OpenMS  3.0.0
PeakPickerMaxima.h
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31 // $Maintainer: Hannes Roest $
32 // $Authors: Hannes Roest $
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34 
35 #pragma once
36 
37 #include <OpenMS/config.h>
38 #include <vector>
39 
40 namespace OpenMS
41 {
42 
66  class OPENMS_DLLAPI PeakPickerMaxima
67  {
68 public:
69 
71  PeakPickerMaxima(double signal_to_noise, double spacing_difference = 1.5,
72  double spacing_difference_gap = 4.0, double sn_window_length = 200,
73  unsigned missing = 2);
74 
76  virtual ~PeakPickerMaxima() {}
77 
86  struct OPENMS_DLLAPI PeakCandidate
87  {
89  int pos;
95  double mz_max;
97  double int_max;
98  };
99 
114  void findMaxima(const std::vector<double>& mz_array,
115  const std::vector<double>& int_array,
116  std::vector<PeakCandidate>& pc,
117  bool check_spacings = true) const;
118 
131  void pick(std::vector<double>& mz_array,
132  std::vector<double>& int_array,
133  std::vector<PeakCandidate>& pc,
134  bool check_spacings = true);
135 
136 protected:
137 
138  // signal-to-noise parameter
140 
141  // signal-to-noise window length
143 
144  // maximal spacing difference defining a missing data point
146 
147  // maximal spacing difference defining a large gap
149 
150  // maximum number of missing points
151  unsigned missing_;
152 
153  }; // end PeakPickerMaxima
154 
155 } // namespace OpenMS
156 
OpenMS::PeakPickerMaxima::PeakCandidate::pos
int pos
index of the peak apex (relative to the input data)
Definition: PeakPickerMaxima.h:89
OpenMS::PeakPickerMaxima::missing_
unsigned missing_
Definition: PeakPickerMaxima.h:151
OpenMS::PeakPickerMaxima::PeakCandidate::left_boundary
int left_boundary
index of the left boundary (relative to the input data)
Definition: PeakPickerMaxima.h:91
OpenMS::PeakPickerMaxima
This class implements a fast peak-picking algorithm best suited for high resolution MS data (FT-ICR-M...
Definition: PeakPickerMaxima.h:66
OpenMS::PeakPickerMaxima::sn_window_length_
double sn_window_length_
Definition: PeakPickerMaxima.h:142
OpenMS::PeakPickerMaxima::~PeakPickerMaxima
virtual ~PeakPickerMaxima()
Destructor.
Definition: PeakPickerMaxima.h:76
OpenMS::PeakPickerMaxima::PeakCandidate::mz_max
double mz_max
m/z value of the peak apex
Definition: PeakPickerMaxima.h:95
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::PeakPickerMaxima::PeakCandidate::int_max
double int_max
intensity value of the peak apex
Definition: PeakPickerMaxima.h:97
OpenMS::PeakPickerMaxima::spacing_difference_
double spacing_difference_
Definition: PeakPickerMaxima.h:145
OpenMS::PeakPickerMaxima::PeakCandidate
The PeakCandidate describes the output of the peak picker.
Definition: PeakPickerMaxima.h:86
OpenMS::PeakPickerMaxima::signal_to_noise_
double signal_to_noise_
Definition: PeakPickerMaxima.h:139
OpenMS::PeakPickerMaxima::spacing_difference_gap_
double spacing_difference_gap_
Definition: PeakPickerMaxima.h:148
OpenMS::PeakPickerMaxima::PeakCandidate::right_boundary
int right_boundary
index of the right boundary (relative to the input data)
Definition: PeakPickerMaxima.h:93