#include <OpenMS/TRANSFORMATIONS/RAW2PEAK/PeakShape.h>
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. | |
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. | |
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... |
typedef RawDataPoint1D RawDataPointType |
Raw data point type.
typedef std::vector<RawDataPointType>::iterator RawDataPointIterator |
Iterator to the raw data vector.
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.
virtual ~PeakShape | ( | ) | [inline, virtual] |
Destructor.
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.
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.
Left peak endpoint in the data.
Right peak endpoint in the data.
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)
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