554 <Name>FTMS</Name> | 601 <Name>FTMS</Name> |
| 555 <MatchTolerance>20</MatchTolerance> | 602 <MatchTolerance>20</MatchTolerance> |
| 556 <MatchToleranceInPpm>True</MatchToleranceInPpm> | 603 <MatchToleranceInPpm>True</MatchToleranceInPpm> |
| 557 <DeisotopeTolerance>7</DeisotopeTolerance> | 604 <DeisotopeTolerance>7</DeisotopeTolerance> |
| 558 <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm> | 605 <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm> |
| 559 <DeNovoTolerance>10</DeNovoTolerance> | 606 <DeNovoTolerance>25</DeNovoTolerance> |
| 560 <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm> | 607 <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm> |
| 561 <Deisotope>True</Deisotope> | 608 <Deisotope>True</Deisotope> |
| 562 <Topx>12</Topx> | 609 <Topx>12</Topx> |
| 563 <TopxInterval>100</TopxInterval> | 610 <TopxInterval>100</TopxInterval> |
| 564 <HigherCharges>True</HigherCharges> | 611 <HigherCharges>True</HigherCharges> |
| 571 <Name>ITMS</Name> | 618 <Name>ITMS</Name> |
| 572 <MatchTolerance>0.5</MatchTolerance> | 619 <MatchTolerance>0.5</MatchTolerance> |
| 573 <MatchToleranceInPpm>False</MatchToleranceInPpm> | 620 <MatchToleranceInPpm>False</MatchToleranceInPpm> |
| 574 <DeisotopeTolerance>0.15</DeisotopeTolerance> | 621 <DeisotopeTolerance>0.15</DeisotopeTolerance> |
| 575 <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> | 622 <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> |
| 576 <DeNovoTolerance>0.25</DeNovoTolerance> | 623 <DeNovoTolerance>0.5</DeNovoTolerance> |
| 577 <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> | 624 <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> |
| 578 <Deisotope>False</Deisotope> | 625 <Deisotope>False</Deisotope> |
| 579 <Topx>8</Topx> | 626 <Topx>8</Topx> |
| 580 <TopxInterval>100</TopxInterval> | 627 <TopxInterval>100</TopxInterval> |
| 581 <HigherCharges>True</HigherCharges> | 628 <HigherCharges>True</HigherCharges> |
| 588 <Name>TOF</Name> | 635 <Name>TOF</Name> |
| 589 <MatchTolerance>40</MatchTolerance> | 636 <MatchTolerance>40</MatchTolerance> |
| 590 <MatchToleranceInPpm>True</MatchToleranceInPpm> | 637 <MatchToleranceInPpm>True</MatchToleranceInPpm> |
| 591 <DeisotopeTolerance>0.01</DeisotopeTolerance> | 638 <DeisotopeTolerance>0.01</DeisotopeTolerance> |
| 592 <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> | 639 <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> |
| 593 <DeNovoTolerance>0.02</DeNovoTolerance> | 640 <DeNovoTolerance>25</DeNovoTolerance> |
| 594 <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> | 641 <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm> |
| 595 <Deisotope>True</Deisotope> | 642 <Deisotope>True</Deisotope> |
| 596 <Topx>10</Topx> | 643 <Topx>10</Topx> |
| 597 <TopxInterval>100</TopxInterval> | 644 <TopxInterval>100</TopxInterval> |
| 598 <HigherCharges>True</HigherCharges> | 645 <HigherCharges>True</HigherCharges> |
| 599 <IncludeWater>True</IncludeWater> | 646 <IncludeWater>True</IncludeWater> |
| 605 <Name>Unknown</Name> | 652 <Name>Unknown</Name> |
| 606 <MatchTolerance>20</MatchTolerance> | 653 <MatchTolerance>20</MatchTolerance> |
| 607 <MatchToleranceInPpm>True</MatchToleranceInPpm> | 654 <MatchToleranceInPpm>True</MatchToleranceInPpm> |
| 608 <DeisotopeTolerance>7</DeisotopeTolerance> | 655 <DeisotopeTolerance>7</DeisotopeTolerance> |
| 609 <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm> | 656 <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm> |
| 610 <DeNovoTolerance>10</DeNovoTolerance> | 657 <DeNovoTolerance>25</DeNovoTolerance> |
| 611 <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm> | 658 <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm> |
| 612 <Deisotope>True</Deisotope> | 659 <Deisotope>True</Deisotope> |
| 613 <Topx>12</Topx> | 660 <Topx>12</Topx> |
| 614 <TopxInterval>100</TopxInterval> | 661 <TopxInterval>100</TopxInterval> |
| 615 <HigherCharges>True</HigherCharges> | 662 <HigherCharges>True</HigherCharges> |