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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.
Protein database
Human + contaminants xml (downloaded from Swissprot)
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.
Protein database
Human + contaminants xml (downloaded from Swissprot)
Mass spectrometry file types
Thermo's .raw
Settings
TaskType = "Calibrate"
[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
Please provide a folder to upload the data. Data must stay private
Expected behavior for GUI
Nope
Screenshots
Provided the error msg
Desktop information
Additional context
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