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PeakPickerMaxima.h
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34 
35 #ifndef OPENMS_TRANSFORMATIONS_RAW2PEAK_PEAKPICKERMAXIMA_H
36 #define OPENMS_TRANSFORMATIONS_RAW2PEAK_PEAKPICKERMAXIMA_H
37 
38 #include <OpenMS/config.h>
39 #include <vector>
40 
41 namespace OpenMS
42 {
43 
67  class OPENMS_DLLAPI PeakPickerMaxima
68  {
69 public:
70 
72  PeakPickerMaxima(double signal_to_noise, double spacing_difference = 1.5, double sn_window_length = 200);
73 
75  virtual ~PeakPickerMaxima() {}
76 
85  struct OPENMS_DLLAPI PeakCandidate
86  {
88  int pos;
94  double mz_max;
96  double int_max;
97  };
98 
112  void findMaxima(const std::vector<double>& mz_array, const std::vector<double>& int_array, std::vector<PeakCandidate>& pc);
113 
125  void pick(std::vector<double>& mz_array, std::vector<double>& int_array, std::vector<PeakCandidate>& pc);
126 
127 protected:
128  // signal-to-noise parameter
130 
131  // maximal spacing difference
133 
135 
136  }; // end PeakPickerMaxima
137 
138 } // namespace OpenMS
139 
140 #endif
double int_max
intensity value of the peak apex
Definition: PeakPickerMaxima.h:96
int pos
index of the peak apex (relative to the input data)
Definition: PeakPickerMaxima.h:88
double mz_max
m/z value of the peak apex
Definition: PeakPickerMaxima.h:94
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
double sn_window_length_
Definition: PeakPickerMaxima.h:134
double spacing_difference_
Definition: PeakPickerMaxima.h:132
double signal_to_noise_
Definition: PeakPickerMaxima.h:129
int left_boundary
index of the left boundary (relative to the input data)
Definition: PeakPickerMaxima.h:90
virtual ~PeakPickerMaxima()
Destructor.
Definition: PeakPickerMaxima.h:75
This class implements a fast peak-picking algorithm best suited for high resolution MS data (FT-ICR-M...
Definition: PeakPickerMaxima.h:67
The PeakCandidate describes the output of the peak picker.
Definition: PeakPickerMaxima.h:85
int right_boundary
index of the right boundary (relative to the input data)
Definition: PeakPickerMaxima.h:92

OpenMS / TOPP release 2.0.0 Documentation generated on Fri May 29 2015 17:20:28 using doxygen 1.8.9.1