Reference: Ludger Schroeder, David J. Watkin, Alain Cousson et al., (2004). CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere. Journal of Applied Crystallography, 37 (4), 545-550.
Citable link to this page: http://ora.ox.ac.uk/objects/uuid:d46ca9b2-db4a-4c18-98e1-1b49a4443991Abstract: The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36, 1487] has been extended to include an option for the refinement of a continuous electron density distribution lying along a line, a ring or on the surface of a sphere. These additional non-atomic electron distributions can be refined in any combination with traditional anisotropically distributed spherical atoms, including the refinement of `partial' atoms overlapping with the special electron distributions.
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