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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_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