public ISpectrum GetSpectrum(int scanNum)
{
double retention = GetRetentionTime(scanNum);
ISpectrum spectrum = new GeneralSpectrum(scanNum, retention);
string szFilter = "";
int pnScanNumber = scanNum;
int nIntensityCutoffType = 0;
int nIntensityCutoffValue = 0;
int nMaxNumberOfPeaks = 0;
int bCentroidResult = 0;
int pnArraySize = 0;
double pdCentroidPeakWidth = 0;
object pvarMassList = null;
object pvarPeakFlags = null;
rawConnect.GetMassListFromScanNum(ref pnScanNumber, szFilter, nIntensityCutoffType, nIntensityCutoffValue,
nMaxNumberOfPeaks, bCentroidResult, ref pdCentroidPeakWidth, ref pvarMassList, ref pvarPeakFlags, ref pnArraySize);
////construct peaks
double[,] value = (double[, ])pvarMassList;
for (int pn = 0; pn < pnArraySize; pn++)
{
double mass = value[0, pn];
double intensity = value[1, pn];
if (intensity > 0)
{
spectrum.Add(new GeneralPeak(mass, intensity));
}
}
return(spectrum);
}
public ISpectrum GetSpectrum(int scanNum)
{
try
{
if (reader.GetMSnOrder(scanNum) == 1)
{
GeneralSpectrum spectrum = new GeneralSpectrum(1, scanNum);
List <IPeak> peaks = reader.Read(scanNum);
spectrum.SetPeaks(peaks);
return(spectrum);
}
else
{
int msOrder = reader.GetMSnOrder(scanNum);
TypeOfMSActivation type = reader.GetActivation(scanNum);
double[] mzCharge = reader.GetParentMZCharge(scanNum);
ISpectrum spectrum = new GeneralSpectrumMSn(msOrder, scanNum, type, mzCharge[0], (int)mzCharge[1]);
List <IPeak> peaks = reader.Read(scanNum);
spectrum.SetPeaks(peaks);
return(spectrum);
}
}
catch (Exception e)
{
Console.WriteLine(e.Message);
return(null);
}
}
public ISpectrum GetSpectrum(int scanNum)
{
GeneralSpectrum spectrum = new GeneralSpectrum(1, scanNum);
List <IPeak> peaks = getter.GetPeaks(scanNum);
spectrum.SetPeaks(peaks);
return(spectrum);
}
