\(\renewcommand\AA{\unicode{x212B}}\)

IntegrateEllipsoids v3

../_images/IntegrateEllipsoids-v3_dlg.png

IntegrateEllipsoids dialog.

Summary

Integrate Single Crystal Diffraction Bragg peaks using 3D ellipsoids.

Properties

Name Direction Type Default Description
InputWorkspace Input MatrixWorkspace Mandatory An input MatrixWorkspace with time-of-flight units along X-axis and defined instrument with defined sample
PeaksWorkspace InOut PeaksWorkspace Mandatory Workspace with Peaks to be integrated. NOTE: The peaks MUST be indexed with integer HKL values.
RegionRadius Input number 0.35 Only events at most this distance from a peak will be considered when integrating
SpecifySize Input boolean False If true, use the following for the major axis sizes, else use 3-sigma
PeakSize Input number 0.18 Half-length of major axis for peak ellipsoid
BackgroundInnerSize Input number 0.18 Half-length of major axis for inner ellipsoidal surface of background region
BackgroundOuterSize Input number 0.23 Half-length of major axis for outer ellipsoidal surface of background region
OutputWorkspace Output PeaksWorkspace Mandatory The output PeaksWorkspace will be a copy of the input PeaksWorkspace with the peaks’ integrated intensities.
CutoffIsigI Input number Optional Cuttoff for I/sig(i) when finding mean of half-length of major radius in first pass when SpecifySize is false.Default is no second pass.
NumSigmas Input number 3 Number of sigmas to add to mean of half-length of major radius for second pass when SpecifySize is false.
IntegrateInHKL Input boolean False If true, integrate in HKL space not Q space.
IntegrateIfOnEdge Input boolean True Set to false to not integrate if peak radius is off edge of detector.Background will be scaled if background radius is off edge.
AdaptiveQBackground Input boolean False Default is false. If true, BackgroundOuterRadius + AdaptiveQMultiplier * |Q| and BackgroundInnerRadius + AdaptiveQMultiplier * |Q|
AdaptiveQMultiplier Input number 0 PeakRadius + AdaptiveQMultiplier * |Q| so each peak has a different integration radius. Q includes the 2*pi factor.
UseOnePercentBackgroundCorrection Input boolean True If this options is enabled, then the the top 1% of the background will be removedbefore the background subtraction.
GetUBFromPeaksWorkspace Input boolean False If true, UB is taken from peak workspace.
SatelliteRegionRadius Input number Optional Only events at most this distance from a satellite peak will be considered when integration
SatellitePeakSize Input number Optional Half-length of major axis for satellite peak ellipsoid
ShareBackground Input boolean False Whether to use the same peak background region for satellite peaks.
SatelliteBackgroundInnerSize Input number Optional Half-length of major axis for the inner ellipsoidal surface of background region of the satellite peak
SatelliteBackgroundOuterSize Input number Optional Half-length of major axis for the outer ellipsoidal surface of background region of the satellite peak

Description

Overview

As IntegrateEllipsoids v1 and IntegrateEllipsoids v2 but based on input it automatically detects which of the two versions to trigger. Please refer to the docs of the other two for proper useage and acceptable inputs.

Categories: AlgorithmIndex | Crystal\Integration