Exemplo n.º 1
0
        public void test2()
        {
            string path = @"C:\Users\Rui Zhang\Downloads\Serum_1_C18_03292019_Ali.raw";

            ISpectrumReader reader = new ThermoRawSpectrumReader();

            reader.Init(path);
            RidgeLineFinder coeffMatrix = new RidgeLineFinder(1.0, 2, 1, 2);
            IProcess        processer   = new PeakPickingCWT(coeffMatrix);

            //for (int i = reader.GetFirstScan(); i < reader.GetLastScan(); i++)
            int i = 347;
            {
                if (reader.GetMSnOrder(i) < 2)
                {
                    ISpectrum    spectrum = reader.GetSpectrum(i);
                    List <IPeak> peaks    = spectrum.GetPeaks();
                    spectrum = processer.Process(spectrum);

                    IAreaCalculator    calculator     = new TrapezoidalRule();
                    IBounder           bounder        = new PerpendicularDrop();
                    PeakAreaCalculator areaCalculator = new PeakAreaCalculator(calculator, bounder);
                    areaCalculator.Init(peaks);

                    foreach (IPeak peak in spectrum.GetPeaks())
                    {
                        Console.WriteLine(peak.GetMZ() + " : " + areaCalculator.Area(peak).ToString());
                    }
                }
            }
        }
Exemplo n.º 2
0
        public void test2()
        {
            string path = @"C:\Users\Rui Zhang\Downloads\Serum_1_C18_03292019_Ali.raw";

            ISpectrumReader reader = new ThermoRawSpectrumReader();

            reader.Init(path);
            RidgeLineFinder coeffMatrix = new RidgeLineFinder(1.0, 2, 1, 2);
            IProcess        processer   = new PeakPickingCWT(coeffMatrix);

            //for (int i = reader.GetFirstScan(); i < reader.GetLastScan(); i++)
            int i = 342;
            {
                if (reader.GetMSnOrder(i) < 2)
                {
                    ISpectrum spectrum = reader.GetSpectrum(i);
                    spectrum = processer.Process(spectrum);
                    foreach (var peak in spectrum.GetPeaks())
                    {
                        Console.WriteLine(peak.GetMZ().ToString() + ": " + peak.GetIntensity().ToString());
                    }
                }
            }
        }