Kurt wrote:
>Can I dump the extracted structure factors from GSAS
>into ESPOIR, for example? It would be nice if this was really happening...
I am not a GSAS user, but as the ESPOIR programmer, I would say
that nothing is more easy than to dump structure factors into it.
The format is free, ascii, corresponding to one line per h,k,l, "|Fobs|",
so that the following possibilities can be accepted :
200
1 0 1 251.2
2 2 0 348.3
...
or
200
1 0 1 251.20 0.52
2 2 0 348.30 0.65
...
or more stuff unused after the "|Fobs|".
If no GSAS output fits into that format, it is surprising.
Best,
Armel Le Bail
http://sdpd.univ-lemans.fr/course/
