PPT Slide
Brian Toby’s EXPGUI: Le Bail fitting to get the whole profile fit the data before structure refinement
- Various tricks may be required.
- Fix the “Scale Factor”. It is meaningless to refine the scale factor when doing a Le Bail fit.
- Brian Toby trick: Run zero cycles until the intensities roughly match before releasing any other parameters (peak profile, unit cell, zero offset)
- Fit the background manually with Chebyshev coefficients within bkgedt instead of refining the background. This can save you a lot of pain
- Running Powpref resets the Le Bail intensities and you have to turn off all parameters and rematch the intensities with the pattern : so you would normally avoid doing this unless you make a change to the “spacegroup” or other relevant parameters such as the “peak cutoff”