Re: [sdpd] Diffractogramm simulation, auto cif->pattern

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

>So for 100000 crystal structures in a single cif (why ?)

For making the OAPDF (Open Access Powder Diffraction
File). 100.000 is "only" 15% of the full number to attain...

The PPDF (Predicted Powder Diffraction File) is already
available in open access with >60.000 entries and working
inside search-match software for identification :
http://www.crystallography.net/pcod/PPDF/

Armel



 
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