public static double GetPrecursorPercentage(this PeakList <Peak> isolationPeaks, double ppmTolerance)
{
var defaultValue = 0.0;
if (isolationPeaks.Count == 0)
{
return(defaultValue);
}
//parentPkl.ForEach(m => Console.WriteLine("new Peak({0:0.0000},{1:0.0},{2}),",m.Mz, m.Intensity,m.Charge));
var totalIntensity = isolationPeaks.Sum(m => m.Intensity);
if (0.0 == totalIntensity)
{
throw new ArgumentException("There is no intensity information in argument isolationPeaks");
}
var precursorPeak = isolationPeaks.Precursor;
var mzTolerance = PrecursorUtils.ppm2mz(precursorPeak.MonoIsotopicMass, ppmTolerance);
if (precursorPeak.Charge == 0)
{
var pPeak = isolationPeaks.FindAll(m => Math.Abs(m.Mz - precursorPeak.MonoIsotopicMass) < mzTolerance);
if (0 == pPeak.Count)
{
return(defaultValue);
}
var maxIntensity = pPeak.Max(m => m.Intensity);
pPeak.Find(m => m.Intensity == maxIntensity).Tag = 1;
return(maxIntensity / totalIntensity);
}
else
{
var pPeak = isolationPeaks.FindEnvelope(precursorPeak.MonoIsotopicMass, precursorPeak.Charge, mzTolerance, true);
if (0 == pPeak.Count)
{
return(defaultValue);
}
for (int i = 0; i < pPeak.Count; i++)
{
pPeak[i].Tag = i + 1;
}
return(pPeak.GetTotalIntensity() / totalIntensity);
}
}
