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mantidproject
mantid
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d36c42a7
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d36c42a7
authored
6 years ago
by
Keith Butler
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Re #22966 reworked section on sequential fitting
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docs/source/interfaces/Indirect Data Analysis.rst
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docs/source/interfaces/Indirect Data Analysis.rst
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d36c42a7
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@@ -129,6 +129,8 @@ Options
Note: common options are detailled in the :ref:`qens-fitting-features` section.
Note: sequential fitting is available, options are detailed in the :ref:`sequential-fitting-section` section.
Sample
A file that has been created using the Elwin tab with an :math:`x` axis of
:math:`Q`. Alternatively, a workspace may be provided.
...
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@@ -169,6 +171,9 @@ Plot Result
Save Result
If enabled the result will be saved as a NeXus file in the default save
directory.
Tiled Plot
Produces a tiled plot of the output workspaces generated.
Monte Carlo Error Calculation - Number Of Iterations
The number of iterations to perform in the Monte Carlo routine for error
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@@ -201,22 +206,14 @@ I(Q, t) Fit provides a simplified interface for controlling various fitting
functions (see the :ref:`Fit <algm-Fit>` algorithm for more info). The functions
are also available via the fit wizard.
Additionally, in the bottom-right of the interface there are options for doing a
sequential fit. This is where the program loops through each spectrum in the
input workspace, using the fitted values from the previous spectrum as input
values for fitting the next. This is done by means of the
:ref:`IqtFitSequential <algm-IqtFitSequential>` algorithm.
A sequential fit is run by clicking the Run button at the bottom of the tab, a
single fit can be done using the Fit Single Spectrum button underneath the
preview plot.
Options
~~~~~~~
Note: common options are detailled in the :ref:`qens-fitting-features` section.
Input
Note: sequential fitting is available, options are detailed in the :ref:`sequential-fitting-section` section.
Sample
Either a file (*_iqt.nxs*) or workspace (*_iqt*) that has been created using
the Iqt tab.
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@@ -327,7 +324,9 @@ formula :math:`((x * 11.606) / T) / (1 - exp(-((x * 11.606) / T)))` where
Options
~~~~~~~
Note: common options are detailled in the :ref:`qens-fitting-features` section.
Note: common options are detailed in the :ref:`qens-fitting-features` section.
Note: sequential fitting is available, options are detailed in the :ref:`sequential-fitting-section` section.
Sample
Either a reduced file (*_red.nxs*) or workspace (*_red*) or an :math:`S(Q,
...
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@@ -556,17 +555,6 @@ a separate plotting window.
The 'Plot Guess' check-box can be used to enable/disable the guess curve in the top preview plot.
Spectrum Selection
~~~~~~~~~~~~~~~~~~
Below the preview plots, the spectra to be fit can be selected. The 'Fit Spectra' drop-down menu allows for
selecting either 'Range' or 'String'. If 'Range' is selected, you are able to select a range of spectra to fit by
providing the upper and lower bounds. If 'String' is selected you can provide the spectra to fit in a text form.
When selecting spectra using text, you can use '-' to identify a range and ',' to separate each spectrum/range.
:math:`X`-Ranges may be excluded from the fit by selecting a spectrum next to the 'Mask Bins of Spectrum' label and
then providing a comma-separated list of pairs, where each pair designates a range to exclude from the fit.
Output
~~~~~~
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@@ -609,6 +597,40 @@ Convergence Criteria
Acceptance Rate
The desired percentage acceptance of new parameters (see *JumpAcceptanceRate*
in :ref:`FABADA` documentation)
.. _sequential-fitting-section:
Sequential Fitting
------------------
Three of the fitting interfaces allow sequential fitting of several spectra:
* MSD Fit
* I(Q, T) Fit
* ConvFit
At the bottom of the interface there are options for doing a
sequential fit. This is where the program loops through each spectrum in the
input workspace, using the fitted values from the previous spectrum as input
values for fitting the next. This is done by means of the
:ref:`IqtFitSequential <algm-IqtFitSequential>` algorithm.
A sequential fit is run by clicking the Run button at the bottom of the tab, a
single fit can be done using the Fit Single Spectrum button underneath the
preview plot.
Spectrum Selection
~~~~~~~~~~~~~~~~~~
Below the preview plots, the spectra to be fit can be selected. The 'Fit Spectra' drop-down menu allows for
selecting either 'Range' or 'String'. If 'Range' is selected, you are able to select a range of spectra to fit by
providing the upper and lower bounds. If 'String' is selected you can provide the spectra to fit in a text form.
When selecting spectra using text, you can use '-' to identify a range and ',' to separate each spectrum/range.
:math:`X`-Ranges may be excluded from the fit by selecting a spectrum next to the 'Mask Bins of Spectrum' label and
then providing a comma-separated list of pairs, where each pair designates a range to exclude from the fit.
.. categories:: Interfaces Indirect
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