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delete unused code in DataPointAcquisitionResults
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trishorts committed Oct 14, 2024
1 parent 8179fcc commit 0b74ba6
Showing 1 changed file with 0 additions and 22 deletions.
22 changes: 0 additions & 22 deletions MetaMorpheus/EngineLayer/Calibration/DataPointAquisitionResults.cs
Original file line number Diff line number Diff line change
Expand Up @@ -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<double, double>(ArrayStatistics.Mean(ms1Range), ArrayStatistics.StandardDeviation(ms1Range));
Ms2InfoTh = new Tuple<double, double>(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<double, double>(ArrayStatistics.Mean(ms1PpmRange), ArrayStatistics.StandardDeviation(ms1PpmRange));
Ms2InfoPpm = new Tuple<double, double>(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();
Expand All @@ -53,16 +43,6 @@ public DataPointAquisitionResults(
PsmProductMedianPpmError = productErrors.Median();
}

public Tuple<double, double> Ms1InfoTh { get; }
public Tuple<double, double> Ms2InfoTh { get; }
public Tuple<double, double> Ms1InfoPpm { get; }
public Tuple<double, double> Ms2InfoPpm { get; }

public int NumMs1MassChargeCombinationsConsidered { get; }
public int NumMs1MassChargeCombinationsThatAreIgnoredBecauseOfTooManyPeaks { get; }
public int NumMs2MassChargeCombinationsConsidered { get; }
public int NumMs2MassChargeCombinationsThatAreIgnoredBecauseOfTooManyPeaks { get; }

public List<LabeledDataPoint> Ms1List { get; }
public List<LabeledDataPoint> Ms2List { get; }

Expand All @@ -72,8 +52,6 @@ public DataPointAquisitionResults(
public readonly double PsmProductIqrPpmError;
public readonly List<SpectralMatch> Psms;

public int Count { get { return Ms1List.Count + Ms2List.Count; } }

public override string ToString()
{
var sb = new StringBuilder();
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