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OpenMS
2.6.0
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46 #undef DEBUG_PEAK_PICKING
120 double estimatePeakWidth(
const PeakMap & input);
158 void updateMembers_()
override;
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;
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;
276 void addPeak_(std::vector<PeakShape> & peaks_DC, PeakArea_ & area,
double left_width,
double right_width,
OptimizePeakDeconvolution::Data & data)
const;
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
This class implements a peak picking algorithm using wavelet techniques.
Definition: PeakPickerCWT.h:78
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
Class for the internal peak representation.
Definition: PeakPickerCWT.h:170
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
Class containing the data needed for optimization.
Definition: OptimizePeakDeconvolution.h:110
bool two_d_optimization_
Switch for the 2D optimization of peak parameters.
Definition: PeakPickerCWT.h:155
Base class for all classes that want to report their progress.
Definition: ProgressLogger.h:54
UInt radius_
The search radius for the determination of a peak's maximum position.
Definition: PeakPickerCWT.h:137
Internal representation of a peak shape (used by the PeakPickerCWT)
Definition: PeakShape.h:50
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 peak_bound_ms2_level_
Threshold for the peak height in the MS 2 level.
Definition: PeakPickerCWT.h:128
float noise_level_
The threshold for the noise level (TODO: Use the information of the signal to noise estimator)
Definition: PeakPickerCWT.h:146
float peak_corr_bound_
The threshold for correlation.
Definition: PeakPickerCWT.h:143
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
PeakIterator max
iterator to the maximum position
Definition: PeakPickerCWT.h:174
float scale_
The dilation of the wavelet.
Definition: PeakPickerCWT.h:140
float fwhm_bound_
The minimal full width at half maximum.
Definition: PeakPickerCWT.h:134
PeakIterator right
iterator to the rightmost valid point (inclusive)
Definition: PeakPickerCWT.h:175
bool deconvolution_
Switch for the deconvolution of peak parameters.
Definition: PeakPickerCWT.h:152
MSSpectrum::iterator PeakIterator
Profile data iterator type.
Definition: PeakPickerCWT.h:84
PeakIterator left
iterator to the leftmost valid point
Definition: PeakPickerCWT.h:173
DPosition< 1 > centroid_position
The estimated centroid position in m/z.
Definition: PeakPickerCWT.h:176
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
float signal_to_noise_
Signal to noise threshold.
Definition: PeakPickerCWT.h:131
MSSpectrum::const_iterator ConstPeakIterator
Const profile data iterator type.
Definition: PeakPickerCWT.h:86