diff --git a/MetaMorpheus/EngineLayer/Calibration/DataPointAquisitionResults.cs b/MetaMorpheus/EngineLayer/Calibration/DataPointAquisitionResults.cs index c17e32cf0..d22975a95 100644 --- a/MetaMorpheus/EngineLayer/Calibration/DataPointAquisitionResults.cs +++ b/MetaMorpheus/EngineLayer/Calibration/DataPointAquisitionResults.cs @@ -30,19 +30,9 @@ public DataPointAquisitionResults( var ms1Range = Ms1List.Select(b => b.ExperimentalMz - b.TheoreticalMz).ToArray(); var ms2Range = Ms2List.Select(b => b.ExperimentalMz - b.TheoreticalMz).ToArray(); - Ms1InfoTh = new Tuple(ArrayStatistics.Mean(ms1Range), ArrayStatistics.StandardDeviation(ms1Range)); - Ms2InfoTh = new Tuple(ArrayStatistics.Mean(ms2Range), ArrayStatistics.StandardDeviation(ms2Range)); - var ms1PpmRange = Ms1List.Select(b => (b.ExperimentalMz - b.TheoreticalMz) / b.TheoreticalMz).ToArray(); var ms2PpmRange = Ms2List.Select(b => (b.ExperimentalMz - b.TheoreticalMz) / b.TheoreticalMz).ToArray(); - Ms1InfoPpm = new Tuple(ArrayStatistics.Mean(ms1PpmRange), ArrayStatistics.StandardDeviation(ms1PpmRange)); - Ms2InfoPpm = new Tuple(ArrayStatistics.Mean(ms2PpmRange), ArrayStatistics.StandardDeviation(ms2PpmRange)); - - NumMs1MassChargeCombinationsConsidered = numMs1MassChargeCombinationsConsidered; - NumMs1MassChargeCombinationsThatAreIgnoredBecauseOfTooManyPeaks = numMs1MassChargeCombinationsThatAreIgnoredBecauseOfTooManyPeaks; - NumMs2MassChargeCombinationsConsidered = numMs2MassChargeCombinationsConsidered; - NumMs2MassChargeCombinationsThatAreIgnoredBecauseOfTooManyPeaks = numMs2MassChargeCombinationsThatAreIgnoredBecauseOfTooManyPeaks; var precursorErrors = psms.Select(p => (p.ScanPrecursorMass - p.BioPolymerWithSetModsMonoisotopicMass.Value) / p.BioPolymerWithSetModsMonoisotopicMass.Value * 1e6).ToList(); PsmPrecursorIqrPpmError = precursorErrors.InterquartileRange(); @@ -53,16 +43,6 @@ public DataPointAquisitionResults( PsmProductMedianPpmError = productErrors.Median(); } - public Tuple Ms1InfoTh { get; } - public Tuple Ms2InfoTh { get; } - public Tuple Ms1InfoPpm { get; } - public Tuple Ms2InfoPpm { get; } - - public int NumMs1MassChargeCombinationsConsidered { get; } - public int NumMs1MassChargeCombinationsThatAreIgnoredBecauseOfTooManyPeaks { get; } - public int NumMs2MassChargeCombinationsConsidered { get; } - public int NumMs2MassChargeCombinationsThatAreIgnoredBecauseOfTooManyPeaks { get; } - public List Ms1List { get; } public List Ms2List { get; } @@ -72,8 +52,6 @@ public DataPointAquisitionResults( public readonly double PsmProductIqrPpmError; public readonly List Psms; - public int Count { get { return Ms1List.Count + Ms2List.Count; } } - public override string ToString() { var sb = new StringBuilder();