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PelicanReduction v1

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Summary

Performs an inelastic energy transfer reduction for ANSTO Pelican geometry data.

Properties

Name

Direction

Type

Default

Description

SampleRuns

Input

str list

Mandatory

Optional cycle number followed by comma separated range of sample runs as [cycle::] n1,n2,.. eg 123::7333-7341,7345

EmptyRuns

Input

string

Optional cycle number followed by comma separated range of runs as [cycle::] n1,n2,.. eg 123::6300-6308

ScaleEmptyRuns

Input

number

1

Scale the empty runs prior to subtraction

CalibrationRuns

Input

string

Optional cycle number followed by comma separated range of runs as [cycle::] n1,n2,.. eg 123::6350-6365

EmptyCalibrationRuns

Input

string

Optional cycle number followed by comma separated range of runs as [cycle::] n1,n2,.. eg 123::6370-6375

EnergyTransfer

Input

string

0.0, 0.02, 3.0

Energy transfer range in meV expressed as min, step, max

MomentumTransfer

Input

string

Momentum transfer range in inverse Angstroms, expressed as min, step, max Default estimates the max range based on energy transfer.

Processing

Input

string

SOFQW1-Centre

Convert to SOFQW or save file as NXSPE, note SOFQW3 is more accurate but much slower than SOFQW1. Allowed values: [‘SOFQW1-Centre’, ‘SOFQW3-NormalisedPolygon’, ‘NXSPE’]

LambdaOnTwoMode

Input

boolean

False

Set if instrument running in lambda on two mode.

FrameOverlap

Input

boolean

False

Set if the energy transfer extends over a frame.

CalibrateTOF

Input

boolean

False

Determine the TOF correction from the elastic peak in the data.

TOFCorrection

Input

string

The TOF correction in usec that aligns the elastic peak.

AnalyseTubes

Input

string

Detector tubes to be used in the data analysis.

MaxEnergyGain

Input

string

Energy gain in meV used to adjust the min TOF with frame overlap.

OutputWorkspace

Output

Workspace

Mandatory

Name for the reduced workspace.

ScratchFolder

Input

string

Path to save and restore merged workspaces.

KeepIntermediateWorkspaces

Input

boolean

False

Whether to keep the intermediate sample and calibration workspaces for diagnostic checks.

ConfigurationFile

Input

string

Optional: INI file to override default processing values. Allowed values: [‘ini’]

Description

Reduces the data from the Pelican instrument from time of flight versus two theta to S(Q,w). Data can be corrected for background with an empty can subtraction and normalised to vanadium (both optional). Output can be for a powder S(Q,w) or for a single crystal S(Q,w) in the latter case an nxspe file is written. Data can be processed for the specified region of Q and w space. Data can also be processed for the lamda/2 option for Pelican. As a default the output for a powder also includes the Q integrated data S(ω) and the energy integrated data S(Q).

The portion of the detector that is used is defined in the config file. A frame overlap option is also available, where for low temperature data, a portion of the neutron energy gain spectrum can be used to extend the range of the neutron energy loss side.

Workflow

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Usage

test = PelicanReduction('44464', EnergyTransfer='-2,0.05,2', MomentumTransfer='0,0.05,2', ConfigurationFile='pelican_doctest.ini')
print('Workspaces in group = {}'.format(test.getNumberOfEntries()))
gp = test.getNames()
print('First workspace: {}'.format(gp[0]))
Workspaces in group = 3
First workspace: test_qw1_1D_dE

References

Source

Python: PelicanReduction.py

Categories: AlgorithmIndex | Workflow\Inelastic | Inelastic | Inelastic\Reduction