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IntegrateEllipsoids v3

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Summary

Integrate Single Crystal Diffraction Bragg peaks using 3D ellipsoids.

See Also

IntegrateEllipsoidsTwoStep

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

Source

C++ header: IntegrateEllipsoidsV2.h

C++ source: IntegrateEllipsoidsV2.cpp