35 #ifndef OPENMS_TRANSFORMATIONS_RAW2PEAK_PEAKPICKERSH_H 
   36 #define OPENMS_TRANSFORMATIONS_RAW2PEAK_PEAKPICKERSH_H 
   43 #define DEBUG_PEAK_PICKING 
   44 #undef DEBUG_PEAK_PICKING 
   60     template <
typename PeakType>
 
   64       double cm, toti, min_dh;
 
   67       std::vector<double> masses, intens;
 
   71       for (
Size k = 0; 
k < input.size() - 1; ++
k)
 
   76         if (input[
k].getIntensity() >= 50.0)
 
   78           masses.push_back(input[
k].getMZ());
 
   79           intens.push_back(input[
k].getIntensity());
 
   84       hw = fWindowWidth / 2;
 
   86       for (i = 2; i < (int)masses.size() - 2; i++)
 
   90         if (intens[i] > min_dh && intens[i] > intens[i - 1] + min_dh && intens[i] >= intens[i + 1] && intens[i - 1] > intens[i - 2] + min_dh && intens[i + 1] >= intens[i + 2])
 
   96           for (j = -hw; j <= hw; j++)
 
   98             double inte = intens[i - j];
 
   99             double mz = masses[i - j];
 
  102             toti += (
double) intens[i - j];
 
  109           output.push_back(peak);
 
A 2-dimensional raw data point or peak. 
Definition: Peak2D.h:55
void setMZ(CoordinateType coordinate)
Mutable access to the m/z coordinate (index 1) 
Definition: Peak2D.h:197
Definition: PeakPickerSH.h:48
void setIntensity(IntensityType intensity)
Non-mutable access to the data point intensity (height) 
Definition: Peak2D.h:167
Representation of a mass spectrometry experiment. 
Definition: MSExperiment.h:68
size_t Size
Size type e.g. used as variable which can hold result of size() 
Definition: Types.h:144
Base class for all classes that want to report their progess. 
Definition: ProgressLogger.h:56
A base class for all classes handling default parameters. 
Definition: DefaultParamHandler.h:90
void pick(const MSSpectrum< PeakType > &input, MSSpectrum< PeakType > &output, float fWindowWidth)
Picks peaks in one spectrum. 
Definition: PeakPickerSH.h:61