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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.diffraction_theory
Name:_refine.diffraction_theory
Definition:
A code describing the approach to the calculation of the
diffracted intensities. In the kinematical approximation,
interactions of diffracted waves with matter are neglected, and
integrated intensities of the Bragg reflections are proportional
to the square of the modulus of the structure factor. In the
dynamical calculation, interactions between diffracted waves are
taken into account, and the proportionality of the intensities and
the structure factors is not preserved.
Type: Code
The data value must be one of the following:
|
dynamical | Interactions between diffracted waves and matter are taken into account when calculating the amplitudes of the diffracted beams. |
|
kinematical | Interactions between diffracted waves and matter are ignored when calculating the amplitudes of diffracted beams. |
Category:
refine
