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SANSILLAutoProcess v1

../_images/SANSILLAutoProcess-v1_dlg.png

SANSILLAutoProcess dialog.

Summary

Performs complete SANS data reduction at the ILL.

See Also

SANSILLReduction, SANSILLIntegration

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.

Description

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)

../_images/SANSILLAutoProcess-v1-1.png

Categories: AlgorithmIndex | ILL\SANS | ILL\Auto

Source

Python: SANSILLAutoProcess.py