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brilliant

捐助贵宾 (职业作家)

[交流] shelxtl最新进展

At last there is a paper that should be cited whenever any program that begins with "SHELX..." (including the Bruker SHELXTL) is used: "A short history of SHELX". Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122. It is available as "Open Access".

The book "Crystal Structure Refinement: A Crystallographer's Guide to SHELXL" edited by Peter Müller (IUCr/Oxford, 2006) is recommended reading for anyone planning to refine small moiety or macromolecular structures.


A useful quick online source of practical information for macromolecular applications of SHELXL (structure refinement) and SHELXC/D/E (experimental phasing) is provided by the CCP4 Wiki.
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