_atom_site.calc_flag

Name:
_atom_site.calc_flag

Alias:
_atom_site_calc_flag

Definition:

   
     A standard code to signal if the site coordinates have been
     determined from the intensities or calculated from the geometry
     of surrounding sites, or have been assigned dummy coordinates.

Type: Text

The data value must be one of the following:

`d`	determined from diffraction measurements

calc calculated from molecular geometry

`c`	abbreviation for "calc"

dum dummy site with meaningless coordinates

Category:
atom_site

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Crystallographic Information Framework

Core dictionary version 3.0.14

_atom_site.calc_flag

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

Edited by S. R. Hall and B. McMahon

IUCrData