Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
mantid
Manage
Activity
Members
Labels
Plan
Wiki
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Locked files
Deploy
Releases
Model registry
Analyze
Value stream analytics
Contributor analytics
Repository analytics
Code review analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
mantidproject
mantid
Commits
41c72276
"ReadMe.md" did not exist on "89742d8bfe87ef0c3a88af260aed8843a86f327a"
Commit
41c72276
authored
5 years ago
by
Matthew Andrew
Browse files
Options
Downloads
Patches
Plain Diff
Added missing links Re #27840
parent
d184ce99
No related branches found
Branches containing commit
No related tags found
Tags containing commit
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
docs/source/interfaces/Indirect Fitting.rst
+42
-36
42 additions, 36 deletions
docs/source/interfaces/Indirect Fitting.rst
with
42 additions
and
36 deletions
docs/source/interfaces/Indirect Fitting.rst
+
42
−
36
View file @
41c72276
...
@@ -230,6 +230,8 @@ The fit types available for use in IqtFit are :ref:`Exponentials <func-ExpDecay>
...
@@ -230,6 +230,8 @@ The fit types available for use in IqtFit are :ref:`Exponentials <func-ExpDecay>
:width: 450
:width: 450
:widget: tabIqtFit
:widget: tabIqtFit
.. _iqtfit-example-workflow:
I(Q, t) Fit Example Workflow
I(Q, t) Fit Example Workflow
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
The I(Q, t) Fit tab operates on ``_iqt`` files. The files used in this workflow are produced on the
The I(Q, t) Fit tab operates on ``_iqt`` files. The files used in this workflow are produced on the
...
@@ -299,6 +301,44 @@ Resolution
...
@@ -299,6 +301,44 @@ Resolution
Either a resolution file (_res.nxs) or workspace (_res) or an :math:`S(Q,
Either a resolution file (_res.nxs) or workspace (_res) or an :math:`S(Q,
\omega)` file (*_sqw.nxs*, *_sqw.dave*) or workspace (*_sqw*).
\omega)` file (*_sqw.nxs*, *_sqw.dave*) or workspace (*_sqw*).
.. _convfit-example-workflow:
ConvFit Example Workflow
~~~~~~~~~~~~~~~~~~~~~~~~
The Conv Fit tab allows ``_red`` and ``_sqw`` for its sample file, and allows ``_red``, ``_sqw`` and
``_res`` for the resolution file. The sample file used in this workflow can be produced using the run
number 26176 on the :doc:`Indirect Data Reduction <Indirect Data Reduction>` interface in the ISIS
Energy Transfer tab. The resolution file is created in the ISIS Calibration tab using the run number
26173. The instrument used to produce these files is IRIS, the analyser is graphite
and the reflection is 002.
1. Click **Browse** for the sample and select the file ``iris26176_graphite002_red``. Then click **Browse**
for the resolution and select the file ``iris26173_graphite002_res``.
2. Choose the **Fit Type** to be One Lorentzian. Tick the **Delta Function** checkbox. Set the background
to be a **Flat Background**.
3. Expand the variables called **f0-Lorentzian** and **f1-DeltaFunction**. To tie the delta functions Centre
to the PeakCentre of the Lorentzian, right click on the Centre parameter and go to Tie->Custom Tie and then
enter f0.PeakCentre.
4. Tick **Plot Guess** to get a prediction of what your fit will look like.
5. Click **Run** and wait for the interface to finish processing. This should generate a
_Parameters table workspace and two group workspaces with end suffixes _Results and
_Workspaces. The mini-plots should also update, with the upper plot displaying the
calculated fit and the lower mini-plot displaying the difference between the input data and the
fit.
6. Choose a default save directory and then click **Save Result** to save the _result workspaces
found inside of the group workspace ending with _Results. The saved workspace will be used in
the :ref:`fqfit-example-workflow`.
Theory
~~~~~~
For more on the theory of Conv Fit see the :ref:`ConvFitConcept` concept page.
ConvFit fitting model
ConvFit fitting model
~~~~~~~~~~~~~~~~~~~~~
~~~~~~~~~~~~~~~~~~~~~
...
@@ -364,42 +404,6 @@ The Temperature Correction is a :ref:`UserFunction <func-UserFunction>` with the
...
@@ -364,42 +404,6 @@ The Temperature Correction is a :ref:`UserFunction <func-UserFunction>` with the
formula :math:`((x * 11.606) / T) / (1 - exp(-((x * 11.606) / T)))` where
formula :math:`((x * 11.606) / T) / (1 - exp(-((x * 11.606) / T)))` where
:math:`T` is the temperature in Kelvin.
:math:`T` is the temperature in Kelvin.
ConvFit Example Workflow
~~~~~~~~~~~~~~~~~~~~~~~~
The Conv Fit tab allows ``_red`` and ``_sqw`` for its sample file, and allows ``_red``, ``_sqw`` and
``_res`` for the resolution file. The sample file used in this workflow can be produced using the run
number 26176 on the :doc:`Indirect Data Reduction <Indirect Data Reduction>` interface in the ISIS
Energy Transfer tab. The resolution file is created in the ISIS Calibration tab using the run number
26173. The instrument used to produce these files is IRIS, the analyser is graphite
and the reflection is 002.
1. Click **Browse** for the sample and select the file ``iris26176_graphite002_red``. Then click **Browse**
for the resolution and select the file ``iris26173_graphite002_res``.
2. Choose the **Fit Type** to be One Lorentzian. Tick the **Delta Function** checkbox. Set the background
to be a **Flat Background**.
3. Expand the variables called **f0-Lorentzian** and **f1-DeltaFunction**. To tie the delta functions Centre
to the PeakCentre of the Lorentzian, right click on the Centre parameter and go to Tie->Custom Tie and then
enter f0.PeakCentre.
4. Tick **Plot Guess** to get a prediction of what your fit will look like.
5. Click **Run** and wait for the interface to finish processing. This should generate a
_Parameters table workspace and two group workspaces with end suffixes _Results and
_Workspaces. The mini-plots should also update, with the upper plot displaying the
calculated fit and the lower mini-plot displaying the difference between the input data and the
fit.
6. Choose a default save directory and then click **Save Result** to save the _result workspaces
found inside of the group workspace ending with _Results. The saved workspace will be used in
the :ref:`fqfit-example-workflow`.
Theory
~~~~~~
For more on the theory of Conv Fit see the :ref:`ConvFitConcept` concept page.
F(Q) Fit
F(Q) Fit
--------
--------
...
@@ -419,6 +423,8 @@ The fit types available in F(Q)Fit are :ref:`ChudleyElliot <func-ChudleyElliot>`
...
@@ -419,6 +423,8 @@ The fit types available in F(Q)Fit are :ref:`ChudleyElliot <func-ChudleyElliot>`
:width: 450
:width: 450
:widget: tabJumpFit
:widget: tabJumpFit
.. _fqfit-example-workflow:
F(Q) Fit Example Workflow
F(Q) Fit Example Workflow
~~~~~~~~~~~~~~~~~~~~~~~~~
~~~~~~~~~~~~~~~~~~~~~~~~~
The F(Q) Fit tab operates on ``_result`` files which can be produced on the ConvFit tab. The
The F(Q) Fit tab operates on ``_result`` files which can be produced on the ConvFit tab. The
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment