Core dictionary (coreCIF) version 2.3.1

_atom_sites_solution_

Names:
'_atom_sites_solution_primary' '_atom_sites_solution_secondary' '_atom_sites_solution_hydrogens'

Definition:

   Codes which identify the methods used to locate the initial
   atom sites. The *_primary code identifies how the first
   atom sites were determined; the *_secondary code identifies
   how the remaining non-hydrogen sites were located; and the
   *_hydrogens code identifies how the hydrogen sites were located.

The data value must be one of the following:


difmap 		difference Fourier map

vecmap 		real-space vector search

heavy 		heavy-atom method

direct 		structure-invariant direct methods

geom 		inferred from neighbouring sites

disper 		anomalous-dispersion techniques

isomor 		isomorphous structure methods

Type: char

Category: atom_sites








































to end of page
to top of page