private MSPeak convertDeconPeakToMSPeak(DeconToolsV2.Peaks.clsPeak monoPeak)
{
MSPeak peak = new MSPeak();
peak.XValue = monoPeak.mdbl_mz;
peak.Width = (float)monoPeak.mdbl_FWHM;
peak.SignalToNoise = (float)monoPeak.mdbl_SN;
peak.Height = (int)monoPeak.mdbl_intensity;
return(peak);
}
private void GetIsotopicProfilePeaks(DeconToolsV2.Peaks.clsPeak[] peaklist, int chargeState, double monoMZ, ref IsotopicProfile profile)
{
profile.Peaklist = new List <MSPeak>();
double mzVar = 0.01; // TODO: find a more accurate way of defining the mz variability
DeconToolsV2.Peaks.clsPeak monoPeak = lookupPeak(monoMZ, peaklist, mzVar);
if (monoPeak != null)
{
MSPeak mspeak = convertDeconPeakToMSPeak(monoPeak);
profile.Peaklist.Add(mspeak);
return;
}
}
public void ApplyFilter()
{
float[] xData = _msScan.RawMZs;
float[] yData = _msScan.RawIntensities;
DeconToolsV2.Peaks.clsPeakProcessor peakProcessor = new DeconToolsV2.Peaks.clsPeakProcessor();
DeconToolsV2.Peaks.clsPeakProcessorParameters parameters = new DeconToolsV2.Peaks.clsPeakProcessorParameters();
parameters.PeakBackgroundRatio = PeakToBackgroundRatio;
parameters.SignalToNoiseThreshold = SignalToNoiseThreshold;
parameters.PeakFitType = DeconToolsV2.Peaks.PEAK_FIT_TYPE.QUADRATIC;
peakProcessor.SetOptions(parameters);
DeconToolsV2.Peaks.clsPeak[] peakList = new DeconToolsV2.Peaks.clsPeak[1];
peakProcessor.DiscoverPeaks(ref xData, ref yData, ref peakList, 0, float.MaxValue);
float[] mz = new float[peakList.Length];
float[] intensity = new float[peakList.Length];
for (int i = 0; i < peakList.Length; i++)
{
mz[i] = Convert.ToSingle(peakList[i].mdbl_mz);
intensity[i] = Convert.ToSingle(peakList[i].mdbl_intensity);
}
_msScan.MZs = mz;
_msScan.Intensities = intensity;
}
public void ApplyFilter()
{
float[] xData = _msScan.RawMZs;
float[] yData = _msScan.RawIntensities;
DeconToolsV2.Peaks.clsPeakProcessor peakProcessor = new DeconToolsV2.Peaks.clsPeakProcessor();
DeconToolsV2.Peaks.clsPeakProcessorParameters parameters = new DeconToolsV2.Peaks.clsPeakProcessorParameters();
parameters.PeakBackgroundRatio = PeakToBackgroundRatio;
parameters.SignalToNoiseThreshold = SignalToNoiseThreshold;
parameters.PeakFitType = DeconToolsV2.Peaks.PEAK_FIT_TYPE.QUADRATIC;
peakProcessor.SetOptions(parameters);
DeconToolsV2.Peaks.clsPeak[] peakList = new DeconToolsV2.Peaks.clsPeak[1];
peakProcessor.DiscoverPeaks(ref xData, ref yData, ref peakList, 0, float.MaxValue);
float[] mz = new float[peakList.Length];
float[] intensity = new float[peakList.Length];
for (int i = 0; i < peakList.Length; i++)
{
mz[i] = Convert.ToSingle(peakList[i].mdbl_mz);
intensity[i] = Convert.ToSingle(peakList[i].mdbl_intensity);
}
_msScan.MZs = mz;
_msScan.Intensities = intensity;
}
