Modulated structures dictionary (msCIF) version 3.2.1

Category ATOM_SITE_U_ORTHO

Name:
'ATOM_SITE_U_ORTHO'

Parent category:
MS_GROUP

Definition:

   
 
      Data items in the ATOM_SITE_U_ORTHO category record
      details about the orthogonalized functions defined to solve 
      correlation problems during the refinement of ADP 
      modulations 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).

Category is of type Loop

Category key:
_atom_site_U_ortho.id