Index

Core dictionary (coreCIF) version 2.4.5

_refine_ls_abs_structure_Flack

Definition:

   The measure of absolute structure as defined by Flack (1983).

   For centrosymmetric structures, the only permitted value, if the
   data name is present, is 'inapplicable', represented by '.' .

   For noncentrosymmetric structures, the value must lie in the
   99.97% Gaussian confidence interval  -3u =< x =< 1 + 3u and a
   standard uncertainty (e.s.d.) u must be supplied. The
   _enumeration_range of 0.0:1.0 is correctly interpreted as
   meaning (0.0 - 3u) =< x =< (1.0 + 3u).

   Ref: Flack, H. D. (1983). Acta Cryst. A39, 876-881.

Type: numb

Category: refine