public RTPeak(MZPeak peak, double RT)
{
this._intensity = peak.Intensity;
this._mz = peak.MZ;
this._rt = RT;
this.Peak = peak;
ThermoMzPeak labelPeak = ((ThermoMzPeak)peak);
this.charge = labelPeak.Charge;
this.Sn = labelPeak.GetSignalToNoise();
}
public double GetPrecusorMz(int spectrumNumber, double searchMZ, int msnOrder = 2)
{
int parentScanNumber = GetParentSpectrumNumber(spectrumNumber);
var ms1Scan = GetSpectrum(parentScanNumber);
MZPeak peak = ms1Scan.GetClosestPeak(MassRange.FromDa(searchMZ, 50));
if (peak != null)
{
return(peak.MZ);
}
return(double.NaN);
}
public void AddExperimentPeak(MZPeak peak, double RT)
{
var newRTPeak = new RTPeak(peak, RT);
XICExperiment.Add(newRTPeak);
}
public void AddLibraryPeak(MZPeak peak, double RT)
{
var newRTPeak = new RTPeak(peak, RT);
XICLibrary.Add(newRTPeak);
}
