public void Run()
{
ThermoRawSearchRunSpectrum specRunner = new ThermoRawSearchRunSpectrum();
specRunner.Run(@"C:\Users\iruiz\Downloads\ZC_20171218_H95_R1.raw");
//specRunner.Run(@"C:\Users\rz20\Downloads\ZC_20171218_H95_R1.raw");
ISpectrum spectrum = specRunner.GetSpectrum(7859);
ISpectrumMSn msnSpectrum = specRunner.GetSpectrum(7861) as ISpectrumMSn;
IMonoMassSpectrumRun monoRunner = new BinSearchMonoMassSpectrumRun();
monoRunner.SetMS1Spectrum(spectrum);
monoRunner.Run(msnSpectrum);
Console.WriteLine(monoRunner.GetIsotopic());
//ISpectrumProcessing processor = new GeneralPeakPickingSpectrumProcessing();
////processor.Process(spectrum);
//int charge = 4;
//double Hydrogen = 1.0078;
//int indx = PreciseMatch(1198.48413085938, Find(1198.48413085938, peaks, 10), peaks);
//double ppm = UtilMass.Instance.CalcPPM(peaks[indx].GetMZ(), 1198.48413085938);
//Console.WriteLine(ppm);
//Console.WriteLine(peaks[indx].GetIntensity());
//double mz = peaks[indx].GetMZ();
//Console.WriteLine(peaks[FindMassPeak(mz - Hydrogen/charge, peaks, 5)].GetMZ());
//Console.WriteLine(peaks[FindMassPeak(mz - Hydrogen/charge * 2, peaks, 5)].GetMZ());
//Console.WriteLine(peaks[FindMassPeak(mz - Hydrogen/charge * 3, peaks, 5)].GetMZ());
Console.Read();
}
