CRYSTALS enhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere
- 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.
- Publication status:
- Publisher copy:
- Copyright date:
Views and Downloads
If you are the owner of this record, you can report an update to it here: Report update to this record