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PeakShape Class Reference

#include <OpenMS/TRANSFORMATIONS/RAW2PEAK/PeakShape.h>

List of all members.


Detailed Description

This class is a internal representation (used by the PeakPickerCWT) of a peak shape.

It defines an asymmetric lorentzian and asymmetric hyperbolic squared secan function.

Public Types

typedef RawDataPoint1D RawDataPointType
 Raw data point type.
typedef std::vector
< RawDataPointType >::iterator 
RawDataPointIterator
 Iterator to the raw data vector.

Public Member Functions

 PeakShape ()
 Constructor.
 PeakShape (double height_, double mz_position_, double left_width_, double right_width_, double area_, RawDataPointIterator left_, RawDataPointIterator right_, PeakShapeType::Enum type_)
 Constructor.
 PeakShape (const PeakShape &peakshape)
 Copy constructor.
virtual ~PeakShape ()
 Destructor.
PeakShapeoperator= (const PeakShape &peakshape)
 Assignment operator.
bool operator== (const PeakShape &pf) const
double operator() (double x) const
 Compute the intensity of the peaks shape at position x.
double getSymmetricMeasure () const
 Computes symmetry measure of the peak shape, which is corresponds to th ratio of the left and right width parameters.
double getFWHM () const
 Estimates the full width at half maximum.

Public Attributes

double height
 Maximum intensity of the peak shape.
double mz_position
 Centroid position.
double left_width
 Left width parameter.
double right_width
 Right width parameter.
double area
 Area of the peak shape.
double r_value
 Correlation coefficient.
double signal_to_noise
 The signal to noise ratio at the mz_position.
RawDataPointIterator left_endpoint
 Left peak endpoint in the data.
RawDataPointIterator right_endpoint
 Right peak endpoint in the data.
PeakShapeType::Enum type
 Peak shape type (asymmetric lorentzian or asymmetric hyperbolic secans squared).

Classes

class  PositionLess
 Comparator for the width. More...


Member Typedef Documentation

typedef RawDataPoint1D RawDataPointType

Raw data point type.

typedef std::vector<RawDataPointType>::iterator RawDataPointIterator

Iterator to the raw data vector.


Constructor & Destructor Documentation

PeakShape (  )  [inline]

Constructor.

PeakShape ( double  height_,
double  mz_position_,
double  left_width_,
double  right_width_,
double  area_,
RawDataPointIterator  left_,
RawDataPointIterator  right_,
PeakShapeType::Enum  type_ 
)

Constructor.

PeakShape ( const PeakShape peakshape  ) 

Copy constructor.

virtual ~PeakShape (  )  [inline, virtual]

Destructor.


Member Function Documentation

PeakShape& operator= ( const PeakShape peakshape  ) 

Assignment operator.

bool operator== ( const PeakShape pf  )  const

double operator() ( double  x  )  const

Compute the intensity of the peaks shape at position x.

double getSymmetricMeasure (  )  const

Computes symmetry measure of the peak shape, which is corresponds to th ratio of the left and right width parameters.

double getFWHM (  )  const

Estimates the full width at half maximum.


Member Data Documentation

double height

Maximum intensity of the peak shape.

double mz_position

Centroid position.

double left_width

Left width parameter.

double right_width

Right width parameter.

double area

Area of the peak shape.

double r_value

Correlation coefficient.

It represents the squared pearson correlation coefficient with the original data (0 <= r_value <= 1).

double signal_to_noise

The signal to noise ratio at the mz_position.

RawDataPointIterator left_endpoint

Left peak endpoint in the data.

RawDataPointIterator right_endpoint

Right peak endpoint in the data.

PeakShapeType::Enum type

Peak shape type (asymmetric lorentzian or asymmetric hyperbolic secans squared).

The peak shape can represent an asymmetric lorentzian function, given by

l(x) = height/(1.+pow(left_width*(x - mz_position), 2)) (x<=mz_position)

l(x) = height/(1.+pow(right_width*(x - mz_position), 2)) (x>mz_position)

or an asymmetric hyperbolic secans squared function

s(x) = height/pow(cosh(left_width*(x-mz_position)), 2) (x<=mz_position)

s(x) = height/pow(cosh(right_width*(x-mz_position)), 2) (x>mz_position)


The documentation for this class was generated from the following file:
Generated Tue Apr 1 15:36:48 2008 -- using doxygen 1.5.4 OpenMS / TOPP 1.1