|
International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_refine_ls.F_calc_details
Name:_refine_ls.F_calc_details
Alias:
_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. Estimated
accuracy of Bessel function better than 0.001 electrons
;
|
Type: Text
Category:
refine_ls
