Table of Contents
The algorithm used for reduction of powder diffraction data obtained on SNS instruments (e.g. PG3)
Name | Direction | Type | Default | Description |
---|---|---|---|---|
Instrument | Input | string | PG3 | Powder diffractometer’s name. Allowed values: [‘NOM’, ‘BSS’, ‘SNAP’, ‘CNCS’, ‘VULCAN’, ‘CORELLI’, ‘PG3’, ‘MANDI’, ‘TOPAZ’, ‘VIS’, ‘SEQ’, ‘ARCS’] |
RunNumber | Input | int list | 0 | Number of sample run or 0 for only Vanadium and/or Background |
Extension | Input | string | _event.nxs | Allowed extensions: [‘_histo.nxs’, ‘_event.nxs’, ‘_runinfo.xml’, ‘.nxs.h5’] |
PreserveEvents | Input | boolean | True | Argument to supply to algorithms that can change from events to histograms. |
Sum | Input | boolean | False | Sum the runs. Does nothing for characterization runs |
PushDataPositive | Input | string | None | Add a constant to the data that makes it positive over the whole range. Allowed values: [‘None’, ‘ResetToZero’, ‘AddMinimum’] |
BackgroundNumber | Input | int list | 0 | If specified overrides value in CharacterizationRunsFile If -1 turns off correction. |
VanadiumNumber | Input | int list | 0 | If specified overrides value in CharacterizationRunsFile. If -1 turns off correction. |
VanadiumBackgroundNumber | Input | int list | 0 | If specified overrides value in CharacterizationRunsFile. If -1 turns off correction. |
CalibrationFile | Input | string | Mandatory | Allowed extensions: [‘.h5’, ‘.hd5’, ‘.hdf’, ‘.cal’] |
CharacterizationRunsFile | Input | string | File with characterization runs denoted. Allowed values: [‘txt’] | |
ExpIniFilename | Input | string | Allowed extensions: [‘.ini’] | |
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 | 0 | Crop the data at this maximum wavelength. Forces use of CropWavelengthMin. |
RemovePromptPulseWidth | Input | number | 0 | Width of events (in microseconds) near the prompt pulse to remove. 0 disables |
MaxChunkSize | Input | number | 0 | Specify maximum Gbytes of file to read in one chunk. Default is whole file. |
FilterCharacterizations | Input | boolean | False | Filter the characterization runs using above parameters. This only works for event files. |
Binning | Input | dbl list | 0,0,0 | Positive is linear bins, negative is logorithmic |
ResampleX | Input | number | 0 | Number of bins in x-axis. Non-zero value overrides “Params” property. Negative value means logorithmic binning. |
BinInDspace | Input | boolean | True | If all three bin parameters a specified, whether they are in dspace (true) or time-of-flight (false) |
StripVanadiumPeaks | Input | boolean | True | Subtract fitted vanadium peaks from the known positions. |
VanadiumFWHM | Input | number | 7 | Default=7 |
VanadiumPeakTol | Input | number | 0.05 | How far from the ideal position a vanadium peak can be during StripVanadiumPeaks. Default=0.05, negative turns off |
VanadiumSmoothParams | Input | string | 20,2 | Default=20,2 |
VanadiumRadius | Input | number | 0.3175 | Radius for MultipleScatteringCylinderAbsorption |
BackgroundSmoothParams | Input | string | Default=off, suggested 20,2 | |
FilterBadPulses | Input | number | 95 | Filter out events measured while proton charge is more than 5% below average |
ScaleData | Input | number | 1 | Constant to multiply the data before writing out. This does not apply to PDFgetN files. |
SaveAs | Input | string | gsas | List of all output file types. Allowed values are ‘fullprof’, ‘gsas’, ‘nexus’, ‘pdfgetn’, and ‘topas’ |
OutputFilePrefix | Input | string | Overrides the default filename for the output file (Optional). | |
OutputDirectory | Input | string | Mandatory | |
FinalDataUnits | Input | string | dSpacing | Allowed values: [‘dSpacing’, ‘MomentumTransfer’] |
SplittersWorkspace | Input | TableWorkspace | Splitters workspace for split event workspace. | |
SplitInformationWorkspace | Input | TableWorkspace | Name of table workspace containing information for splitters. | |
LowResolutionSpectraOffset | Input | number | -1 | If larger and equal to 0, then process low resolution TOF and offset is the spectra number. Otherwise, ignored. |
NormalizeByCurrent | Input | boolean | True | Normalize by current |
CompressTOFTolerance | Input | number | 0.01 | Tolerance to compress events in TOF. |
FrequencyLogNames | Input | str list | SpeedRequest1,Speed1,frequency | Possible log names for frequency. |
WaveLengthLogNames | Input | str list | LambdaRequest,lambda | Candidate log names for wave length. |
Filter wall is enabled by setting FilterCharacterizations property to true. Then the _getTimeFilterWall routine is used to build the filter wall from the data defined by SplitInformationWorkspace and SplittersWorkspace properties. Time filter wall is used in _loadData to load data in a certain range of time. Here is how the filter is used:
This is a worksflow algorithm used to process and the results of scattering experimens on powders on SNS instruments. Its usage sample can be found in Mantid System tests repository.
Categories: Algorithms | Diffraction\Reduction
Python: SNSPowderReduction.py