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ConvertWANDSCDtoQ v1¶

Summary ¶

Convert the output of LoadWANDSCD to Q or HKL

Properties ¶

Name	Direction	Type	Default	Description
InputWorkspace	Input	IMDHistoWorkspace	Mandatory	Input Workspace
NormalisationWorkspace	Input	IMDHistoWorkspace		Workspace to use for normalisation
UBWorkspace	Input	Workspace		Workspace containing the UB matrix to use
BackgroundWorkspace	Input	IMDHistoWorkspace		An optional Background Workspace
Wavelength	Input	number	1.488	Wavelength to set the workspace
S1Offset	Input	number	0	Offset to apply (in degrees) to the s1 of the input workspace
NormaliseBy	Input	string	Monitor	Normalise to monitor, time or None. Allowed values: [‘None’, ‘Time’, ‘Monitor’]
Frame	Input	string	Q_sample	Selects Q-dimensions of the output workspace. Allowed values: [‘Q_sample’, ‘HKL’]
Uproj	Input	dbl list	1,0,0	Defines the first projection vector of the target Q coordinate system in HKL mode
Vproj	Input	dbl list	0,1,0	Defines the second projection vector of the target Q coordinate system in HKL mode
Wproj	Input	dbl list	0,0,1	Defines the third projection vector of the target Q coordinate system in HKL mode
BinningDim0	Input	dbl list	-8.02,8.02,401	Binning parameters for the 0th dimension. Enter it as acomma-separated list of values with theformat: ‘minimum,maximum,number_of_bins’.
BinningDim1	Input	dbl list	-0.82,0.82,41	Binning parameters for the 1st dimension. Enter it as acomma-separated list of values with theformat: ‘minimum,maximum,number_of_bins’.
BinningDim2	Input	dbl list	-8.02,8.02,401	Binning parameters for the 2nd dimension. Enter it as acomma-separated list of values with theformat: ‘minimum,maximum,number_of_bins’.
KeepTemporaryWorkspaces	Input	boolean	False	If True the normalization and data workspaces in addition to the normalized data will be outputted
ObliquityParallaxCoefficient	Input	number	1	Geometrical correction for shift in vertical beam position due to wide beam.
SymmetryOperations	Input	string		Space Group name, Point Group name, or list individual Symmetries used to perform the symmetrization
TemporaryDataWorkspace	Input	IMDHistoWorkspace		An (optional) input MDHistoWorkspace used to accumulate data from multiple MDEventWorkspaces.If unspecified a blank MDHistoWorkspace will be created
TemporaryNormalizationWorkspace	Input	IMDHistoWorkspace		An (optional) input MDHistoWorkspace used to accumulate normalization data from multiple MDEventWorkspaces.If unspecified a blank MDHistoWorkspace will be created
TemporaryBackgroundDataWorkspace	Input	IMDHistoWorkspace		An (optional) input MDHistoWorkspace used to accumulate background data from multiple MDEventWorkspaces.If unspecified but BackgroundWorkspace is specified, a blank MDHistoWorkspace will be created
TemporaryBackgroundNormalizationWorkspace	Input	IMDHistoWorkspace		An (optional) input MDHistoWorkspace used to accumulate background normalization data from multiple MDEventWorkspaces.If unspecified but BackgroundWorkspace is specified, a blank MDHistoWorkspace will be created
OutputDataWorkspace	Input	string		Name for the Output Data Workspace
OutputNormalizationWorkspace	Input	string		Name for the Output Normalization Workspace
OutputBackgroundDataWorkspace	Input	string		Name for the Output Background Workspace
OutputBackgroundNormalizationWorkspace	Input	string		Name for the Output Background Normalization Workspace
OutputWorkspace	Output	Workspace	Mandatory	Output Workspace

This algorithm will convert the output of LoadWANDSCD v1 in either Q or HKL space. FindPeaksMD v1 can be run on the output Q sample space, then the UB can be found and used to then convert to HKL. The default binning ranges are good for converting to Q sample with the default wavelength.

This algorithm will also work for data from DEMAND (HB3A).

The normalization is calculated in the same way as MDNormSCD v1 but with the solid angle and flux coming from the NormalisationWorkspace, normally vanadium. A brief introduction to the multi-dimensional data normalization can be found here.

If a background workspace is provided, it will be used to calculate the Output Workspace in the same manner as MDNorm

When converting to HKL it will use the UB matrix from the UBWorkspace if provided otherwise it will use the UB matrix from the InputWorkspace. Uproj, Vproj and Wproj are only used when converting to HKL Frame.

If the KeepTemporaryWorkspaces option is True the data and the normalization in addition to the nomalized data will be outputted. This allows you to run separate instances of ConvertWANDSCDtoQ and combine the results. They will have names “ws_data” and “ws_normalization” respectively. If a background workspace is provided, “ws_background_data” and “ws_background_normalization” will also be outputted.

If a temporary workspace is provided for data, normalization, background data, or background normalization, KeepTemporaryWorkspaces will be assumed ‘True’ and the provided workspace will accumulate the results. If an output name is provided along with a temporary workspace for any of these workspaces, the name will only be applied to the outputted workspace and not the temporary accumulated workspace.

If SymmetryOperations are provided, the output workspace will be the sum of each Symmetry Operation applied to the input workspace. More information about Symmetry Operations can be found here

Usage ¶

Convert to Q

# Load Data and normalisation
LoadWANDSCD(IPTS=7776, RunNumbers=26509, OutputWorkspace='norm',Grouping='4x4') # Vanadium
LoadWANDSCD(IPTS=7776, RunNumbers='26640-27944', OutputWorkspace='data',Grouping='4x4')
ConvertWANDSCDtoQ(InputWorkspace='data',
                  NormalisationWorkspace='norm',
                  OutputWorkspace='Q',
                  BinningDim1='-1,1,1')

# Plot workspace
import matplotlib.pyplot as plt
from mantid import plots
fig, ax = plt.subplots(subplot_kw={'projection':'mantid'})
c = ax.pcolormesh(mtd['Q'], vmax=1)
cbar=fig.colorbar(c)
cbar.set_label('Intensity (arb. units)')
#fig.savefig('ConvertWANDSCDtoQ_Q.png')

Output:

Convert to HKL

# Load Data and normalisation
LoadWANDSCD(IPTS=7776, RunNumbers=26509, OutputWorkspace='norm',Grouping='4x4') # Vanadium
LoadWANDSCD(IPTS=7776, RunNumbers='26640-27944', OutputWorkspace='data',Grouping='4x4')
SetUB('data', UB='0,0.1770619741,-0.00927942487,0.177304965,0,0,0,-0.00927942487,-0.177061974')
ConvertWANDSCDtoQ(InputWorkspace='data',
                  NormalisationWorkspace='norm',
                  OutputWorkspace='HKL',
                  Frame='HKL',
                  BinningDim0='-1,1,1',
                  BinningDim1='-2.02,7.02,226',
                  BinningDim2='-6.52,2.52,226')

# Plot workspace
import matplotlib.pyplot as plt
from mantid import plots
fig, ax = plt.subplots(subplot_kw={'projection':'mantid'})
c = ax.pcolormesh(mtd['HKL'], vmax=1)
cbar=fig.colorbar(c)
cbar.set_label('Intensity (arb. units)')
#fig.savefig('ConvertWANDSCDtoQ_HKL.png')

Output:

Categories: AlgorithmIndex | DataHandling\Nexus

Source ¶

Python: ConvertWANDSCDtoQ.py

ConvertWANDSCDtoQ v1¶

Summary ¶

See Also ¶

Properties ¶

Description ¶

Usage ¶

Source ¶

ConvertWANDSCDtoQ v1¶

Summary¶

See Also¶

Properties¶

Description¶

Usage¶

Source¶

Summary ¶

See Also ¶

Properties ¶

Description ¶

Usage ¶

Source ¶