IntegratePeaksMD v1

../_images/IntegratePeaksMD-v1_dlg.png

IntegratePeaksMD dialog.

Table of Contents

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   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: [‘BackToBackExponential’, ‘Bk2BkExpConvPV’, ‘DeltaFunction’, ‘ElasticDiffRotDiscreteCircle’, ‘ElasticDiffSphere’, ‘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: Algorithms | MDAlgorithms\Peaks