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Item _atom_site.calc_flag


Description 

              A standard code to signal whether the site coordinates have been
               determined from the intensities or calculated from the geometry
               of surrounding sites, or have been assigned dummy values. The
               abbreviation 'c' may be used in place of 'calc'.

Category

atom_site

Mandatory Code

no

Data Type Code

ucode

Enumeration Values

Item Value Description
d determined from experimental measurements
calc calculated from molecular geometry
c abbreviation for "calc"
dum dummy site with meaningless coordinates

Alias Names

Alias Name Dictionary Version
_atom_site_calc_flag cif_core.dic 2.0.1

 

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