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.. _indirect_inelastic_testing:
Indirect Inelastic Testing
==========================
.. contents::
:local:
Data reduction
--------------
*Preparation*
- Instrument ``IRIS``
- You need access to the ISIS data archive
**Time required 2-5 minutes**
--------------
1. Open ``Interfaces`` > ``Indirect`` > ``Data reduction``
2. Make sure ``Instrument`` is set to ``IRIS``
3. Go to the ``ISIS calibration``
4. Enter ``Run number`` 26173
5. Click ``Run``
6. This should generate a workspace with ``_calib`` at the end . Delete
this workspace
7. Change the ``Scale by factor`` value to 0.5
8. Click ``Run``
9. This should generate a workspace with ``_calib`` at the end
10. Check the ``Create RES`` box
11. Click ``Run``
12. This should generate a workspace with ``_res`` at the end
13. Click ``Plot result`` - should produce two plots
14. Enter ``Run number`` 55878-55879 and check ``Sum Files``
15. Click ``Run``, this should produce a ``_calib`` workspace
16. Make sure that you keep the ``_calib`` workspace, it is needed for
the next test
17. Enter ``Run number`` 59057-59059 and check ``Sum Files``
18. Set ``Reflection`` to 004
19. This should produce a new ``_calib`` workspace, with ``004`` in the
name
**Time required 5-10 minutes**
--------------
1. Open ``Interfaces`` > ``Indirect`` > ``Data reduction``
2. Make sure ``Instrument`` is set to ``IRIS``
3. Check the ``Sum spectra`` box
4. In the ``Run files`` box enter ``26184-26185``
5. Click ``Run``
6. Check the ``Use Calib File`` box
7. Change ``File`` to ``Workspace`` and choose the ``_calib`` workspace
previously created (From the previous test)
8. Click ``Run``
9. In the main GUI right-click on the
``iris26184_multi_graphite002_red`` workspace
10. Choose ``Plot spectrum``, note the number of spectra, should be 50
11. Click ``Cancel``
12. In the ``Data reduction`` GUI, change the setting ``Mode`` to Groups
13. Set ``Groups`` to 5
14. Click ``Run``
15. In the main GUI right-click on the
``iris26184_multi_graphite002_red`` workspace
16. Choose ``Plot spectrum``, note the number of spectra, should be 6
17. Choose ``Plot All``
18. Go to the ``S(Q, W)`` tab
19. Change ``File`` to ``Workspace`` and load the ``_red`` workspace
just created
20. Set ``Q-Low``-``Q-width``-``Q-High`` to 0.2, 0.2, 1.8
21. Click ``Run``
22. Should create a ``_sqw`` workspace
23. Check ``Rebin in energy``
24. Set ``Q-Low``-``Q-width``-``Q-High`` to -0.5, 0.01, 0.5
25. Click ``Run``
26. With ``Plot Output`` set as Contour click ``Plot``
27. Click ``Save Result``
Data analysis Elwin
-------------------
*Preparation*
- ISIS Sample data set
- Make sure that the data set is on your list of search directories
**Time required 3 - 5 minutes**
--------------
1. Go to ``Interfaces`` > ``Indirect`` > ``Data Analysis``
2. Enter ``irs26176_graphite002_red.nxs`` in ``Input file``
3. Click ``Run`` - this should produce 3 new workspaces ``_elf``, ``_eq`` and ``_eq2``
4. Now in ``Input file`` choose browse, navigate to the ISIS-Sample data and select the two files above simultaneously, by using shift key
5. Change the integration range from -0.2 to 0.2
6. Click ``Run``
7. This should result in three new workspaces again, this time with file ranges as their name
8. In the main GUI right-click on ``irs26174-26176_graphite002_red_elwin_eq2`` and choose ``Plot Spectrum``, choose ``Plot All``
9. This should plot two lines of :math:`A^{-2}` vs :math:`Q`
10. Right-click on the ``irs26176_graphite002_elwin_eq`` workspace and ``Save Nexus``; save to a location of your choice
Data analysis MSD
-----------------
*Preparation*
- The ``_eq.nxs`` file from the previous test
**Time required 3 - 5 minutes**
--------------
1. Go to ``Interfaces`` > ``Indirect`` > ``Data Analysis``
2. Go to the ``MSD fit`` tab
3. Load the file that you saved in the previous test
4. Set ``Fit type`` to Gaussian
5. Click ``Run``
6. This should produce a plot of the fitted function in the interface
7. Change ``End X`` to 1.0
8. Click ``Run``
9. Repeat the previous steps with ``Peters`` and ``Yi`` functions
10. Try run fits using the different ``Minimizer`` options (except FABDA), each time change the ``End X`` value either + or - 0.1
Data analysis Conv Fit
----------------------
*Preparation*
- Access to ISIS sample data
**Time required 3 - 5 minutes**
--------------
1. Go to ``Interfaces`` > ``Indirect`` > ``Data Analysis``
2. Go to the ``Conv Fit`` tab
3. Load the ``irs26176_graphite002_red.nxs`` file from the sample data
4. Load the resolution file ``irs26173_graphite002_res.nxs`` from the sample data
5. Set ``Fit spectra`` to 0 - 50
6. Set ``Fit type`` to Two Lorentzians
7. Set ``Max iterations`` to 400
8. Click ``Run``
9. Three new workspaces should be greater in the main GUI - ``Parameters``, ``Result`` and ``Workspaces``
10. In the ``Fit`` tab, change ``Fit spectra`` to String and enter 3
11. Click ``Run`` the plot should update and new workspaces are created in the main Mantid GUI
12. Set ``Fit spectra`` to String 3
13. Click ``Run``; the plot should update and new workspaces are created in the main Mantid GUI
14. Try the various ``Plot`` options in the interface
(a) ``Plot Output``
(b) ``Plot Current Preview``
(c) Enable the ``Plot Guess`` checkbox
15. Change the ``Fit type`` to different functions and run fits
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Data analysis I(Q, T)
----------------------
*Preparation*
- Access to ISIS sample data
**Time required 3 - 5 minutes**
--------------
1. Go to ``Interfaces`` > ``Indirect`` > ``Data Analysis``
2. Go to the ``I(Q, T)`` tab
3. Load the ``irs26176_graphite002_red.nxs`` file from the sample data
4. Load the resolution file ``irs26173_graphite002_res.nxs`` from the sample data
5. Click ``Run``
6. A new workspace with the suffix ``_iqt`` should appear in the main GUI, it should be a 87 x 51 table. **NB** keep thiw workspace for the next test
7. Click ``Plot Currnet View`` this should plot the same data as the preview window
8. Click ``Plot Result`` this should give a plot with the title *irs26176_graphite002_iqt*
Data analysis I(Q, T) Fit
-------------------------
*Preparation*
- The ``_iqt`` workspace from the previous test
**Time required 3 - 5 minutes**
--------------
1. Go to ``Interfaces`` > ``Indirect`` > ``Data Analysis``
2. Go to the ``I(Q, T) Fit`` tab
3. Load the ``_iqt`` workspace from the previous test
4. Set ``Exponential`` to 1
5. Set ``EndX`` to 0.14
6. Click ``Run``
7. This should produce a fit and a difference plot in the window
8. Click ``Plot current preview`` this should open a plot with three datasets plotted
9. Change ``Range`` to 0 - 10
10. Click ``Run``
11. Select Lifetime from the ``Plot Output`` drop-down
12. Click ``Plot Result`` this should open a new plot with the lifetimes plotted