Table of Contents
Algorithm to focus powder diffraction data into a number of histograms according to a grouping scheme defined in a CalFile.
Name | Direction | Type | Default | Description |
---|---|---|---|---|
InputWorkspace | Input | MatrixWorkspace | Mandatory | The input workspace |
OutputWorkspace | Output | MatrixWorkspace | Mandatory | The result of diffraction focussing of InputWorkspace |
CalFileName | Input | string | The name of the CalFile with offset, masking, and grouping data. Allowed extensions: [‘.h5’, ‘.hd5’, ‘.hdf’, ‘.cal’] | |
GroupingWorkspace | InOut | GroupingWorkspace | Optional: A GroupingWorkspace giving the grouping info. | |
CalibrationWorkspace | InOut | TableWorkspace | Optional: A Workspace containing the calibration information. Either this or CalibrationFile needs to be specified. | |
OffsetsWorkspace | Input | OffsetsWorkspace | Optional: An OffsetsWorkspace giving the detector calibration values. | |
MaskWorkspace | InOut | MaskWorkspace | Optional: A workspace giving which detectors are masked. | |
MaskBinTable | Input | TableWorkspace | Optional: A workspace giving pixels and bins to mask. | |
Params | 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. | |
ResampleX | Input | number | 0 | Number of bins in x-axis. Non-zero value overrides “Params” property. Negative value means logorithmic binning. |
Dspacing | Input | boolean | True | Bin in Dspace. (True is Dspace; False is TOF) |
DMin | Input | dbl list | Minimum for Dspace axis. (Default 0.) | |
DMax | Input | dbl list | Maximum for Dspace axis. (Default 0.) | |
TMin | Input | number | Optional | Minimum for TOF axis. Defaults to 0. |
TMax | Input | number | Optional | Maximum for TOF or dspace axis. Defaults to 0. |
PreserveEvents | Input | boolean | True | If the InputWorkspace is an EventWorkspace, this will preserve the full event list (warning: this will use much more memory!). |
RemovePromptPulseWidth | Input | number | 0 | Width of events (in microseconds) near the prompt pulse to remove. 0 disables |
CompressTolerance | Input | number | 0.01 | Compress events (in microseconds) within this tolerance. (Default 0.01) |
UnwrapRef | Input | number | 0 | Reference total flight path for frame unwrapping. Zero skips the correction |
LowResRef | Input | number | 0 | Reference DIFC for resolution removal. Zero skips the correction |
CropWavelengthMin | Input | number | 0 | Crop the data at this minimum wavelength. Overrides LowResRef. |
CropWavelengthMax | Input | number | Optional | Crop the data at this maximum wavelength. Forces use of CropWavelengthMin. |
PrimaryFlightPath | Input | number | -1 | If positive, focus positions are changed. (Default -1) |
SpectrumIDs | Input | int list | Optional: Spectrum IDs (note that it is not detector ID or workspace indices). | |
L2 | Input | dbl list | Optional: Secondary flight (L2) paths for each detector | |
Polar | Input | dbl list | Optional: Polar angles (two thetas) for detectors | |
Azimuthal | Input | dbl list | Azimuthal angles (out-of-plain) for detectors | |
LowResSpectrumOffset | Input | number | -1 | Offset on spectrum ID of low resolution spectra from high resolution one. If negative, then all the low resolution TOF will not be processed. Otherwise, low resolution TOF will be stored in an additional set of spectra. If offset is equal to 0, then the low resolution will have same spectrum IDs as the normal ones. Otherwise, the low resolution spectra will have spectrum IDs offset from normal ones. |
ReductionProperties | Input | string | __powdereduction |
This is a workflow algorithm that does the bulk of the work for time focusing diffraction data. This is done by executing several sub-algorithms as listed below.
Example: A simple Powgen example
The files needed for this example are not present in our standard usage data download due to their size. They can however be downloaded using these links: PG3_9830_event.nxs and pg3_mantid_det.cal.
You will have to rename pg3_mantid_det.cal manually, as its name in the link above is a list of random characters.
PG3_9830_event = Load('PG3_9830_event.nxs')
PG3_9830_event = AlignAndFocusPowder(PG3_9830_event,
CalFileName='pg3_mantid_det.cal', Params='100')
Categories: Algorithms | Workflow\Diffraction