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); }