Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category REFINE_LS_CLASS

Name:
'refine_ls_class'

Description:

   Data items in the REFINE_LS_CLASS category record details
   about the reflections used for the structure refinement
   for each reflection class separately.

Example:

Example 1 - data for a modulated structure from van Smaalen [J. Phys. Condens. Matter (1991), 3, 1247-1263].
 
    loop_
        _refine_ls_class.R_factor_gt
        _refine_ls_class.code
                0.057    'Main'
                0.074    'Com'
                0.064    'NbRefls'
                0.046    'LaRefls'
                0.112    'Sat1'
                0.177    'Sat2'



Category key:
    _refine_ls_class.code

Mandatory category: no