RE: [sdpd] Re: Another 2 pence worth

[Armel Le Bail <armel...@fluo.univ-lemans.fr>]

>Okay - then where this paper differs
>is that it uses the whole profile, and
>thus factors non-obvious extinctions 
>into the evaluation.

I do the same with my own 100000000000
neurons (a bit less now :-<). And it works not
too bad : ~70 structure determinations, half
from powder data, none marshised. As a 
teacher, I firmly suggest to always verify by
yourself if the space group proposition from
any software makes sense. With bad data,
software tend to see reflections where they
are not... and Bayes's theorem will not change
a lot to that : nothing replaces a good 
crystallographer for the final decision in
many cases (up to now).

Best,

Armel Le Bail
http://www.cristal.org/course/


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