Rietveld Options

On the "Rietveld" page of the "Options" window you can make some adjustments for Rietveld refinement:

Which tab shall be displayed first...

Depending on your workflow and your skill you can customize the default view of the Parameter Turn-On dialog shall be displayed first when you open it. You can select to either display the "Beginner", the "Advanced" or the "Expert" tab.

Run automatic Rietveld refinement by default

If you are using automatic Rietveld refinement quite frequently, you should mark this checkbox so that the "Automatic Rietveld refinement" option is active when you open the Parameter Turn-On dialog.

For the automatic Rietveld refinement it is possible to apply user-defined refinement sequences other than the factory one. In order to do so, please press the Configure... button. This will open the Define Parameter Sequence for Automatic Rietveld Refinement dialog in which you can select which parameters shall be refined in which order (cycle) during the automatic Rietveld refinement procedure. The user-defined refinement sequences can be stored in this dialog and recalled later on e.g. in the Rietveld options or in the Parameter Turn-On dialog, by using the Preset combo box.

By default, either the "Standard" (factory) parameter sequence set or the one that has been selected as "default" in the Define Parameter Sequence for Automatic Rietveld Refinement dialog is run during automatic refinement. If you would like to run a different user-defined parameter set, please select it from the Preset combo box.

Please note:

Save parameter selection for next calculation

If this option is active, the set of parameters selected for refinement won't be reset after a calculation, so that they will still be marked when you open the Parameter Turn-On dialog in order to setup the next calculation. As a result, you can start your next calculation right from where you have been before, and maybe just add or modify another parameter.

Please note: If you activate this option, the option above ("Run automatic Rietveld refinement by default") will de unchecked, because the automatic refinement sequence would overwrite any current/previous parameter selection.

Display Rietveld profile and difference plot automatically

When a FullProf calculation has finished, the resulting diffraction pattern profile calculated by FullProf is imported. If you would like to display the corresponding profile and difference plot in the pattern graphics right away afterwards you should activate this option.

Please note:

See also: