AbsoluteQuantitationMethod is a class to hold information about the quantitation method and for applying and/or generating the quantitation method. More...

#include <OpenMS/ANALYSIS/QUANTITATION/AbsoluteQuantitationMethod.h>

Collaboration diagram for AbsoluteQuantitationMethod:

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Public Member Functions
bool	operator== (const AbsoluteQuantitationMethod &other) const

bool	operator!= (const AbsoluteQuantitationMethod &other) const

void	setComponentName (const String &component_name)
	Component name setter. More...

String	getComponentName () const
	Component name getter. More...

void	setFeatureName (const String &feature_name)
	Feature name setter. More...

String	getFeatureName () const
	Feature name getter. More...

void	setISName (const String &IS_name)
	IS name setter. More...

String	getISName () const
	IS_name getter. More...

void	setLLOD (const double llod)
	LLOD setter. More...

double	getLLOD () const
	LLOD getter. More...

void	setULOD (const double ulod)
	ULOD setter. More...

double	getULOD () const
	ULOD getter. More...

bool	checkLOD (const double value) const
	This function checks if the value is within the limits of detection (LOD) More...

void	setLLOQ (const double lloq)
	LLOQ setter. More...

double	getLLOQ () const
	LLOQ getter. More...

void	setULOQ (const double uloq)
	ULOQ setter. More...

double	getULOQ () const
	ULOQ getter. More...

bool	checkLOQ (const double value) const
	This function checks if the value is within the limits of quantitation (LOQ) More...

void	setNPoints (const Int n_points)
	Set the number of points. More...

Int	getNPoints () const
	Get the number of points. More...

void	setCorrelationCoefficient (const double correlation_coefficient)
	Set the correlation coefficient. More...

double	getCorrelationCoefficient () const
	Get the correlation coefficient. More...

void	setConcentrationUnits (const String &concentration_units)
	Concentration units setter. More...

String	getConcentrationUnits () const
	Concentration units getter. More...

void	setTransformationModel (const String &transformation_model)
	Transformation model setter. More...

String	getTransformationModel () const
	Transformation model getter. More...

void	setTransformationModelParams (const Param &transformation_model_params)
	Transformation model parameters setter. More...

Param	getTransformationModelParams () const
	Transformation model parameters getter. More...

Private Attributes
Param	transformation_model_params_
	transformation model parameters More...

String	component_name_
	id of the component More...

String	feature_name_
	name of the feature (i.e., peak_apex_int or peak_area) More...

String	IS_name_
	the internal standard (IS) name for the transition More...

String	concentration_units_
	concentration units of the component's concentration More...

String	transformation_model_
	transformation model More...

double	llod_ { 0.0 }
	lower limit of detection (LLOD) of the transition More...

double	ulod_ { 0.0 }
	upper limit of detection (ULOD) of the transition More...

double	lloq_ { 0.0 }
	lower limit of quantitation (LLOQ) of the transition More...

double	uloq_ { 0.0 }
	upper limit of quantitation (ULOQ) of the transition More...

double	correlation_coefficient_ { 0.0 }
	the Pearson R value for the correlation coefficient of the calibration curve More...

Int	n_points_ { 0 }
	number of points used in a calibration curve More...

Detailed Description

AbsoluteQuantitationMethod is a class to hold information about the quantitation method and for applying and/or generating the quantitation method.

The quantitation method describes all parameters required to define the calibration curve used for absolute quantitation by Isotope Dilution Mass Spectrometry (IDMS). The quantitation method also defines the statistics of the fitted calibration curve as well as the lower and upper bounds of the calibration for later Quality Control.

Member Function Documentation

◆ checkLOD()

bool checkLOD ( const double value ) const

This function checks if the value is within the limits of detection (LOD)

◆ checkLOQ()

bool checkLOQ ( const double value ) const

This function checks if the value is within the limits of quantitation (LOQ)

◆ getComponentName()

String getComponentName ( ) const

Component name getter.

◆ getConcentrationUnits()

String getConcentrationUnits ( ) const

Concentration units getter.

◆ getCorrelationCoefficient()

double getCorrelationCoefficient ( ) const

Get the correlation coefficient.

◆ getFeatureName()

String getFeatureName ( ) const

Feature name getter.

◆ getISName()

String getISName ( ) const

IS_name getter.

◆ getLLOD()

double getLLOD ( ) const

LLOD getter.

◆ getLLOQ()

double getLLOQ ( ) const

LLOQ getter.

◆ getNPoints()

Int getNPoints ( ) const

Get the number of points.

◆ getTransformationModel()

String getTransformationModel ( ) const

Transformation model getter.

◆ getTransformationModelParams()

Param getTransformationModelParams ( ) const

Transformation model parameters getter.

◆ getULOD()

double getULOD ( ) const

ULOD getter.

◆ getULOQ()

double getULOQ ( ) const

ULOQ getter.

◆ operator!=()

bool operator!= ( const AbsoluteQuantitationMethod & other ) const

◆ operator==()

bool operator== ( const AbsoluteQuantitationMethod & other ) const

◆ setComponentName()

void setComponentName ( const String & component_name )

Component name setter.

◆ setConcentrationUnits()

void setConcentrationUnits ( const String & concentration_units )

Concentration units setter.

◆ setCorrelationCoefficient()

void setCorrelationCoefficient ( const double correlation_coefficient )

Set the correlation coefficient.

◆ setFeatureName()

void setFeatureName ( const String & feature_name )

Feature name setter.

◆ setISName()

void setISName ( const String & IS_name )

IS name setter.

◆ setLLOD()

void setLLOD ( const double llod )

LLOD setter.

◆ setLLOQ()

void setLLOQ ( const double lloq )

LLOQ setter.

◆ setNPoints()

void setNPoints ( const Int n_points )

Set the number of points.

◆ setTransformationModel()

void setTransformationModel ( const String & transformation_model )

Transformation model setter.

◆ setTransformationModelParams()

void setTransformationModelParams ( const Param & transformation_model_params )

Transformation model parameters setter.

◆ setULOD()

void setULOD ( const double ulod )

ULOD setter.

◆ setULOQ()

void setULOQ ( const double uloq )

ULOQ setter.

Member Data Documentation

◆ component_name_

String component_name_

private

id of the component

◆ concentration_units_

String concentration_units_

private

concentration units of the component's concentration

◆ correlation_coefficient_

double correlation_coefficient_ { 0.0 }

private

the Pearson R value for the correlation coefficient of the calibration curve

◆ feature_name_

String feature_name_

private

name of the feature (i.e., peak_apex_int or peak_area)

◆ IS_name_

String IS_name_

private

the internal standard (IS) name for the transition

◆ llod_

double llod_ { 0.0 }

private

lower limit of detection (LLOD) of the transition

◆ lloq_

double lloq_ { 0.0 }

private

lower limit of quantitation (LLOQ) of the transition

◆ n_points_

Int n_points_ { 0 }

private

number of points used in a calibration curve

◆ transformation_model_

String transformation_model_

private

transformation model

◆ transformation_model_params_

Param transformation_model_params_

private

transformation model parameters

◆ ulod_

double ulod_ { 0.0 }

private

upper limit of detection (ULOD) of the transition

◆ uloq_

double uloq_ { 0.0 }

private

upper limit of quantitation (ULOQ) of the transition

Public Member Functions

Private Attributes

Detailed Description

Member Function Documentation

◆ checkLOD()

◆ checkLOQ()

◆ getComponentName()

◆ getConcentrationUnits()

◆ getCorrelationCoefficient()

◆ getFeatureName()

◆ getISName()

◆ getLLOD()

◆ getLLOQ()

◆ getNPoints()

◆ getTransformationModel()

◆ getTransformationModelParams()

◆ getULOD()

◆ getULOQ()

◆ operator!=()

◆ operator==()

◆ setComponentName()

◆ setConcentrationUnits()

◆ setCorrelationCoefficient()

◆ setFeatureName()

◆ setISName()

◆ setLLOD()

◆ setLLOQ()

◆ setNPoints()

◆ setTransformationModel()

◆ setTransformationModelParams()

◆ setULOD()

◆ setULOQ()

Member Data Documentation

◆ component_name_

◆ concentration_units_

◆ correlation_coefficient_

◆ feature_name_

◆ IS_name_

◆ llod_

◆ lloq_

◆ n_points_

◆ transformation_model_

◆ transformation_model_params_

◆ ulod_

◆ uloq_