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mantidproject
mantid
Commits
f2d74572
Commit
f2d74572
authored
10 years ago
by
Dan Nixon
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Updated documentation for modified tabs
Refs #11326
parent
2d97a4a2
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Code/Mantid/docs/source/interfaces/Indirect_DataAnalysis.rst
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77 additions, 57 deletions
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Code/Mantid/docs/source/interfaces/Indirect_DataAnalysis.rst
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f2d74572
...
...
@@ -127,9 +127,6 @@ Plot Spectrum
Spectra Range
The spectra range over which to perform sequential fitting.
Verbose
Enables outputting additional information to the Results Log.
Plot Result
If enabled will plot the result as a spectra plot.
...
...
@@ -164,9 +161,6 @@ SampleBinning
The ratio at which to decrease the number of bins by through merging of
intensities from neighbouring bins.
Verbose
Enables outputting additional information to the Results Log.
Plot Result
If enabled will plot the result as a spectra plot.
...
...
@@ -326,9 +320,6 @@ Plot Spectrum
Spectra Range
The spectra range over which to perform sequential fitting.
Verbose
Enables outputting additional information to the Results Log.
Plot Output
Allows plotting spectra plots of fitting parameters, the options available
will depend on the type of fit chosen.
...
...
@@ -401,9 +392,6 @@ Plot Spectrum
Spectra Range
The spectra range over which to perform sequential fitting.
Verbose
Enables outputting additional information to the Results Log.
Plot Output
Allows plotting spectra plots of fitting parameters, the options available
will depend on the type of fit chosen.
...
...
@@ -506,13 +494,12 @@ References:
Calculate Corrections
---------------------
.. warning:: This interface is only available on Windows
.. interface:: Data Analysis
:widget: tabCalcCorr
Calculates absorption corrections that could be applied to the data when given
information about the sample (and optionally can) geometry.
Calculates absorption corrections in the Paalman & Pings absorption factors that
could be applied to the data when given information about the sample (and
optionally can) geometry.
Options
~~~~~~~
...
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@@ -527,16 +514,18 @@ Use Can
\omega)` file (*_sqw.nxs*) or workspace (*_sqw*).
Sample Shape
Sets the shape of the sample, this affects the options for the s
ampl
e details
,
see below.
Sets the shape of the sample, this affects the options for the s
hap
e details
(
see below
)
.
Beam Width
Width
of the
incident beam
.
Sample/Can Number Density
Density
of the
sample or container
.
Verbose
Enables outputting additional information to the Results Log.
Sample/Can Chemical Formula
Chemical formula of the sample or can material. This must be provided in the
format expected by the :ref:`SetSampleMaterial <algm-SetSampleMaterial>`
algorithm.
Plot
Resul
t
Plot
Outpu
t
Plots the :math:`A_{s,s}`, :math:`A_{s,sc}`, :math:`A_{c,sc}` and
:math:`A_{c,c}` workspaces as spectra plots.
...
...
@@ -544,60 +533,74 @@ Save Result
If enabled the result will be saved as a NeXus file in the default save
directory.
S
ampl
e Details
~~~~~~~~~~~~~
~
S
hap
e Details
~~~~~~~~~~~~~
Depending on the shape of the sample different parameters for the sample
dimension are required and are detailed below.
Flat
####
Flat
Plate
####
######
.. interface:: Data Analysis
:widget: p
age
Flat
:widget: p
g
Flat
Plate
Thickness
The calculation for a flat plate geometry is performed by the
:ref:`FlatPlatePaalmanPingsCorrection <algm-FlatPlatePaalmanPingsCorrection>`
algorithm.
Sample Thickness
Thickness of sample (cm).
Sample Angle
Sample angle (degrees).
Can Front Thickness
Thickness of front container (cm).
Can Back Thickness
Thickness of back container (cm).
Sample Angle
Sample angle (degrees).
Cylinder
########
.. warning:: This mode is only available on Windows
.. interface:: Data Analysis
:widget: pageCylinder
:widget: pgCylinder
The calculation for a cylindrical geometry is performed by the
:ref:`CylinderPaalmanPingsCorrection <algm-CylinderPaalmanPingsCorrection>`
algorithm, this algorithm is currently only available on Windows as it uses
FORTRAN code dependant of F2Py.
Radius
1
Sample radius 1
(cm).
Sample Inner
Radius
Radius of the inner wall of the sample
(cm).
Radius
2
Sample radius 2
(cm).
Sample Outer
Radius
Radius of the outer wall of the sample
(cm).
Can Radius
Radius of inside of the container (cm).
Container Outer Radius
Radius of outer wall of the container (cm).
Beam Height
Height of incident beam (cm).
Beam Width
Width of incident beam (cm).
Step Size
Step size used in calculation.
Theory
~~~~~~
Background
~~~~~~
~~~~
The main correction to be applied to neutron scattering data is that for
absorption both in the sample and its container, when present. For flat plate
geometry, the corrections can be analytical and have been discussed for example
by Carlile [1]. The situation for cylindrical geometry is more complex and
requires numerical integration. These techniques are well known and used in
liquid and amorphous diffraction, and are described in the ATLAS manual [2]. The
routines used here have been developed from the corrections programs in the
ATLAS suite and take into account the wavelength variation of both the
absorption and the scattering cross-sections for the inelastic flight paths.
liquid and amorphous diffraction, and are described in the ATLAS manual [2].
The absorption corrections use the formulism of Paalman and Pings [3] and
involve the attenuation factors :math:`A_{i,j}` where :math:`i` refers to
...
...
@@ -608,9 +611,7 @@ plus container. If the scattering cross sections for sample and container are
scattering from the empty container is :math:`I_{c} = \Sigma_{c}A_{c,c}` and
that from the sample plus container is :math:`I_{sc} = \Sigma_{s}A_{s,sc} +
\Sigma_{c}A_{c,sc}`, thus :math:`\Sigma_{s} = (I_{sc} - I_{c}A_{c,sc}/A_{c,c}) /
A_{s,sc}`. In the package, the program Acorn calculates the attenuation
coefficients :math:`A_{i,j}` and the routine Analyse uses them to calculate Σs
which we identify with :math:`S(Q, \omega)`.
A_{s,sc}`.
References:
...
...
@@ -628,12 +629,29 @@ Apply Corrections
The Apply Corrections tab applies the corrections calculated in the Calculate
Corrections tab of the Indirect Data Analysis interface.
This tab will expect to find the ass file generated in the previous tab. If Use
Can is selected, it will also expect the assc, acsc and acc files. It will take
the run number from the sample file, and geometry from the option you select.
This uses the :ref:`ApplyPaalmanPingsCorrection
<algm-ApplyPaalmanPingsCorrection>` algorithm to apply absorption corrections in
the form of the Paalman & Pings correction factors. When *Use Can* is disabled
only the :math:`A_{s,s}` factor must be provided, when using a container the
additional factors must be provided: :math:`A_{c,sc}`, :math:`A_{s,sc}` and
:math:`A_{c,c}`.
Once run the corrected output and can correction is shown in the preview plot,
the Spectrum spin box can be used to scroll through each spectrum.
the Spectrum spin box can be used to scroll through each spectrum. Note that
when this plot shows the result of a calculation the X axis is always in
wavelength, however when data is initially selected the X axis unit matches that
of the sample workspace.
The input and container workspaces will be converted to wavelength (using
:ref:`ConvertUnits <algm-ConvertUnits>`) if they do not already have wavelength
as their X unit.
The binning of the sample, container and corrections factor workspace must all
match, if the sample and container do not match you will be given the option to
rebin (using :ref:`RebinToWorkspace <algm-RebinToWorkspace>`) the sample to
match the container, if the correction factors do not match you will be given
the option to interpolate (:ref:`SplineInterpolation
<algm-SplineInterpolation>`) the correction factor to match the sample.
Options
~~~~~~~
...
...
@@ -651,12 +669,14 @@ Use Can
either a reduced file (*_red.nxs*) or workspace (*_red*) or an :math:`S(Q,
\omega)` file (*_sqw.nxs*) or workspace (*_sqw*).
Corrections File
The output file (_Abs.nxs) or workspace group (_Abs) generated by Calculat
e
Corrections
.
Scale Can by factor
Allows the container intensity to be scaled by a given scale factor befor
e
being used in the corrections calculation
.
Verbose
Enables outputting additional information to the Results Log.
Use Corrections
The Paalman & Pings correction factors to use in the calculation, note that
the file or workspace name must end in either *_flt_abs* or *_cyl_abs* for the
flat plate and cylinder geometries respectively.
Plot Output
Gives the option to create either a spectra or contour plot (or both) of the
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