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IntegratePeaksMD v1

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Summary

Integrate single-crystal peaks in reciprocal space, for MDEventWorkspaces.

Properties

Name	Direction	Type	Default	Description
InputWorkspace	Input	MDEventWorkspace	Mandatory	An input MDEventWorkspace.
CoordinatesToUse	Input	string	Q (lab frame)	Ignored: algorithm uses the InputWorkspace’s coordinates. Allowed values: [‘Q (lab frame)’, ‘Q (sample frame)’, ‘HKL’]
PeakRadius	Input	number	1	Fixed radius around each peak position in which to integrate (in the same units as the workspace).
BackgroundInnerRadius	Input	number	0	Inner radius to use to evaluate the background of the peak. If smaller than PeakRadius, then we assume BackgroundInnerRadius = PeakRadius.
BackgroundOuterRadius	Input	number	0	Outer radius to use to evaluate the background of the peak. The signal density around the peak (BackgroundInnerRadius < r < BackgroundOuterRadius) is used to estimate the background under the peak. If smaller than PeakRadius, no background measurement is done.
PeaksWorkspace	Input	PeaksWorkspace	Mandatory	A PeaksWorkspace containing the peaks to integrate.
OutputWorkspace	Output	PeaksWorkspace	Mandatory	The output PeaksWorkspace will be a copy of the input PeaksWorkspace with the peaks’ integrated intensities.
ReplaceIntensity	Input	boolean	True	Always replace intensity in PeaksWorkspacem (default). If false, then do not replace intensity if calculated value is 0 (used for SNSSingleCrystalReduction)
IntegrateIfOnEdge	Input	boolean	True	Only warning if all of peak outer radius is not on detector (default). If false, do not integrate if the outer radius is not on a detector.
AdaptiveQRadius	Input	boolean	False	Default is false. If true, all input radii are multiplied by the magnitude of Q at the peak center so each peak has a different integration radius.
Cylinder	Input	boolean	False	Default is sphere. Use next five parameters for cylinder.
CylinderLength	Input	number	0	Length of cylinder in which to integrate (in the same units as the workspace).
PercentBackground	Input	number	0	Percent of CylinderLength that is background (20 is 20%)
ProfileFunction	Input	string	Gaussian	Fitting function for profile that is used only with Cylinder integration. Allowed values: [‘AsymmetricPearsonVII’, ‘BackToBackExponential’, ‘Bk2BkExpConvPV’, ‘DeltaFunction’, ‘ElasticDiffRotDiscreteCircle’, ‘ElasticDiffSphere’, ‘ElasticIsoRotDiff’, ‘ExamplePeakFunction’, ‘Gaussian’, ‘IkedaCarpenterPV’, ‘Lorentzian’, ‘PseudoVoigt’, ‘Voigt’, ‘NoFit’]
IntegrationOption	Input	string	GaussianQuadrature	Integration method for calculating intensity used only with Cylinder integration. Allowed values: [‘Sum’, ‘GaussianQuadrature’]
ProfilesFile	Input	string		Save (Optionally) as Isaw peaks file with profiles included. Allowed values: [‘profiles’]

Description

This algorithm performs integration of single-crystal peaks within a radius (with optional background subtraction) in reciprocal space.

The V1 of the algorithm is deprecated and left for compartibility with the scripts, which have the property CoordinatesToUse set. Use IntegratePeaksMD v2 for any new scripts.

Categories: AlgorithmIndex | MDAlgorithms\Peaks | Crystal\Integration

Source

C++ header: IntegratePeaksMD.h

C++ source: IntegratePeaksMD.cpp