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IntegratePeaksMD v1

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’, ‘PearsonIV’, ‘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