[cctbxbb] strange silicon

[Marc Gailhanou]

Hi Ralf,
thank you very much, it is much better now. I still have a small discrepancy 
with an independant structure factor calculation I do, but as I do not know 
the default parameters of the x-ray scatterer in cctbx ( energy, anomalous 
scattering factor, ...) this is not surprising.
Tomorrow morning I will have a look in the International Tables. I still have 
a lot to learn in crystallography ...
Thanks again for your answer ( and for cctbx )
Marc



Le Mardi 18 Octobre 2005 01:38, vous avez écrit :
> Hi Marc,
>
> Please try
>
>        space_group_symbol="Fd3m:1")),
>
> to specify "origin choice 1" (see Int. Tab. Volume A).
> Does this lead to what you expect?
>
> See also:
> http://cctbx.sourceforge.net/current_cvs/c_plus_plus/classcctbx_1_1sgtbx_1_
>1space__group__symbols.html
>
> Look for the "Detailed Description" section.
>
> Cheers,
>         Ralf
>
>
>
>
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