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 void Run(string fileName)
{
spectrumReader.Init();
spectrumReader.Read(fileName);
firstScanNum = spectrumReader.GetFirstScan();
lastScanNum = spectrumReader.GetLastScan();
}