Re: [sdpd] Re: Publishing a Powder-Diffraction-based paper is hard sometimes

[Jon Wright <wright...@esrf.fr>]

Armel Le Bail wrote:
> An unknown impurity representing less than 1% of the bulk
> cannot be treated by other means than excluded zones.

Sorry to be pedantic, but after all, that's what the internet is here 
for :-) Impurities can be treated via the Bayesian formalism:

W. I. F. David, J. Appl. Cryst. (2001). 34, 691-698
[ doi:10.1107/S0021889801011396 ]
"Robust Rietveld refinement in the presence of impurity phases"


Since no one has programmed this yet in a mainstream Rietveld package, 
it seems like a bit of a missed opportunity. Normally it is enough that 
the referee (and reader) can see the impurity peaks for themselves...?

Hope your manuscript gets through on resubmission.

All the best,

Jon




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