Table of Contents
Name | Direction | Type | Default | Description |
---|---|---|---|---|
InputWorkspace | Input | MatrixWorkspace | Mandatory | Name of the workspace to have detector resolution calculated |
DivergenceWorkspace | Input | MatrixWorkspace | Workspace containing the divergence | |
OutputWorkspace | Output | MatrixWorkspace | Mandatory | Name of the output workspace containing delta(d)/d of each detector/spectrum |
DeltaTOF | Input | number | Mandatory | DeltaT as the resolution of TOF with unit microsecond |
Wavelength | Input | number | Optional | Wavelength setting in Angstroms. This overrides what is in the dataset. |
PartialResolutionWorkspaces | Output | WorkspaceGroup | Mandatory | Workspaces created showing the various resolution terms |
Resolution of a detector in d-spacing is defined as
, which is constant for an individual
detector.
Starting from the Bragg equation for T.O.F. diffractometer,
as
and thus
where,
The optional DivergenceWorkspace specifies the values of
to use rather than those derived from the solid
angle of the detectors. EstimateDivergence can be used for estimating the divergence.
PartialResolutionWorkspaces is a collection of partial resolution functions where _tof is the time-of-flight term, _length is the path length term, and _angle is the angular term. Note that the total resolution is these terms added in quadriture.
Note that . When fitting peaks in time-of-flight the resolution is
.
Example - estimate PG3 partial detectors’ resolution:
# Load a Nexus file
Load(Filename="PG3_2538_2k.nxs", OutputWorkspace="PG3_2538")
# Run the algorithm to estimate detector's resolution
EstimateResolutionDiffraction(InputWorkspace="PG3_2538", DeltaTOF=40.0, OutputWorkspace="PG3_Resolution",
PartialResolutionWorkspaces="PG3_Resolution_partials")
resws = mtd["PG3_Resolution"]
print("Size of workspace 'PG3_Resolution' = {}".format(resws.getNumberHistograms()))
print("Estimated resolution of detector of spectrum 0 = {:.14f}".format(resws.readY(0)[0]))
print("Estimated resolution of detector of spectrum 100 = {:.14f}".format(resws.readY(100)[0]))
print("Estimated resolution of detector of spectrum 999 = {:.14f}".format(resws.readY(999)[0]))
Output:
Size of workspace 'PG3_Resolution' = 1000
Estimated resolution of detector of spectrum 0 = 0.00323913250277
Estimated resolution of detector of spectrum 100 = 0.00323608373204
Estimated resolution of detector of spectrum 999 = 0.00354849279137
See also
Algorithms EstimateDivergence v1, CalibrateRectangularDetectors v1 and GetDetOffsetsMultiPeaks v1
Categories: Algorithm Index | Diffraction\Utility
C++ source: EstimateResolutionDiffraction.cpp (last modified: 2019-01-08)
C++ header: EstimateResolutionDiffraction.h (last modified: 2018-10-05)