The Graphic Options
Besides displaying the preliminary steps of the procedure and the progress of the Rietveld process, the graphic interface is useful for many additional options:
·to guide the access operations to the Data Bank;
·to write the input file or modify an existing one;
·to modify parameter values;
·to modify the automatic choices of the program (Single peak, background modelling, parameters restrictions);
·to apply the user refinement strategy (e.g., at the end of a default run or in a new interactive one);
·to set the window options (size, colours, etc.);
·to have a zoom and/or detailed information about a selected region of the pattern (counts, 2q or d values, Miller indices of reflections), to display the calculated pattern of each phase, the FWHM (Full Width at Half Maximun) and Mixing parameter (for Pearson VII or Pseudo-Voigt function) trend versus 2q , etc.;
·to restart the program from the Preliminary or Rietveld procedure;
·to have a look of the output file or the short results;
·to require a phase reflections list (hkl Miller indices, angular positions, observed and calculated structure factors moduli or intensities, applied corrections) or a bond distances and angles tables;
·to require the application of the Le Bail algorithm for the extraction of integrated intensities from the experimental pattern;
·to require the application of the "Find PO" procedure.