International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)


Index

Core dictionary version 3.3.0

_refine_diff.potential_RMS

Name:
_refine_diff.potential_RMS

Definition:

   
    The root mean square electrostatic potential value in a
    difference Fourier map.
    This value is measured with respect to the arithmetic mean
    potential and is derived from summations over each grid point
    in the asymmetric unit of the cell. This quantity is useful
    for assessing the significance of *_min and *_max values,
    and also for defining suitable contour levels.

Type: Real

Units: electrons_per_angstrom

Category:
refine_diff








































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