Bin2DPowderDiffraction v1¶
Summary¶
Bins TOF powder diffraction event data in 2D space.
See Also¶
Properties¶
Name |
Direction |
Type |
Default |
Description |
---|---|---|---|---|
InputWorkspace |
Input |
Mandatory |
An input EventWorkspace must be a Histogram workspace, not Point data. X-axis units must be wavelength. |
|
OutputWorkspace |
Output |
Mandatory |
An output workspace. |
|
dSpaceBinning |
Input |
dbl list |
A comma separated list of first bin boundary, width, last bin boundary. Optionally this can be followed by a comma and more widths and last boundary pairs. Negative width values indicate logarithmic binning. |
|
dPerpendicularBinning |
Input |
dbl list |
A comma separated list of first bin boundary, width, last bin boundary. Optionally this can be followed by a comma and more widths and last boundary pairs. Negative width values indicate logarithmic binning. |
|
BinEdgesFile |
Input |
string |
Optional: The ascii file containing the list of bin edges. Either this or Axis1- and dPerpendicularBinning need to be specified. Allowed extensions: [‘.txt’, ‘.dat’] |
|
NormalizeByBinArea |
Input |
boolean |
True |
Normalize the binned workspace by the bin area. |
Description¶
This algorithm performs binning of the given workspace in
The result is that a Matrix workspace is created. If
Warning
The information about correspondence of spectra to detectors is lost in the produced OutputWorkspace.
Applying any algorithms like ConvertUnits v1, which require information about
Restrictions on the input workspace¶
X-axis must have the wavelength units.
Only Histograms can be handled.
Only EventWorkspaces are supported for the moment.
The input workspace must have an instrument set.
The input workspace must have a Spectrum axis as a Y-axis.
Binning parameters¶
Either dSpaceBinning and dPerpendicularBinning or BinEdgesFile must be specified, but not both. dSpaceBinning contains binning parameters in d-Spacing. dPerpendicularBinning contains binning parameters in d-SpacingPerpendicular. Binning parameters should be set the same way as for Rebin v1 algorithm.
In the case if non-equidistant binning is required, bin edges can be specified in the BinEdgesFile.
BinEdgesFile¶
BinEdgesFile is an ascii-file, where the bin edges are specified in a following format.
The first 2 lines contain header:
#dp_min #dp_max
#d_bins
Then follows the line dp =
#dp_min #dp_max
#d_bins
dp = 3.0 4.0
1.0 3.0 6.0
dp = 4.0 4.5
2.0 4.0 5.15 6.0
In this example the following bin edges are specified for the
Usage¶
Example - Bin2DPowderDiffraction
# Create an input workspace
wsIn = CreateSampleWorkspace(WorkspaceType="Event", Function="Powder Diffraction",
NumBanks=1, XUnit="Wavelength", NumEvents=10,
XMin=1.0, XMax=6.0, BinWidth=1.0)
# Move detector to get reasonable 2theta
MoveInstrumentComponent(wsIn, 'bank1', X=1,Y=0,Z=1, RelativePosition=False)
# Do binning
wsOut = Bin2DPowderDiffraction(wsIn, dSpaceBinning="2,2,6", dPerpendicularBinning="1,2,5", NormalizeByBinArea=False)
# Do binning and normalize the result by bin area
wsOutNorm = Bin2DPowderDiffraction(wsIn, dSpaceBinning="2,2,6", dPerpendicularBinning="1,2,5", NormalizeByBinArea=True)
# Print the result
print("Y values without normalization:")
print(wsOut.extractY())
print("Y values with normalization by bin area:")
print(wsOutNorm.extractY())
Output:
Y values without normalization:
[[... ...]
[ ... ...]]
Y values with normalization by bin area:
[[... ...]
[ ... ...]]
References¶
More details on the multidimensional TOF powder diffraction data reduction can be found in the following papers.
P. Jacobs, A. Houben, W. Schweika, A. L. Tchougréeff and R. Dronskowski, A Rietveld refinement method for angular- and wavelength-dispersive neutron time-of-flight powder diffraction data, J. Appl. Cryst. (2015) 48, 1627-1636 doi: 10.1107/S1600576715016520
P. Jacobs, A. Houben, W. Schweika, A. L. Tchougréeff and R. Dronskowski, Instrumental resolution as a function of scattering angle and wavelength as exemplified for the POWGEN instrument, J. Appl. Cryst. (2017) 50, 866-875. doi: 10.1107/S1600576717005398
Categories: AlgorithmIndex | Diffraction\Focussing
Source¶
C++ header: Bin2DPowderDiffraction.h
C++ source: Bin2DPowderDiffraction.cpp