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IntegratePeaksMD v1¶
Summary¶
Integrate single-crystal peaks in reciprocal space, for MDEventWorkspaces.
Properties¶
Name |
Direction |
Type |
Default |
Description |
|---|---|---|---|---|
InputWorkspace |
Input |
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