public CalculateDistribuition ( string chemicalFormula, int topNPeaks = int.MaxValue, Normalization normalization = Normalization.Sum ) : MZSpectrum | ||
chemicalFormula | string | |
topNPeaks | int | |
normalization | Normalization | |
return | MZSpectrum |
public MZSpectrum CalculateDistribuition(string chemicalFormula, int topNPeaks = int.MaxValue, Normalization normalization = Normalization.Sum)
{
return CalculateDistribuition(new ChemicalFormula(chemicalFormula), topNPeaks, normalization);
}
IsotopicDistribution::CalculateDistribuition ( ChemicalFormula formula, int topNPeaks = int.MaxValue, Normalization normalization = Normalization.Sum ) : MZSpectrum | |
IsotopicDistribution::CalculateDistribuition ( IChemicalFormula obj, int topNPeaks = int.MaxValue, Normalization normalization = Normalization.Sum ) : MZSpectrum |
public double[,] GetIsotopicDistribution(double resolution = 0.01, int numberOfIsotopes = int.MaxValue) { IsotopicDistribution id = new IsotopicDistribution(resolution); var spectrum = id.CalculateDistribuition(this, numberOfIsotopes, IsotopicDistribution.Normalization.BasePeak); return(spectrum.ToArray()); }