Re: [sdpd] Fullprof error messages

[Armel Le Bail <alb...@cristal.org>]

>semi-decent starting match. Refining the scale factor of the standard as
>the only variable, I obtain Bragg R-values of 0.21 and 0.13 for the 2
>phases.

The Bragg R-value has meaning for a Rietveld refinement
(structure constraint) but no sense when extracting "|Fobs|"
(the method always leads to very small RB so that 0.21 is
suspect). Rather, give the Rp values.

>Any ideas what might be wrong, and how I could fix it?

Hard to answer without the data ! Check all and see the fit
at the beginning. You probably try to refine starting from
too wrong values. Do not refine the three U, V, W too
soon. Try W first alone.

Best,

Armel


 

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