Modulated structures dictionary (msCIF) version 3.2.1

Category ATOM_SITE_OCC_ORTHO

Name:
'ATOM_SITE_OCC_ORTHO'

Parent category:
MS_GROUP

Definition:

   
 
      Data items in the ATOM_SITE_OCC_ORTHO category record
      details about the orthogonalized functions defined to solve 
      correlation problems during the refinement of the occupational 
      modulation when the atomic domain of a given atom is restricted 
      by a crenel function. The functions are constructed selecting 
      Fourier harmonics until the desired degree of orthogonality and
      completeness is reached (see
      _atom_site_occ_special_func.crenel_ortho_eps).

      Notice that the global results could also be expressed (losing 
      information) using the data items defined in the categories  
      ATOM_SITE_OCC_FOURIER and ATOM_SITE_OCC_FOURIER_PARAM.

Category is of type Loop

Category key:
_atom_site_occ_ortho.id