public Peak GetChromPeakForGivenSource(MSPeakResult peakResult)
{
if (PeakDataIsNullOrEmpty)
{
return(null);
}
double averagePeakWidth = PeakList.Average(p => p.Width);
var peakWidthSigma = averagePeakWidth / 2.35; // width@half-height = 2.35σ (Gaussian peak theory)
var fourSigma = 4 * peakWidthSigma;
return(GetChromPeakForGivenSource(peakResult, fourSigma));
}
public Peak GetChromPeakForGivenSource(MSPeakResult peakResult, double scanTolerance)
{
if (PeakDataIsNullOrEmpty)
{
return(null);
}
var peakQuery = (from n in PeakList where Math.Abs(n.XValue - peakResult.Scan_num) <= scanTolerance select n).ToList();
var peaksWithinTol = peakQuery.Count;
if (peaksWithinTol == 0)
{
return(null);
}
var sortedPeaks = peakQuery.OrderByDescending(p => p.Height);
return(sortedPeaks.First());
}
public void FillMSPeakResults()
{
if (this.Run is UIMFRun)
{
var uimfrun = (UIMFRun)Run;
foreach (MSPeak peak in this.Run.PeakList)
{
PeakCounter++;
var peakResult = new MSPeakResult(PeakCounter, uimfrun.CurrentScanSet.PrimaryScanNumber,
uimfrun.CurrentIMSScanSet.PrimaryScanNumber, peak);
this.MSPeakResultList.Add(peakResult);
}
}
else
{
foreach (MSPeak peak in this.Run.PeakList)
{
PeakCounter++;
var peakResult = new MSPeakResult(PeakCounter, this.Run.CurrentScanSet.PrimaryScanNumber, peak);
this.MSPeakResultList.Add(peakResult);
}
}
}
