public virtual void AddSelectedChromPeakAndScanSet(ChromPeak bestPeak, ScanSet scanset, Globals.IsotopicProfileType isotopicProfileType = Globals.IsotopicProfileType.UNLABELLED) { if (isotopicProfileType == Globals.IsotopicProfileType.UNLABELLED) { ChromPeakSelected = bestPeak; ScanSet = scanset; if (ScanSet != null) { NumMSScansSummed = ScanSet.IndexValues.Count; } var failedChromPeakSelection = (ChromPeakSelected == null || ChromPeakSelected.XValue == 0); if (failedChromPeakSelection) { FailedResult = true; FailureType = Globals.TargetedResultFailureType.ChrompeakNotFoundWithinTolerances; } else { FailedResult = false; FailureType = Globals.TargetedResultFailureType.None; } } else { throw new NotSupportedException("Cannot add data for a labeled result in this base class"); } }
public ChromPeakQualityData(ChromPeak peak) { this.InterferenceScore = 1; // worst possible this.FitScore = 1; // worst possible this.Abundance = 0; this.Peak = peak; this.IsotopicProfileFound = false; this.IsIsotopicProfileFlagged = false; }
public override void AddSelectedChromPeakAndScanSet(ChromPeak bestPeak, ScanSet scanset, Globals.IsotopicProfileType isotopicProfileType) { //if result was not previously processed, will do a standard add of selected chrom peak and scanset //if result was previously processed, add new data to the Labelled results if (isotopicProfileType == Globals.IsotopicProfileType.UNLABELLED) { base.AddSelectedChromPeakAndScanSet(bestPeak, scanset, isotopicProfileType); } else { ChromPeakSelectedN15 = bestPeak; ScanSetForN15Profile = scanset; } }