Inelastic Data Processor Testing

Prerequisites

  • Download the ISIS Sample Data

  • Make sure that the data set is on your list of search directories

Symmetrise tab

Time required 5-10 minutes


  1. Go to Interfaces > Inelastic > Data Processor

  2. Go to the Symmetrise tab

  3. On the File Input, click on Browse, a dialog window should prompt.

  4. Find the file irs26176_graphite002_red.nxs from the ISIS Sample Data and Load it.

  5. The first spectrum should be rendered in the plot browser.

  6. On the plot, drag and move the rightmost vertical green slider to be approximately at 0.4 on the x-axis, the value of Ehigh should change accordingly.

  7. Move the other slider to be approximately at 0.2 on the x-axis, the value of Elow should change accordingly.

  8. Click on the Preview button. The symmetrised plot should be rendered on the preview graph.

  9. Click the Run button.

  10. A Workspace named irs26176_graphite002_sym_pn_red should be created on the ADS.

  11. On the Output widget, click on Plot Spectra button. A new plot window should appear with the same plot as the preview.

  12. On the Symmetrise Property Browser: Change the value of Elow and Ehigh properties and see that the vertical green sliders. respond accordingly, but only when the input values are within range. It shouldn’t be possible to set Elow to the right of Ehigh and viceversa. At the same time, it shouldn’t be possible to enter negative numbers, or positive numbers larger than the maximum data range.

  13. Change the value of Spectrum No property to 5 and see that the spectra on the plot is updated.

  14. Change the ReflectType property from Positive to Negative to Negative to Positive, the sliders should move to the negative range of the spectra.

  15. Now Ehigh should be closer to 0 than Elow. Repeat checks of step 12, noting that only negative inputs can be entered now.

  16. Set Ehigh to -0.1 and Elow to -0.3 and click on the Preview button. The symmetrise plot should be rendered on the preview graph. The axis data range must go from -0.3 to 0.3.

  17. Click on the Run button.

  18. A Workspace named irs26176_graphite002_sym_np_red should be created on the ADS.

  19. On the ADS, select irs26176_graphite002_sym_np_red and right-click to select Plot -> Spectrum. On Workspace Indices select 5. Check that the spectrum is the same as the one in the Preview plot of the symmetrise interface.

\(S(Q, \omega)\) tab

Time required 5-10 minutes


  1. Go to Interfaces > Inelastic > Data Processor

  2. Go to the S(Q,w) tab

  3. On the File Input, click on Browse, a dialog window should prompt.

  4. Find the file irs26176_graphite002_red.nxs from the ISIS Sample Data and Load it.

  5. The data will be plot as a contour plot in the interface.

  6. Set Q Low, Q Width and Q High to be 0.45, 0.05 and 1, respectively.

  7. Click Run button.

  8. There should be two new workspaces in the ADS with the prefixes _sqw and _rqw.

  9. On Output options of the interface. Select from the drop-down menu on the right of the Plot Spectra button the option to Open Slice Viewer and click.

  10. A Slice Viewer window should prompt, check on the Slice Viewer that the spectra slices range in q-values from 0.45 to 1.

  11. Back on the interface, check Rebin in Energy and change E Low and E High to be -0.2 and 0.2.

  12. Click Run. A new rebinned workspace with suffix _r should appear on the ADS.

  13. On Output options of the interface. Select from the drop-down menu on the right of the Plot Spectra button the option to Plot 3D Surface and click.

  14. The resulting 3D plot should range in the Energy Transfer axis from -0.2 to 0.2 \(meV\).

  15. Don’t remove yet the workspace with suffix _sqw from the ADS as you will use it for the Moments interface test.

  16. Repeat instructions 4 to 10, but loading instead the MAR27691_red.nxs file from the ISIS Sample Data set.

Moments tab

Time required 2-3 minutes


  1. Go to Interfaces > Inelastic > Data Processor

  2. Go to the Moments tab

  3. On the File Input, change the drop-down selector from File to Workspace.

  4. Select the previously generated workspace irs26176_graphite002_sqw from the selector.

  5. First spectrum should be rendered on the plot widget, with two vertical sliders placed on the integration limits, the limits on the sliders and on the property browser should match.

  6. Change the limits by moving the sliders to be at -0.2 and 0.2, respectively. On the property browser, EMin and EMax should be updated with the new limits.

  7. Click the Run button.

  8. The Preview plot should be updated with a representation of the first three moments with respect to Q. A workspace with the suffix _Moments should be generated on the ADS.

  9. On the Output edit, the name of the output workspace should be greyed out, write on the text edit right from the output name the spectras to plot, 0-4, and click on the Plot Spectra button. A plot window should be generated with all the calculated moments (up to order 4).

Elwin tab

Time required 3 - 5 minutes for each


1. Direct data

  1. Go to Interfaces > Inelastic > Data Processor

  2. Go to the Elwin tab

  3. Click on Add Workspaces, a dialog window should prompt.

  4. Enter MAR27691_red.nxs in Input file. The table of the dialog should be populated with the MAR2791_red workspace.

  5. Select the workspace from the table and click on Add Data. Close the dialog.

  6. Back on Elwin tab, click Run - this should produce 3 new workspaces _elf, _eq and _eq2

  7. Open the Add Workspaces dialog again, and in Input file choose browse. Navigate to the ISIS-Sample data and select the two files, MAR27691_red.nxs and MAR27698_red.nxs using shift key.

  8. Add the loaded workspaces

  9. Click Run

  10. This should result in three new workspaces again, this time with file ranges as their name

  11. In the main GUI right-click on MAR27691-27698_red_elwin_eq2 and choose Plot Spectrum, choose Plot All

  12. This should plot two lines of \(ln(Counts(microAmp.hour))^{-1}\) vs \(Q2\)

2. Indirect data

  1. Go to Interfaces > Inelastic > Data Processor

  2. Click on Add Workspaces, a dialog window should prompt

  3. Enter irs26174_graphite002_red.nxs in Input file. The table of the dialog should be populated with the irs26174_graphite002_red workspace.

  4. Select the workspace from the table and click on Add Data. Close the dialog.

  5. Back on Elwin tab, click Run - this should produce 3 new workspaces _elf, _eq and _eq2

  6. Right-click on the irs26174_graphite002_red_elwin_eq workspace and Save Nexus; save to a location of your choice. NB keep this workspace if you are doing the QENS Fitting Manual Test

  7. Remove the Workspace from the interface by clicking on the Select All button and then the Remove Selected button.

  8. Open the Add Workspaces dialog again, there should be a irs26174_graphite002_red workspace on the table with Ws Index equal to 0-50.

  9. In Input file choose Browse. Navigate to the ISIS-Sample data folder and select the file irs26176_graphite002_red.nxs. A new entry, irs26176_graphite002_red, should be added to the data table, with Ws Index equal to 0-50. (beware that there is a irs26176_graphite002_red.nxs file on the Usage Data set. This is NOT the correct file for this test, it should be loaded from the Sample Data-ISIS set)

  10. With both workspaces on the data table, click on the Select All button and then on the Add Data button. Both workspaces should be added to the Elwin interface.

  11. Change the integration range from -0.2 to 0.2

  12. Click Run

  13. This should result in three new workspaces again, this time with file ranges as their name.

  14. In the main GUI right-click on irs26174-26176_graphite002_red_elwin_eq2 and choose Plot Spectrum, choose Plot All

  15. This should plot two lines of \(ln((meV))^{-1}\) vs \(Q2\)

I(Q, t) tab

Time required 3 - 5 minutes for each


1. Direct data

  1. Go to Interfaces > Inelastic > Data Processor

  2. Go to the Iqt tab

  3. Load the MARI27691_sqw.nxs file from the sample data

  4. Load the resolution file MARI27698_sqw.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 workspace with 17 histograms and 3 bins.

  7. Click Plot Current preview this should plot the same data as the preview window

  8. Choose some workspace indices (e.g. 0-2) in the Output section and click Plot Spectra this should give a plot with the title MARI27691_iqt

  9. Click the down arrow on the Plot Spectra button and then select Plot Tiled. This should give a tiled plot of the selected workspace indices.

2. Indirect data

  1. Go to Interfaces > Inelastic > Data Processor

  2. Go to the Iqt 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 workspace with 51 histograms and 86 bins. NB keep this workspace if you are doing the QENS Fitting Manual Test

  7. Click Plot Current preview this should plot the same data as the preview window

  8. Choose some workspace indices (e.g. 0-2) in the Output section and click Plot Spectra this should give a plot with the title irs26176_graphite002_iqt

  9. Click the down arrow on the Plot Spectra button and then select Plot Tiled. This should give a tiled plot of the selected workspace indices.