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;
}
}
