cChromatogramWindowWidget.h File Reference

Chromatogram window widget. More...

#include <QWidget>
#include <QGraphicsView>
#include <QGraphicsSimpleTextItem>
#include <QScrollBar>
#include <QMessageBox>
#include <QPrinter>
#include <QSvgGenerator>
#include <QImage>
#include <QMouseEvent>
#include <QProgressDialog>
#include "core/utilities.h"
#include "core/cTheoreticalSpectrumList.h"
#include "gui/cEventFilter.h"
#include "gui/cPatternSimulatorSceneWidget.h"

Go to the source code of this file.

Classes
class	cChromatogramWindowWidget
	Chromatogram window widget. More...

Functions
double	getGaussianArea (double sigma, double height)
	Get area under Gaussian function. More...
double	getGaussianAreas (vector< double > &sigmas, vector< double > &heights)
	Get area of EIC peaks (Gaussian function). More...
double	getExponentiallyModifiedGaussianArea (double x, double h, double ny, double sigma, double tau, bool fronting)
	Get area under Exponentially Modified Gaussian function. More...
double	getExponentiallyModifiedGaussianAreas (vector< double > &xvalues, vector< double > &heights, vector< double > &nys, vector< double > &sigmas, vector< double > &taus, bool fronting)
	Get area of EIC peaks (Exponentially Modified Gaussian function). More...
double	erfcx (double z)
	Calculate erfcx(z). More...
double	erfcxinv (double z)
	Calculate erfcxinv(z). More...
double	computeExponentiallyModifiedGaussFunction (double x, double h, double ny, double sigma, double tau, bool fronting)
	Compute value of exponentially modified Gaussian function. More...
double	computeExponentialFunction (double x, double base, double tau, bool fronting)
	Compute value of exponential function. More...
void	calculateCaruana (vector< double > &x, vector< double > &y, double &ny, double &sigma, double &height)
	Calculate ny, sigma, and height using Caruana's algorithm. More...
void	calculateGuo (vector< double > &x, vector< double > &y, int iterations, double &ny, double &sigma, double &height)
	Calculate ny, sigma, and height using Guo's algorithm. More...
void	calculateBaseTau (vector< double > &x, vector< double > &y, int iterations, bool fronting, double ynorm, double &base, double &tau)
	Calculate base and tau for exponential distribution. More...
void	calculateTauUsingWeightedAverage (vector< double > &x, vector< double > &y, bool fronting, double &tau)
	Calculate tau for exponential distribution using weighted average. More...
void	calculateGaussianParameters (cPeaksList &eicchromatogram, vector< double > &rtimes, int timeunit, bool absoluteintensity, bool usert, vector< double > &nys, vector< double > &sigmas, vector< double > &as)
	Get parameters of Gaussians functions (nys, sigmas, and heights). More...
void	calculateExponentialParameters (cPeaksList &eicchromatogram, vector< double > &rtimes, int timeunit, bool absoluteintensity, bool usert, bool fronting, double ynorm, vector< double > &bases, vector< double > &taus)
	Get parameters of Exponential functions (bases and taus). More...

Detailed Description

Chromatogram window widget.

Function Documentation

calculateBaseTau()

void calculateBaseTau	(	vector< double > &	x,
		vector< double > &	y,
		int	iterations,
		bool	fronting,
		double	ynorm,
		double &	base,
		double &	tau
	)

Calculate base and tau for exponential distribution.

Parameters

x	input vector of x-coordinates
y	input vector of y-coordinates
iterations	number of iterations
fronting	true = fronting enabled, false = tailing enabled
ynorm	y axis normalization value
base	output value of base
tau	output value of tau

calculateCaruana()

void calculateCaruana	(	vector< double > &	x,
		vector< double > &	y,
		double &	ny,
		double &	sigma,
		double &	height
	)

Calculate ny, sigma, and height using Caruana's algorithm.

Parameters

x	input vector of x-coordinates
y	input vector of y-coordinates
ny	output value of ny
sigma	output value of sigma
height	output value of height

calculateExponentialParameters()

void calculateExponentialParameters	(	cPeaksList &	eicchromatogram,
		vector< double > &	rtimes,
		int	timeunit,
		bool	absoluteintensity,
		bool	usert,
		bool	fronting,
		double	ynorm,
		vector< double > &	bases,
		vector< double > &	taus
	)

Get parameters of Exponential functions (bases and taus).

Parameters

eicchromatogram	input EIC chromatogram
rtimes	input retention time vector
timeunit	RT time unit
absoluteintensity	use absolute intensities
usert	use RT instead of scan ids
fronting	true = fronting enabled, false = tailing enabled
ynorm	y axis normalization value
bases	output vector of bases
taus	output vector of taus

calculateGaussianParameters()

void calculateGaussianParameters	(	cPeaksList &	eicchromatogram,
		vector< double > &	rtimes,
		int	timeunit,
		bool	absoluteintensity,
		bool	usert,
		vector< double > &	nys,
		vector< double > &	sigmas,
		vector< double > &	as
	)

Get parameters of Gaussians functions (nys, sigmas, and heights).

Parameters

eicchromatogram	input EIC chromatogram
rtimes	input retention time vector
timeunit	RT time unit
absoluteintensity	use absolute intensities
usert	use RT instead of scan ids
nys	output vector of nys
sigmas	output vector of sigmas
as	output vector of heights

calculateGuo()

void calculateGuo	(	vector< double > &	x,
		vector< double > &	y,
		int	iterations,
		double &	ny,
		double &	sigma,
		double &	height
	)

Calculate ny, sigma, and height using Guo's algorithm.

Parameters

x	input vector of x-coordinates
y	input vector of y-coordinates
iterations	number of iterations
ny	output value of ny
sigma	output value of sigma
height	output value of height

calculateTauUsingWeightedAverage()

void calculateTauUsingWeightedAverage	(	vector< double > &	x,
		vector< double > &	y,
		bool	fronting,
		double &	tau
	)

Calculate tau for exponential distribution using weighted average.

Parameters

x	input vector of x-coordinates
y	input vector of y-coordinates
fronting	true = fronting enabled, false = tailing enabled
tau	output value of tau

computeExponentialFunction()

double computeExponentialFunction	(	double	x,
		double	base,
		double	tau,
		bool	fronting
	)

Compute value of exponential function.

Parameters

x	x
base	base
tau	tau
fronting	true = fronting enabled, false = tailing enabled

Return values

double

f(x)

computeExponentiallyModifiedGaussFunction()

double computeExponentiallyModifiedGaussFunction	(	double	x,
		double	h,
		double	ny,
		double	sigma,
		double	tau,
		bool	fronting
	)

Compute value of exponentially modified Gaussian function.

Parameters

x	x
h	h
ny	ny
sigma	sigma
tau	tau
fronting	true = fronting enabled, false = tailing enabled

Return values

double

f(x)

erfcx()

double erfcx

(

double

z

)

Calculate erfcx(z).

Parameters

z	input value

Return values

erfcx(z)

erfcxinv()

double erfcxinv

(

double

z

)

Calculate erfcxinv(z).

Parameters

z	input value

Return values

erfcxinv(z)

getExponentiallyModifiedGaussianArea()

double getExponentiallyModifiedGaussianArea	(	double	x,
		double	h,
		double	ny,
		double	sigma,
		double	tau,
		bool	fronting
	)

Get area under Exponentially Modified Gaussian function.

Parameters

x	some value of x
h	height of Gaussian
ny	ny of Gaussian
sigma	sigma of Gaussian
tau	tau of Exponential
fronting	true = fronting enabled, false = tailing enabled

Return values

double

area

getExponentiallyModifiedGaussianAreas()

double getExponentiallyModifiedGaussianAreas	(	vector< double > &	xvalues,
		vector< double > &	heights,
		vector< double > &	nys,
		vector< double > &	sigmas,
		vector< double > &	taus,
		bool	fronting
	)

Get area of EIC peaks (Exponentially Modified Gaussian function).

Parameters

xvalues	vector of x values
heights	vector of heights of Gaussians
nys	vector of nys of Gaussians
sigmas	vector of sigmas of Gaussians
taus	vector of taus of Exponentials
fronting	true = fronting enabled, false = tailing enabled

Return values

double

area

getGaussianArea()

double getGaussianArea	(	double	sigma,
		double	height
	)

Get area under Gaussian function.

Parameters

sigma	sigma
height	height

Return values

double

area

getGaussianAreas()

double getGaussianAreas	(	vector< double > &	sigmas,
		vector< double > &	heights
	)

Get area of EIC peaks (Gaussian function).

Parameters

sigmas	input vector of sigmas
heights	input vector of heights

Return values

double

area