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Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_phason_atom_site_label

Name:
'_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, JANA2000) 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.

Appears in list as essential element of loop structure

Must match data name_atom_site_label

Type: char

Category: atom_site_phason