smith-chem-wisc / MetaMorpheus

Proteomics search software with integrated calibration, PTM discovery, bottom-up, top-down and LFQ capabilities
MIT License
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Getting an "Arithmetic operation resulted in an overflow" error when calibrating the data #2287

Open MKatWIS opened 1 year ago

MKatWIS commented 1 year ago

Describing the issue Am trying to run MM v1.0.2 on a set 24 raw data files. It gets stuck after calibrating 3 files

Reproducing the error One or more errors occurred. (Error reading scan 98341: Error while retrieving centroid peaks for 98341. Arithmetic operation resulted in an overflow.)e.InnerException: MzLibUtil.MzLibException: Error reading scan 98341: Error while retrieving centroid peaks for 98341. Arithmetic operation resulted in an overflow.

[CalibrationParameters] WriteIntermediateFiles = false WriteIndexedMzml = true MinMS1IsotopicPeaksNeededForConfirmedIdentification = 3 MinMS2IsotopicPeaksNeededForConfirmedIdentification = 2 NumFragmentsNeededForEveryIdentification = 10

[CommonParameters] TaskDescriptor = "CalibrateTask" MaxThreadsToUsePerFile = 25 ListOfModsFixed = "Common Fixed\tCarbamidomethyl on C\t\tCommon Fixed\tCarbamidomethyl on U" ListOfModsVariable = "Common Variable\tOxidation on M" DoPrecursorDeconvolution = true UseProvidedPrecursorInfo = true DeconvolutionIntensityRatio = 3.0 DeconvolutionMaxAssumedChargeState = 12 DeconvolutionMassTolerance = "±4.0000 PPM" TotalPartitions = 1 ProductMassTolerance = "±25.0000 PPM" PrecursorMassTolerance = "±15.0000 PPM" AddCompIons = false ScoreCutoff = 5.0 ReportAllAmbiguity = true NumberOfPeaksToKeepPerWindow = 200 MinimumAllowedIntensityRatioToBasePeak = 0.01 NormalizePeaksAccrossAllWindows = false TrimMs1Peaks = false TrimMsMsPeaks = true UseDeltaScore = false QValueOutputFilter = 1.0 PepQValueOutputFilter = 1.0 CustomIons = [] AssumeOrphanPeaksAreZ1Fragments = true MaxHeterozygousVariants = 4 MinVariantDepth = 1 AddTruncations = false DissociationType = "HCD" SeparationType = "HPLC" MS2ChildScanDissociationType = "Unknown" MS3ChildScanDissociationType = "Unknown"

[CommonParameters.DigestionParams] MaxMissedCleavages = 2 InitiatorMethionineBehavior = "Variable" MinPeptideLength = 7 MaxPeptideLength = 2147483647 MaxModificationIsoforms = 1024 MaxModsForPeptide = 2 Protease = "trypsin" SearchModeType = "Full" FragmentationTerminus = "Both" SpecificProtease = "trypsin" GeneratehUnlabeledProteinsForSilac = true KeepNGlycopeptide = false KeepOGlycopeptide = false

Expected behavior for GUI Nope

Screenshots Provided the error msg

Desktop information

Additional context