private static ChromatographicPeak GetPeakClosestToRT(IList<ChromatographicPeak> chromPeakList, double targetRT)
{
bool foundPeak = false;
ChromatographicPeak targetPeak = new ChromatographicPeak(0, 0, 0, 0);
foreach (ChromatographicPeak peak in chromPeakList)
{
if (Math.Abs(peak.Rt - targetRT) < Math.Abs(targetPeak.Rt - targetRT))
{
targetPeak = peak;
foundPeak = true;
}
}
if (foundPeak)
{
return targetPeak;
}
else
{
return null;
}
}
private static ChromatographicPeak ConvertDeconPeakToChromatographicPeak(Decon2LS.Peaks.clsPeak peak)
{
ChromatographicPeak chromatographicPeak = new ChromatographicPeak();
chromatographicPeak.PeakArea = 0;
chromatographicPeak.PeakHeight = peak.mdbl_intensity;
chromatographicPeak.PeakWidth = peak.mdbl_FWHM;
chromatographicPeak.Rt = peak.mdbl_mz;
return chromatographicPeak;
}
private static ChromatographicPeak FindLargestPeak(IList<ChromatographicPeak> chromPeakList)
{
bool foundPeak = false;
ChromatographicPeak targetPeak = new ChromatographicPeak(0, 0, 0, 0);
foreach (ChromatographicPeak peak in chromPeakList)
{
if (peak.PeakArea > targetPeak.PeakArea)
{
targetPeak = peak;
foundPeak = true;
}
// this is a bit of a hack; DeconTools doesn't report a PeakArea so must use peakHeight
if (peak.PeakArea == 0 && peak.PeakHeight > 0 && peak.PeakWidth > 0)
{
if (peak.PeakHeight > targetPeak.PeakHeight)
{
targetPeak = peak;
foundPeak = true;
}
}
}
if (foundPeak)
{
return targetPeak;
}
else
{
return null;
}
}
