public Xic GetProductExtractedIonChromatogram(double minMz, double maxMz, double precursorIonMz) { var xic = new Xic(); foreach (var isolationWindow in GetIsoWindows(precursorIonMz)) { var peakList = _isoWindowToChromPeaks[isolationWindow]; xic.AddRange(GetXicPointsWithin(minMz, maxMz, peakList)); } xic.Sort(); return Xic.GetSelectedXic(xic); }
public Xic GetProductExtractedIonChromatogram(double minMz, double maxMz, double precursorIonMz) { var xic = new Xic(); foreach (var isolationWindow in GetIsoWindows(precursorIonMz)) { var peakList = _isoWindowToChromPeaks[isolationWindow]; xic.AddRange(GetXicPointsWithin(minMz, maxMz, peakList)); } xic.Sort(); return(Xic.GetSelectedXic(xic)); }
public new Xic GetFullProductExtractedIonChromatogram(double minMz, double maxMz, double precursorIonMz) { var xic = GetProductExtractedIonChromatogram(minMz, maxMz, precursorIonMz); var scanToXicPoint = new XicPoint[MaxLcScan - MinLcScan + 1]; foreach (var xicPoint in xic) { scanToXicPoint[xicPoint.ScanNum - MinLcScan] = xicPoint; } var newXic = new Xic(); newXic.AddRange(GetFragmentationSpectraScanNums(precursorIonMz).Select(scanNum => scanToXicPoint[scanNum - MinLcScan] ?? new XicPoint(scanNum, 0, 0))); return(newXic); }
public new Xic GetFullProductExtractedIonChromatogram(double minMz, double maxMz, double precursorIonMz) { var xic = GetProductExtractedIonChromatogram(minMz, maxMz, precursorIonMz); var scanToXicPoint = new XicPoint[MaxLcScan - MinLcScan + 1]; foreach (var xicPoint in xic) scanToXicPoint[xicPoint.ScanNum - MinLcScan] = xicPoint; var newXic = new Xic(); newXic.AddRange(GetFragmentationSpectraScanNums(precursorIonMz).Select(scanNum => scanToXicPoint[scanNum - MinLcScan] ?? new XicPoint(scanNum, 0, 0))); return newXic; }