Crystallographic Information Framework

[CIF logo]

Index

Core dictionary (coreCIF) version 2.4.5

_refine_ls_F_calc_details

Name:
'_refine_ls_F_calc_details'

Definition:

   Details concerning the evaluation of the structure
   factors using the expression given in
   _refine_ls_F_calc_formula.

Examples:

'Gaussian integration using 16 points' 
;                                Bessel functions expansion up to 5th order.
                                 Bessel functions estimated accuracy: better
                                 than 0.001 electrons.
;

Type: char

Category: refine


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.