Index

Modulated structures dictionary (msCIF) version 3.2.1

_atom_site_phason.atom_site_label

Definition:

   

      The code that identifies an atom or rigid group in a loop in
      which the phason coefficients are listed. Although this kind of
      correction is intended to be overall, some refinement programs
      (for example, JANA2006) allow an independent phason correction
      for each atom or rigid group. In this case,
      _atom_site_phason.formula and _atom_site_phason.coeff should be
      used (see also _refine.ls_mod_overall_phason_*). This code must
      match the _atom_site.label of the associated coordinate list and
      conform to the rules described in _atom_site.label.

Type: Code

Category:
atom_site_phason