Exponential-Gaussian hybrid distribution fitter (1-dim.) using Levenberg-Marquardt algorithm (GSL implementation) for parameter optimization. More...

#include <OpenMS/SIMULATION/EGHFitter1D.h>

Inheritance diagram for EGHFitter1D:

List of all members.

Classes
struct	Data
	Helper struct (contains the size of an area and a raw data container). More...
Public Member Functions
	EGHFitter1D ()
	Default constructor.
	EGHFitter1D (const EGHFitter1D &source)
	copy constructor
virtual	~EGHFitter1D ()
	destructor
virtual EGHFitter1D &	operator= (const EGHFitter1D &source)
	assignment operator
QualityType	fit1d (const RawDataArrayType &range, InterpolationModel *&model)
	return interpolation model
Static Public Member Functions
static Fitter1D *	create ()
	create new EGHFitter1D object (function needed by Factory)
static const String	getProductName ()
	name of the model (needed by Factory)
Protected Member Functions
virtual void	setInitialParameters_ (const RawDataArrayType &set)
	Compute start parameter.
void	printState_ (Int iter, gsl_multifit_fdfsolver *s)
void	updateMembers_ ()
Static Protected Member Functions
static Int	residual_ (const gsl_vector x, void params, gsl_vector *f)
	Evaluation of the target function for nonlinear optimization.
static Int	jacobian_ (const gsl_vector x, void params, gsl_matrix *J)
	Compute the Jacobian matrix, where each row of the matrix corresponds to a point in the data.
static Int	evaluate_ (const gsl_vector x, void params, gsl_vector f, gsl_matrix J)
	Driver function for the evaluation of function and jacobian.
Protected Attributes
CoordinateType	height_
	Parameter of egh - peak height.
CoordinateType	tau_
	Parameter of egh - tau.
CoordinateType	sigma_square_
	Parameter of egh - sigma-square.
CoordinateType	retention_
	Parameter of egh - peak retention time.

Detailed Description

Exponential-Gaussian hybrid distribution fitter (1-dim.) using Levenberg-Marquardt algorithm (GSL implementation) for parameter optimization.

Parameters of this class are:

Name	Type	Default	Description
interpolation_step	float	0.2	Sampling rate for the interpolation of the model function.
tolerance_stdev_bounding_box	float	3	Bounding box has range [minimim of data, maximum of data] enlarged by tolerance_stdev_bounding_box times the standard deviation of the data.
max_iteration	int	500	Maximum number of iterations using by Levenberg-Marquardt algorithm.
deltaAbsError	float	0.0001	Absolute error used by the Levenberg-Marquardt algorithm.
deltaRelError	float	0.0001	Relative error used by the Levenberg-Marquardt algorithm.
statistics:mean	float	1	Centroid position of the model.
statistics:variance	float	1	Variance of the model.

Note:

If a section name is documented, the documentation is displayed as tooltip.
Advanced parameter names are italic.

Constructor & Destructor Documentation

EGHFitter1D ( )

Default constructor.

EGHFitter1D ( const EGHFitter1D & source )

copy constructor

virtual ~EGHFitter1D ( ) [virtual]

destructor

Member Function Documentation

static Fitter1D* create ( ) [inline, static]

create new EGHFitter1D object (function needed by Factory)

static Int evaluate_	(	const gsl_vector *	x,
		void *	params,
		gsl_vector *	f,
		gsl_matrix *	J
	)			`[static, protected]`

Driver function for the evaluation of function and jacobian.

QualityType fit1d	(	const RawDataArrayType &	range,
		InterpolationModel *&	model
	)			`[virtual]`

return interpolation model

Reimplemented from Fitter1D.

static const String getProductName ( ) [inline, static]

name of the model (needed by Factory)

static Int jacobian_	(	const gsl_vector *	x,
		void *	params,
		gsl_matrix *	J
	)			`[static, protected]`

Compute the Jacobian matrix, where each row of the matrix corresponds to a point in the data.

virtual EGHFitter1D& operator= ( const EGHFitter1D & source ) [virtual]

assignment operator

void printState_	(	Int	iter,
		gsl_multifit_fdfsolver *	s
	)			`[protected, virtual]`

Diplay the intermediate state of the solution. The solver state contains the vector s->x which is the current position, and the vector s->f with corresponding function values

Implements LevMarqFitter1D.