Mantid::Crystal::PeakStatisticsTools::UniqueReflection Class Reference

This class is a small helper for SortHKL to hold Peak-objects that belong to the same family of reflections. More...

#include <PeakStatisticsTools.h>

Public Member Functions
void	addPeak (const DataObjects::Peak &peak)
size_t	count () const
const Kernel::V3D &	getHKL () const
std::vector< double >	getIntensities () const
	Returns a vector with the intensities of the Peaks stored in this reflection. More...
const std::vector< DataObjects::Peak > &	getPeaks () const
std::vector< double >	getSigmas () const
	Returns a vector with the intensity sigmas of the Peaks stored in this reflection. More...
std::vector< double >	getWavelengths () const
	Returns a vector with the wavelengths of the Peaks stored in this reflection. More...
UniqueReflection	removeOutliers (double sigmaCritical=3.0, bool weightedZ=false) const
	Removes peaks whose intensity deviates more than sigmaCritical from the intensities' mean. More...
void	setPeaksIntensityAndSigma (double intensity, double sigma)
	Sets the intensities and sigmas of all stored peaks to the supplied values. More...
	UniqueReflection (const Kernel::V3D &hkl)

Private Attributes
Kernel::V3D	m_hkl
std::vector< DataObjects::Peak >	m_peaks

Detailed Description

This class is a small helper for SortHKL to hold Peak-objects that belong to the same family of reflections.

It has methods to return the intensities and sigmas of the contained Peak-objects as vectors. Furthermore there is a function that removes outliers based on the intensities/sigmas.

Definition at line 33 of file PeakStatisticsTools.h.

Constructor & Destructor Documentation

UniqueReflection()

Mantid::Crystal::PeakStatisticsTools::UniqueReflection::UniqueReflection ( const Kernel::V3D &  hkl )

inline

Definition at line 35 of file PeakStatisticsTools.h.

Member Function Documentation

addPeak()

void Mantid::Crystal::PeakStatisticsTools::UniqueReflection::addPeak ( const DataObjects::Peak &  peak )

inline

Definition at line 39 of file PeakStatisticsTools.h.

Referenced by removeOutliers().

count()

size_t Mantid::Crystal::PeakStatisticsTools::UniqueReflection::count ( ) const

inline

Definition at line 41 of file PeakStatisticsTools.h.

getHKL()

const Kernel::V3D & Mantid::Crystal::PeakStatisticsTools::UniqueReflection::getHKL ( ) const

inline

Definition at line 37 of file PeakStatisticsTools.h.

getIntensities()

std::vector< double > Mantid::Crystal::PeakStatisticsTools::UniqueReflection::getIntensities

(

)

const

Returns a vector with the intensities of the Peaks stored in this reflection.

Definition at line 38 of file PeakStatisticsTools.cpp.

References m_peaks.

Referenced by removeOutliers().

getPeaks()

const std::vector< DataObjects::Peak > & Mantid::Crystal::PeakStatisticsTools::UniqueReflection::getPeaks ( ) const

inline

Definition at line 40 of file PeakStatisticsTools.h.

getSigmas()

std::vector< double > Mantid::Crystal::PeakStatisticsTools::UniqueReflection::getSigmas

(

)

const

Returns a vector with the intensity sigmas of the Peaks stored in this reflection.

Definition at line 50 of file PeakStatisticsTools.cpp.

References m_peaks.

Referenced by removeOutliers().

getWavelengths()

std::vector< double > Mantid::Crystal::PeakStatisticsTools::UniqueReflection::getWavelengths

(

)

const

Returns a vector with the wavelengths of the Peaks stored in this reflection.

Definition at line 26 of file PeakStatisticsTools.cpp.

References m_peaks.

removeOutliers()

UniqueReflection Mantid::Crystal::PeakStatisticsTools::UniqueReflection::removeOutliers	(	double	sigmaCritical = 3.0,
		bool	weightedZ = false
	)		const

Removes peaks whose intensity deviates more than sigmaCritical from the intensities' mean.

Definition at line 62 of file PeakStatisticsTools.cpp.

References addPeak(), getIntensities(), getSigmas(), Mantid::Kernel::getWeightedZscore(), Mantid::Kernel::getZscore(), m_hkl, and m_peaks.

setPeaksIntensityAndSigma()

void Mantid::Crystal::PeakStatisticsTools::UniqueReflection::setPeaksIntensityAndSigma	(	double	intensity,
		double	sigma
	)

Sets the intensities and sigmas of all stored peaks to the supplied values.

Definition at line 94 of file PeakStatisticsTools.cpp.

References m_peaks, and sigma.

Member Data Documentation

m_hkl

Kernel::V3D Mantid::Crystal::PeakStatisticsTools::UniqueReflection::m_hkl

private

Definition at line 51 of file PeakStatisticsTools.h.

Referenced by removeOutliers().

m_peaks

std::vector<DataObjects::Peak> Mantid::Crystal::PeakStatisticsTools::UniqueReflection::m_peaks

private

Definition at line 52 of file PeakStatisticsTools.h.

Referenced by getIntensities(), getSigmas(), getWavelengths(), removeOutliers(), and setPeaksIntensityAndSigma().

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The documentation for this class was generated from the following files:

• Framework/Crystal/inc/MantidCrystal/PeakStatisticsTools.h
• Framework/Crystal/src/PeakStatisticsTools.cpp