public void CalculateIntensityForThisFeature(bool integrate)
{
if (IsotopicEnvelopes.Any())
{
double maxIntensity = IsotopicEnvelopes.Max(p => p.Intensity);
Apex = IsotopicEnvelopes.Where(p => p.Intensity == maxIntensity).First();
if (integrate)
{
Intensity = IsotopicEnvelopes.Sum(p => p.Intensity);
}
else
{
Intensity = Apex.Intensity;
}
MassError = Identifications.Min(p => ((ClassExtensions.ToMass(Apex.IndexedPeak.Mz, Apex.ChargeState) - p.monoisotopicMass) / p.monoisotopicMass) * 1e6);
NumChargeStatesObserved = IsotopicEnvelopes.Select(p => p.ChargeState).Distinct().Count();
}
else
{
Intensity = 0;
MassError = double.NaN;
NumChargeStatesObserved = 0;
Apex = null;
}
}
