pwiz::data::CalibrationParameters Struct Reference

#include <CalibrationParameters.hpp>

List of all members.

Public Types
enum	InstrumentModel { FT, Orbitrap }

Public Member Functions
	CalibrationParameters (double a=0, double b=0, InstrumentModel im=FT)
double	mz (double frequency) const
double	frequency (double mz) const
bool	operator== (const CalibrationParameters &that) const
bool	operator!= (const CalibrationParameters &that) const

Static Public Member Functions
static CalibrationParameters	thermo_FT ()
static CalibrationParameters	thermo_Orbitrap ()

Public Attributes
double	A
double	B
InstrumentModel	instrumentModel

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Detailed Description

Definition at line 45 of file CalibrationParameters.hpp.

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Member Enumeration Documentation

enum pwiz::data::CalibrationParameters::InstrumentModel

Enumerator:

FT
Orbitrap

Definition at line 50 of file CalibrationParameters.hpp.

{FT, Orbitrap};

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Constructor & Destructor Documentation

pwiz::data::CalibrationParameters::CalibrationParameters ( double  a = 0, double  b = 0, InstrumentModel  im = FT  )

inline

Definition at line 72 of file CalibrationParameters.hpp.

Referenced by thermo_FT(), and thermo_Orbitrap().

: A(a), B(b), instrumentModel(im)
{}

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Member Function Documentation

double pwiz::data::CalibrationParameters::mz ( double  frequency ) const

inline

Definition at line 77 of file CalibrationParameters.hpp.

References A, B, frequency(), instrumentModel, and Orbitrap.

Referenced by test().

{
    if (frequency == 0) throw std::runtime_error("[CalibrationParameters::mz()] Division by zero.\n");
    return (instrumentModel==Orbitrap) ?
        A/(frequency*frequency) : 
        A/frequency + B/(frequency*frequency);
}

double pwiz::data::CalibrationParameters::frequency ( double  mz ) const

inline

Definition at line 86 of file CalibrationParameters.hpp.

References A, B, instrumentModel, and Orbitrap.

Referenced by mz(), test(), and testNoiseFloorVarianceCalculation().

{
    if (mz == 0) throw std::runtime_error("[CalibrationParameters::frequency()] Division by zero.\n");
    return (instrumentModel==Orbitrap) ?
        sqrt(A/mz) :
        (A+sqrt(A*A + 4*B*mz))/(2*mz);
}

bool pwiz::data::CalibrationParameters::operator== ( const CalibrationParameters &  that ) const

inline

Definition at line 95 of file CalibrationParameters.hpp.

References A, B, and instrumentModel.

Referenced by operator!=().

{
    return A==that.A && B==that.B && instrumentModel==that.instrumentModel;
} 

bool pwiz::data::CalibrationParameters::operator!= ( const CalibrationParameters &  that ) const

inline

Definition at line 101 of file CalibrationParameters.hpp.

References operator==().

{
    return !operator==(that); 
} 

CalibrationParameters pwiz::data::CalibrationParameters::thermo_FT ( )

inlinestatic

Definition at line 107 of file CalibrationParameters.hpp.

References CalibrationParameters(), FT, pwiz::data::thermoA_FT_, and pwiz::data::thermoB_FT_.

Referenced by createPrecursorRecalculator_msprefix(), test(), and test2().

{
    return CalibrationParameters(thermoA_FT_, thermoB_FT_, FT);
}

CalibrationParameters pwiz::data::CalibrationParameters::thermo_Orbitrap ( )

inlinestatic

Definition at line 113 of file CalibrationParameters.hpp.

References CalibrationParameters(), Orbitrap, pwiz::data::thermoA_Orbitrap_, and pwiz::data::thermoB_Orbitrap_.

{
    return CalibrationParameters(thermoA_Orbitrap_, thermoB_Orbitrap_, Orbitrap);
}

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Member Data Documentation

double pwiz::data::CalibrationParameters::A

Definition at line 47 of file CalibrationParameters.hpp.

Referenced by frequency(), initializeScan(), mz(), pwiz::data::operator<<(), operator==(), and test().

double pwiz::data::CalibrationParameters::B

Definition at line 48 of file CalibrationParameters.hpp.

Referenced by frequency(), initializeScan(), mz(), pwiz::data::operator<<(), operator==(), and test().

InstrumentModel pwiz::data::CalibrationParameters::instrumentModel

Definition at line 51 of file CalibrationParameters.hpp.

Referenced by frequency(), mz(), and operator==().

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The documentation for this struct was generated from the following file:

• /Users/parag/_Research/pwiz/svn/trunk/pwiz/pwiz/data/misc/CalibrationParameters.hpp