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SANSILLAutoProcess v1¶

Summary ¶

Performs complete SANS data reduction at the ILL.

Properties ¶

Name	Direction	Type	Default	Description
OutputWorkspace	Output	WorkspaceGroup	Mandatory	The output workspace group containing reduced data.
SampleRuns	Input	list of str lists		Sample run(s). Allowed values: [‘nxs’]
AbsorberRuns	Input	list of str lists		Absorber (Cd/B4C) run(s). Allowed values: [‘nxs’]
BeamRuns	Input	list of str lists		Empty beam run(s). Allowed values: [‘nxs’]
FluxRuns	Input	list of str lists		Empty beam run(s) for flux calculation only; if left blank flux will be calculated from BeamRuns. Allowed values: [‘nxs’]
ContainerRuns	Input	list of str lists		Empty container run(s). Allowed values: [‘nxs’]
SampleTransmissionRuns	Input	list of str lists		Sample transmission run(s). Allowed values: [‘nxs’]
ContainerTransmissionRuns	Input	list of str lists		Container transmission run(s). Allowed values: [‘nxs’]
TransmissionBeamRuns	Input	list of str lists		Empty beam run(s) for transmission. Allowed values: [‘nxs’]
TransmissionAbsorberRuns	Input	list of str lists		Absorber (Cd/B4C) run(s) for transmission. Allowed values: [‘nxs’]
ThetaDependent	Input	boolean	True	Whether or not to use 2theta dependent transmission correction
SensitivityMaps	Input	string		File(s) or workspaces containing the maps of relative detector efficiencies.
DefaultMaskFile	Input	string		File or workspace containing the default mask (typically the detector edges and dead pixels/tubes) to be applied to all the detector configurations.
MaskFiles	Input	string		File(s) or workspaces containing the detector mask (typically beam stop).
ReferenceFiles	Input	string		File(s) or workspaces containing the corrected water data (in 2D) for absolute normalisation.
SolventFiles	Input	string		File(s) or workspaces containing the corrected solvent data (in 2D) for solvent subtraction.
SensitivityOutputWorkspace	Output	MatrixWorkspace		The output sensitivity map workspace.
NormaliseBy	Input	string	Timer	Choose the normalisation type. Allowed values: [‘None’, ‘Timer’, ‘Monitor’]
SampleThickness	Input	number	0.1	Sample thickness [cm]
TransmissionBeamRadius	Input	number	0.1	Beam radius [m]; used for transmission calculations.
BeamRadius	Input	dbl list	0.1	Beam radius [m]; used for beam center finding and flux calculations.
WaterCrossSection	Input	number	1	Provide water cross-section; used only if the absolute scale is done by dividing to water.
MaxQxy	Input	dbl list	-1	Maximum of absolute Qx and Qy.
DeltaQ	Input	dbl list	-1	The dimension of a Qx-Qy cell.
OutputPanels	Input	boolean	False	Whether or not process the individual detector panels.
OutputType	Input	string	I(Q)	Choose the output type. Allowed values: [‘I(Q)’, ‘I(Qx,Qy)’, ‘I(Phi,Q)’]
CalculateResolution	Input	string	None	Choose to calculate the Q resolution. Allowed values: [‘MildnerCarpenter’, ‘DirectBeam’, ‘None’]
DefaultQBinning	Input	string	PixelSizeBased	Choose how to calculate the default Q binning. Allowed values: [‘PixelSizeBased’, ‘ResolutionBased’]
BinningFactor	Input	number	1	Specify a multiplicative factor for default Q binning (pixel or resolution based).
NPixelDivision	Input	number	1	Number of subpixels to split the pixel (NxN)
NumberOfWedges	Input	number	0	Number of wedges to integrate separately.
WedgeAngle	Input	number	30	Wedge opening angle [degrees].
WedgeOffset	Input	number	0	Wedge offset angle from x+ axis.
AsymmetricWedges	Input	boolean	False	Whether to have asymmetric wedges.
IQxQyLogBinning	Input	boolean	False	I(Qx, Qy) log binning when binning is not specified.
WavelengthRange	Input	dbl list	1,10	Wavelength range [Angstrom] to be used in integration (TOF only).
OutputBinning	Input	string		Output binning for each distance. : separated list of binning params.
ClearCorrected2DWorkspace	Input	boolean	True	Whether to clear the fully corrected 2D workspace.
SensitivityWithOffsets	Input	boolean	False	Whether the sensitivity data has been measured with different horizontal offsets.
StitchReferenceIndex	Input	number	1	Index of reference workspace during stitching.
ShapeTable	Input	TableWorkspace		The name of the table workspace containing drawn shapes on which to integrate. If provided, NumberOfWedges, WedgeOffset and WedgeAngle arguments are ignored.
Wavelength	Input	number	0	Wavelength set for the data, will override nexus, intended for D16 reduction.

This algorithms performs complete treatment of SANS data recorded with the ILL instruments D11, D22 and D33. This high level algorithm steers the reduction and performs the full set of corrections for a given sample run; measured with one or more detector distances.

The sample measurement will be corrected for all the effects and converted to Q-space, producing by default the azimuthal average curve \(I(Q)\). One can use water reference measurement in order to derive the relative inter-pixel sensitivity map of the detector or the reduced water data for absolute normalisation of the subsequent samples. The regular output will contain fully corrected water run, and there will be an additional output containing the sensitivity map itself. The sensitivity map, as well as reduced water can be saved out to a file and used for sample reductions.

OutputBinning ¶

This property can be used to set manual q-binning parameters per detector distance/configuration. This accepts a string, which must be : delimited sets of binning parameters per distance. The reason it is a string, is that at a given configuration the parameters set can be composed of , separated values (such as start, width, end). In fact, it could be even more complicated. See the semantics in SANSILLIntegration. If one parameter set is provided, i.e. there is no :, the same parameter set will be used for all the detector distances/configurations.

Caching with ADS ¶

This algorithm does not clean-up the intermediate workspaces after execution. This is done intentionally for performance reasons. For example, once the transmission of a sample is calculated, it will be reused for further iterations of processing of the same sample at different detector distances. As other example, once the container is processed at a certain distance, it will be reused for all the subsequent samples measured at the same distance, if the container run is the same. The same caching is done for absorber, empty beam, container, sensitivity and mask workspaces. The caching relies on Analysis Data Service (ADS) through naming convention by appending the relevant process name to the run number. When multiple runs are summed, the run number of the first run is attributed to the summed workspace name.

Note

To run these usage examples please first download the usage data, and add these to your path. In Mantid this is done using Manage User Directories.

Example - full treatment of 3 samples at 3 different distances in D11

beams = '2866,2867+2868,2878'
containers = '2888+2971,2884+2960,2880+2949'
container_tr = '2870+2954'
beam_tr = '2867+2868'
samples = ['2889,2885,2881',
           '2887,2883,2879',
           '3187,3177,3167']
sample_tr = ['2871', '2869', '3172']
thick = [0.1, 0.2, 0.2]

# reduce samples
for i in range(len(samples)):
    SANSILLAutoProcess(
        SampleRuns=samples[i],
        BeamRuns=beams,
        ContainerRuns=containers,
        MaskFiles='mask1.nxs,mask2.nxs,mask3.nxs',
        SensitivityMaps='sens-lamp.nxs',
        SampleTransmissionRuns=sample_tr[i],
        ContainerTransmissionRuns=container_tr,
        TransmissionBeamRuns=beam_tr,
        SampleThickness=thick[i],
        OutputWorkspace='iq_s' + str(i + 1)
    )

print('Distance 1 Q-range:{0:4f}-{1:4f} AA'.format(mtd['iq_s1_#1_d39.0m_c40.5m_w5.6A'].readX(0)[0],
                                                   mtd['iq_s1_#1_d39.0m_c40.5m_w5.6A'].readX(0)[-1]))
print('Distance 2 Q-range:{0:4f}-{1:4f} AA'.format(mtd['iq_s1_#2_d8.0m_c8.0m_w5.6A'].readX(0)[0],
                                                   mtd['iq_s1_#2_d8.0m_c8.0m_w5.6A'].readX(0)[-1]))
print('Distance 3 Q-range:{0:4f}-{1:4f} AA'.format(mtd['iq_s1_#3_d2.0m_c5.5m_w5.6A'].readX(0)[0],
                                                   mtd['iq_s1_#3_d2.0m_c5.5m_w5.6A'].readX(0)[-1]))

Output:

Distance 1 Q-range:0.001350-0.020028 AA
Distance 2 Q-range:0.007625-0.092061 AA
Distance 3 Q-range:0.032571-0.343635 AA

Example 2 - full treatment of 5 samples in D33

from mantid.simpleapi import *
import matplotlib.pyplot as plt

config.setFacility('ILL')
config['default.instrument'] = 'D33'
config.appendDataSearchSubDir('ILL/D33/')

absorber = '002227'

tr_beam = '002192'

can_tr = '002193'

empty_beam = '002219'

can = '002228'

mask = 'D33Mask2.nxs'

sample_names = ['H2O', 'D2O', 'AgBE', 'F127_D2O', 'F127_D2O_Anethol']
sample_legends = ['H$_2$O', 'D$_2$O', 'AgBE', 'F127 D$_2$O', 'F127 D$_2$O Anethol']

samples = ['002229', '001462', '001461', '001463', '001464']

transmissions = ['002194', '002195', '', '002196', '002197']

# Autoprocess every sample
for i in range(len(samples)):
    SANSILLAutoProcess(
        SampleRuns=samples[i],
        SampleTransmissionRuns=transmissions[i],
        MaskFiles=mask,
        AbsorberRuns=absorber,
        BeamRuns=empty_beam,
        ContainerRuns=can,
        ContainerTransmissionRuns=can_tr,
        TransmissionBeamRuns=tr_beam,
        CalculateResolution='None',
        OutputWorkspace=sample_names[i]
    )

fig, ax = plt.subplots(subplot_kw={'projection':'mantid'})

plt.yscale('log')
plt.xscale('log')

# Plot the result of every autoprocess
for wName in sample_names:
    ax.errorbar(mtd[wName][0])

plt.legend(sample_legends)
ax.set_ylabel('d$\sigma$/d$\Omega$ ($cm^{-1}$)')

#fig.show()

(Source code, png, hires.png, pdf)

Categories: AlgorithmIndex | ILL\SANS | ILL\Auto

Source ¶

Python: SANSILLAutoProcess.py

SANSILLAutoProcess v1¶

Summary ¶

See Also ¶

Properties ¶

Description ¶

OutputBinning ¶

Caching with ADS ¶

Source ¶

SANSILLAutoProcess v1¶

Summary¶

See Also¶

Properties¶

Description¶

OutputBinning¶

Caching with ADS¶

Source¶

Summary ¶

See Also ¶

Properties ¶

Description ¶

OutputBinning ¶

Caching with ADS ¶

Source ¶