| OpenMS 2.5.0

Public Member Functions | Private Attributes | List of all members
AbsoluteQuantitationMethod Class Reference

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>`

## 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