Talk:Rietveld refinement

It seems that this article is more focused on the modelling of powder diffraction, i.e. which are the parameters needed to describe the profile of reflections and their intensities.

This may be the focus of the calculations included in the original Rietveld paper, but what is referred to as Rietveld method today is more generally the full-profile minimization of the difference between a calculated and an observed powder pattern. The actual modelization used can use a wide range of parameters.

So maybe more emphasis should be put on the general full-profile and least-squares methodology (why use full profiles, results compared to single crystal diffraction,...), rather than give details on specific profile parametrization.

The article on Rietveld refinement guidelines ( J. Appl. Cryst. 32 (1999), 36-50 ) may be a good reference as well.

OK, so I should definitely contribute as well. VincentFavreNicolin 21:21, 8 January 2006 (UTC)

Moved from main article

Still to do

• make this more than a (brief) summary of Rietveld's paper
• use in x-ray (lab+synchrotron, monochromatic+energy dispersive), neutron time-of-flight.
• Pawley and Lebail methods (new articles?)
• Non-Gaussian peak shapes
• background subtraction/fitting
• Software
• Language (reads like a hedgehog wrote it!)
• Monkeys

Yeah, I'll agree. I'm studying Rietveld refinement now, and this article doesn't help much. There are related least squares methods like the Le Bail fit. Practical aspects of how to do a refinement are also neglected; it's only theoretical in this article. Crystal whacker (talk) 02:34, 31 October 2008 (UTC)