Mercurial > repos > jjohnson > peptideshaker
diff test-data/Identification_Parameters_specific.par @ 0:8b99cb00e1c4 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 3c83b8f8ca60d6399bc5dd7096b830ca1f1c457e-dirty
| author | jjohnson |
|---|---|
| date | Tue, 15 May 2018 14:50:35 -0400 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Identification_Parameters_specific.par Tue May 15 14:50:35 2018 -0400 @@ -0,0 +1,739 @@ +{ + "marshallableParameterType": "identification_parameters", + "name": "SEARCHGUI_IdentificationParameters", + "description": "Fixed: Carbamidomethylation of C.\nVariable: Oxidation of M.\nPrecursor Tolerance: 100.0 ppm.\nCharge: 1-3.\nDB: dataset_118.dat.\n", + "defaultDescription": true, + "searchParameters": { + "precursorAccuracyType": "PPM", + "fragmentAccuracyType": "DA", + "precursorTolerance": 100.0, + "precursorToleranceDalton": 0.5, + "fragmentIonMZTolerance": 0.5, + "ptmSettings": { + "fixedModifications": [ + "Carbamidomethylation of C" + ], + "variableModifications": [ + "Oxidation of M" + ], + "refinementVariableModifications": [], + "refinementFixedModifications": [], + "colors": {}, + "backUp": { + "Oxidation of M": { + "type": 0, + "name": "Oxidation of M", + "shortName": "ox", + "neutralLosses": [ + { + "composition": { + "atomChain": [ + { + "atomSymbol": "C", + "isotope": 0 + }, + { + "atomSymbol": "H", + "isotope": 0 + }, + { + "atomSymbol": "H", + "isotope": 0 + }, + { + "atomSymbol": "H", + "isotope": 0 + }, + { + "atomSymbol": "H", + "isotope": 0 + }, + { + "atomSymbol": "O", + "isotope": 0 + }, + { + "atomSymbol": "S", + "isotope": 0 + } + ], + "mass1": -1.0 + }, + "name": "CH4OS", + "fixed": false + } + ], + "reporterIons": [], + "pattern": { + "length": 0, + "residueTargeted": { + "0": [ + "M" + ] + } + }, + "atomChainAdded": { + "atomChain": [ + { + "atomSymbol": "O", + "isotope": 0 + } + ], + "mass1": -1.0 + }, + "cvTerm": { + "ontology": "UNIMOD", + "accession": "UNIMOD:35", + "name": "Oxidation" + } + }, + "Carbamidomethylation of C": { + "type": 0, + "name": "Carbamidomethylation of C", + "shortName": "cmm", + "neutralLosses": [], + "reporterIons": [], + "pattern": { + "length": 0, + "residueTargeted": { + "0": [ + "C" + ] + } + }, + "atomChainAdded": { + "atomChain": [ + { + "atomSymbol": "C", + "isotope": 0 + }, + { + "atomSymbol": "C", + "isotope": 0 + }, + { + "atomSymbol": "H", + "isotope": 0 + }, + { + "atomSymbol": "H", + "isotope": 0 + }, + { + "atomSymbol": "H", + "isotope": 0 + }, + { + "atomSymbol": "N", + "isotope": 0 + }, + { + "atomSymbol": "O", + "isotope": 0 + } + ], + "mass1": -1.0 + }, + "cvTerm": { + "ontology": "UNIMOD", + "accession": "UNIMOD:4", + "name": "Carbamidomethyl" + } + } + } + }, + "nMissedCleavages": 2, + "digestionPreferences": { + "cleavagePreference": "enzyme", + "enzymes": [ + { + "id": 0, + "name": "Trypsin", + "aminoAcidBefore": [], + "aminoAcidAfter": [], + "restrictionBefore": [], + "restrictionAfter": [], + "aminoAcidBeforeSet": [ + "R", + "K" + ], + "aminoAcidAfterSet": [], + "restrictionBeforeSet": [], + "restrictionAfterSet": [ + "P" + ], + "isSemiSpecific": false, + "isWholeProtein": false, + "cvTerm": { + "ontology": "PSI-MS", + "accession": "MS:1001251", + "name": "Trypsin" + } + } + ], + "nMissedCleavages": { + "Trypsin": 2 + }, + "specificity": { + "Trypsin": "specific" + } + }, + "fastaFile": { + "path": "./searchgui_tinydb1_concatenated_target_decoy.fasta" + }, + "parametersFile": {}, + "forwardIons": [ + 1 + ], + "rewindIons": [ + 4 + ], + "minChargeSearched": { + "sign": 1, + "value": 1 + }, + "maxChargeSearched": { + "sign": 1, + "value": 3 + }, + "minIsotopicCorrection": 0, + "maxIsotopicCorrection": 1, + "refMass": 2000.0, + "algorithmParameters": { + "1": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.OmssaParameters", + "data": { + "maxEValue": 100.0, + "hitListLength": 10, + "minimalChargeForMultipleChargedFragments": { + "sign": 1, + "value": 3 + }, + "minPeptideLength": 8, + "maxPeptideLength": 30, + "removePrecursor": false, + "scalePrecursor": true, + "estimateCharge": true, + "selectedOutput": "OMX", + "memoryMappedSequenceLibraries": false, + "numberOfItotopicPeaks": 0, + "neutronThreshold": 1446.94, + "lowIntensityCutOff": 0.0, + "highIntensityCutOff": 0.2, + "intensityCutOffIncrement": 5.0E-4, + "singleChargeWindow": 27, + "doubleChargeWindow": 14, + "nPeaksInSingleChargeWindow": 2, + "nPeaksInDoubleChargeWindow": 2, + "maxHitsPerSpectrumPerCharge": 30, + "nAnnotatedMostIntensePeaks": 6, + "minAnnotatedPeaks": 2, + "minPeaks": 4, + "cleaveNtermMethionine": true, + "maxMzLadders": 128, + "maxFragmentCharge": 2, + "fractionOfPeaksForChargeEstimation": 0.95, + "determineChargePlusOneAlgorithmically": true, + "searchPositiveIons": true, + "minPrecPerSpectrum": 1, + "searchForwardFragmentFirst": false, + "searchRewindFragments": true, + "maxFragmentPerSeries": 100, + "useCorrelationCorrectionScore": true, + "consecutiveIonProbability": 0.5, + "iterativeSequenceEvalue": 0.0, + "iterativeReplaceEvalue": 0.0, + "iterativeSpectrumEvalue": 0.01, + "noProlineRuleSeries": [], + "ptmIndexes": {} + } + }, + "2": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.XtandemParameters", + "data": { + "maxEValue": 0.01, + "outputResults": "0", + "dynamicRange": 100.0, + "nPeaks": 50, + "minPrecursorMass": 200.0, + "minFragmentMz": 200.0, + "minPeaksPerSpectrum": 15, + "proteinQuickAcetyl": true, + "quickPyrolidone": true, + "refine": true, + "refineSemi": false, + "refinePointMutations": false, + "refineSpectrumSynthesis": true, + "refineUnanticipatedCleavages": true, + "refineSnaps": true, + "maximumExpectationValueRefinement": 0.01, + "potentialModificationsForFullRefinment": false, + "skylinePath": "", + "outputProteins": true, + "outputSequences": false, + "outputSpectra": true, + "outputHistograms": false, + "stpBias": false, + "useNoiseSuppression": true, + "proteinPtmComplexity": 6.0 + } + }, + "3": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.PepnovoParameters", + "data": { + "hitListLength": 10, + "estimateCharge": true, + "correctPrecursorMass": false, + "discardLowQualitySpectra": true, + "fragmentationModel": "CID_IT_TRYP", + "generateQuery": false + } + }, + "4": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.AndromedaParameters", + "data": { + "maxPeptideMass": 4600.0, + "maxCombinations": 250, + "topPeaks": 8, + "topPeaksWindow": 100, + "includeWater": true, + "includeAmmonia": true, + "dependentLosses": true, + "fragmentAll": false, + "empiricalCorrection": true, + "higherCharge": true, + "fragmentationMethod": "CID", + "maxNumberOfModifications": 5, + "minPeptideLengthNoEnzyme": 8, + "maxPeptideLengthNoEnzyme": 25, + "equalIL": false, + "numberOfCandidates": 10, + "ptmIndexes": {}, + "decoyMode": "none" + } + }, + "5": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.MsAmandaParameters", + "data": { + "generateDecoy": false, + "instrumentID": "b, y", + "maxRank": 10, + "monoisotopic": true, + "lowMemoryMode": true + } + }, + "7": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.MsgfParameters", + "data": { + "searchDecoyDatabase": false, + "instrumentID": 3, + "fragmentationType": 3, + "protocol": 0, + "minPeptideLength": 8, + "maxPeptideLength": 30, + "numberOfSpectrumMarches": 10, + "additionalOutput": false, + "lowerIsotopeErrorRange": -1, + "upperIsotopeErrorRange": 2, + "numberTolerableTermini": 2, + "numberOfPtmsPerPeptide": 2 + } + }, + "8": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.DirecTagParameters", + "data": { + "ticCutoffPercentage": 100.0, + "maxPeakCount": 100, + "numIntensityClasses": 3, + "adjustPrecursorMass": false, + "minPrecursorAdjustment": -0.5, + "maxPrecursorAdjustment": 1.5, + "precursorAdjustmentStep": 0.1, + "numChargeStates": 3, + "outputSuffix": "", + "useChargeStateFromMS": true, + "duplicateSpectra": true, + "deisotopingMode": 0, + "isotopeMzTolerance": 0.25, + "complementMzTolerance": 0.1, + "tagLength": 4, + "maxDynamicMods": 2, + "maxTagCount": 10, + "intensityScoreWeight": 1.0, + "mzFidelityScoreWeight": 1.0, + "complementScoreWeight": 1.0, + "variablePtms": [] + } + }, + "10": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.CometParameters", + "data": { + "numberOfSpectrumMatches": 10, + "maxVariableMods": 10, + "requireVariableMods": false, + "minPeaks": 10, + "minPeakIntensity": 0.0, + "removePrecursor": 0, + "removePrecursorTolerance": 1.5, + "lowerClearMzRange": 0.0, + "upperClearMzRange": 0.0, + "enzymeType": 2, + "isotopeCorrection": 1, + "minPrecursorMass": 600.0, + "maxPrecursorMass": 5000.0, + "maxFragmentCharge": 3, + "removeMethionine": false, + "batchSize": 0, + "theoreticalFragmentIonsSumOnly": false, + "fragmentBinOffset": 0.0, + "useSparseMatrix": true, + "selectedOutputFormat": "PepXML", + "printExpectScore": true + } + }, + "27": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.PNovoParameters", + "data": { + "numberOfPeptides": 10, + "lowerPrecursorMass": 300, + "upperPrecursorMass": 5000, + "acticationType": "HCD" + } + }, + "28": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.TideParameters", + "data": { + "fastIndexFolderName": "fasta-index", + "maxVariablePtmsPerTypePerPeptide": 2, + "minPeptideLength": 6, + "maxPeptideLength": 30, + "minPrecursorMass": 200.0, + "maxPrecursorMass": 7200.0, + "decoyFormat": "none", + "keepTerminalAminoAcids": "NC", + "decoySeed": 1, + "outputFolderName": "crux-output", + "printPeptides": false, + "verbosity": 30, + "monoisotopicPrecursor": true, + "clipNtermMethionine": false, + "digestionType": "full-digest", + "computeSpScore": false, + "numberOfSpectrumMatches": 10, + "computeExactPValues": false, + "minSpectrumMz": 0.0, + "minSpectrumPeaks": 20, + "spectrumCharges": "all", + "removePrecursor": false, + "removePrecursorTolerance": 1.5, + "printProgressIndicatorSize": 1000, + "useFlankingPeaks": false, + "useNeutralLossPeaks": false, + "mzBinWidth": 0.02, + "mzBinOffset": 0.0, + "concatenateTargetDecoy": false, + "textOutput": true, + "sqtOutput": false, + "pepXmlOutput": false, + "mzidOutput": false, + "pinOutput": false, + "removeTempFolders": true + } + }, + "13": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.MyriMatchParameters", + "data": { + "minPeptideLength": 8, + "maxPeptideLength": 30, + "numberOfSpectrumMatches": 10, + "ticCutoffPercentage": 0.98, + "maxDynamicMods": 2, + "minTerminiCleavages": 2, + "minPrecursorMass": 600.0, + "maxPrecursorMass": 5000.0, + "useSmartPlusThreeModel": true, + "computeXCorr": false, + "numIntensityClasses": 3, + "classSizeMultiplier": 2, + "numberOfBatches": 50, + "lowerIsotopeCorrection": -1, + "upperIsotopeCorrection": 2, + "fragmentationRule": "CID", + "maxPeakCount": 300, + "outputFormat": "mzIdentML" + } + }, + "29": { + "type": "com.compomics.util.experiment.identification.identification_parameters.tool_specific.NovorParameters", + "data": { + "fragmentationMethod": "HCD", + "massAnalyzer": "FT" + } + } + } + }, + "annotationSettings": { + "yAxisZoomExcludesBackgroundPeaks": true, + "showAllPeaks": false, + "intensityThresholdType": "percentile", + "intensityLimit": 0.75, + "automaticAnnotation": true, + "selectedIonsMap": { + "TAG_FRAGMENT_ION": [ + 4, + 1 + ], + "REPORTER_ION": [], + "RELATED_ION": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7, + 8, + 9, + 10, + 11, + 12, + 13, + 14, + 15, + 16, + 17, + 18 + ], + "PEPTIDE_FRAGMENT_ION": [ + 4, + 1 + ], + "PRECURSOR_ION": [ + 0 + ], + "IMMONIUM_ION": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7, + 8, + 9, + 10, + 11, + 12, + 13, + 14, + 15, + 16, + 17, + 18, + 19, + 20 + ] + }, + "neutralLossesList": [ + { + "composition": { + "atomChain": [ + { + 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-1.0 + }, + "name": "CH4OS", + "fixed": false + } + ], + "neutralLossesAuto": true, + "reporterIons": true, + "relatedIons": true, + "fragmentIonAccuracy": 0.5, + "fragmentIonPpm": false, + "showForwardIonDeNovoTags": false, + "showRewindIonDeNovoTags": false, + "deNovoCharge": 1, + "highResolutionAnnotation": true, + "tiesResolution": "mostAccurateMz" + }, + "sequenceMatchingPreferences": { + "sequenceMatchingType": "indistiguishableAminoAcids", + "limitX": 0.25, + "peptideMapperType": "fm_index" + }, + "peptideVariantsPreferences": { + "useSpecificCount": false, + "nVariants": 0, + "nAaDeletions": 0, + "nAaInsertions": 0, + "nAaSubstitutions": 0, + "nAaSwap": 0, + "aaSubstitutionMatrix": { + "name": "No Substitution", + "description": "No substitution", + "substitutions": {}, + "reverseMap": {} + } + }, + "genePreferences": { + "autoUpdate": false, + "useGeneMapping": false + }, + "psmScoringPreferences": { + "spectrumMatchingScores": { + "8": [ + 1 + ], + "3": [ + 1 + ], + "27": [ + 1 + ] + }, + "defaultScores": [ + -1 + ], + "minDecoysInBin": 10 + }, + "peptideAssumptionFilter": { + "minPepLength": 8, + "maxPepLength": 30, + "maxMassDeviation": 10.0, + "isPpm": true, + "unknownPtm": true, + "minIsotopes": 0, + "maxIsotopes": 1 + }, + "ptmScoringPreferences": { + "flr": 1.0, + "probabilitsticScoreCalculation": true, + "selectedProbabilisticScore": "PhosphoRS", + "estimateFlr": false, + "probabilisticScoreThreshold": 95.0, + "probabilisticScoreNeutralLosses": false, + "sequenceMatchingPreferences": { + "sequenceMatchingType": "aminoAcid", + "limitX": 0.25, + "peptideMapperType": "fm_index" + }, + "alignNonConfidentPTMs": true + }, + "proteinInferencePreferences": { + "proteinSequenceDatabase": { + "path": "./searchgui_tinydb1_concatenated_target_decoy.fasta" + }, + "simplifyProteinGroups": true, + "simplifyGroupsScore": true, + "simplifyGroupsEvidence": true, + "simplifyGroupsEnzymaticity": true, + "simplifyGroupsUncharacterized": true + }, + "idValidationPreferences": { + "defaultProteinFDR": 1.0, + "defaultPeptideFDR": 1.0, + "defaultPsmFDR": 1.0, + "separatePeptides": true, + "separatePsms": true, + "mergeSmallSubgroups": true, + "validationQCPreferences": { + "dbSize": false, + "firstDecoy": true, + "confidenceMargin": 1.0 + } + }, + "fractionSettings": { + "proteinConfidenceMwPlots": 95.0, + "fractionMolecularWeightRanges": {} + } +}
