- The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout and 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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CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere
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