35 #ifndef OPENMS_TRANSFORMATIONS_RAW2PEAK_PEAKPICKERCWT_H 36 #define OPENMS_TRANSFORMATIONS_RAW2PEAK_PEAKPICKERCWT_H 46 #undef DEBUG_PEAK_PICKING 158 void updateMembers_();
180 void getPeakArea_(
const PeakArea_ & area,
double & area_left,
double & area_right)
const;
204 const double peak_bound_cwt,
const double peak_bound_ms2_level_cwt,
const Int direction = 1)
const;
226 bool getPeakEndPoints_(PeakIterator first, PeakIterator last,
PeakArea_ & area,
Int distance_from_scan_border,
236 void getPeakCentroid_(
PeakArea_ & area)
const;
239 inline double lorentz_(
const double height,
const double lambda,
const double pos,
const double x)
const 241 const double x2 = lambda * (x - pos);
242 return height / (1 + x2*x2);
266 bool deconvolutePeak_(
PeakShape & shape, std::vector<PeakShape> & peak_shapes,
double peak_bound_cwt)
const;
269 Int getNumberOfPeaks_(ConstPeakIterator first, ConstPeakIterator last, std::vector<double> & peak_values,
273 Int determineChargeState_(std::vector<double> & peak_values)
const;
PeakIterator right
Definition: PeakPickerCWT.h:175
float signal_to_noise_
Signal to noise threshold.
Definition: PeakPickerCWT.h:131
PeakIterator left
Definition: PeakPickerCWT.h:173
MSSpectrum::iterator PeakIterator
Raw data iterator type.
Definition: PeakPickerCWT.h:84
bool two_d_optimization_
Switch for the 2D optimization of peak parameters.
Definition: PeakPickerCWT.h:155
This class implements a peak picking algorithm using wavelet techniques.
Definition: PeakPickerCWT.h:78
MSSpectrum::iterator PeakIterator
Definition: PeakPickerCWT.h:172
float peak_bound_ms2_level_
Threshold for the peak height in the MS 2 level.
Definition: PeakPickerCWT.h:128
DPosition< 1 > centroid_position
Definition: PeakPickerCWT.h:176
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
MSSpectrum::const_iterator ConstPeakIterator
Const raw data iterator type.
Definition: PeakPickerCWT.h:86
bool optimization_
Switch for the optimization of peak parameters.
Definition: PeakPickerCWT.h:149
float peak_bound_
Threshold for the peak height in the MS 1 level.
Definition: PeakPickerCWT.h:125
float noise_level_
The threshold for the noise level (TODO: Use the information of the signal to noise estimator) ...
Definition: PeakPickerCWT.h:146
double lorentz_(const double height, const double lambda, const double pos, const double x) const
Computes the value of a theoretical Lorentz peak at position x.
Definition: PeakPickerCWT.h:239
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
Internal representation of a peak shape (used by the PeakPickerCWT)
Definition: PeakShape.h:51
UInt radius_
The search radius for the determination of a peak's maximum position.
Definition: PeakPickerCWT.h:137
Base class for all classes that want to report their progress.
Definition: ProgressLogger.h:55
PeakIterator max
Definition: PeakPickerCWT.h:174
Class containing the data needed for optimization.
Definition: OptimizePeakDeconvolution.h:111
float fwhm_bound_
The minimal full width at half maximum.
Definition: PeakPickerCWT.h:134
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
float peak_corr_bound_
The threshold for correlation.
Definition: PeakPickerCWT.h:143
bool deconvolution_
Switch for the deconvolution of peak parameters.
Definition: PeakPickerCWT.h:152
float scale_
The dilation of the wavelet.
Definition: PeakPickerCWT.h:140
int Int
Signed integer type.
Definition: Types.h:96
Class for the internal peak representation.
Definition: PeakPickerCWT.h:170