|
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
Category REFINE_DIFF
Name:'REFINE_DIFF'
Parent category:
REFINE
Definition:
Data items in the REFINE_DIFF category specify the scattering density limits
in a difference Fourier map after the structure has been refined. The
RMS value is with respect to the arithmetic mean density, and is derived
from summations over each grid point in the asymmetric unit of the cell.
Category is of type Set
This category contains the following items
- _refine_diff.density_max
- _refine_diff.density_max_su
- _refine_diff.density_min
- _refine_diff.density_min_su
- _refine_diff.density_RMS
- _refine_diff.density_RMS_su
- _refine_diff.potential_max
- _refine_diff.potential_max_su
- _refine_diff.potential_min
- _refine_diff.potential_min_su
- _refine_diff.potential_RMS
- _refine_diff.potential_RMS_su
