A standard code to signal if the site data have been determined from the intensities or calculated from the geometry of surrounding sites, or have been assigned dummy coordinates. The abbreviation 'c' may be used in place of 'calc'.
Item Value | Description |
---|---|
d | determined from experimental measurements |
calc | calculated from molecular geometry |
c | abbreviation for "calc" |
dum | dummy site with meaningless coordinates |
Alias Name | Dictionary | Version |
---|---|---|
_atom_site_calc_flag | cif_core.dic | 2.0.1 |