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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_ls.R_factor_gt
Name:_refine_ls.R_factor_gt
Aliases:
_refine_ls_R_factor_obs
_refine_ls_R_factor_gt
_refine.ls_R_factor_obs
_refine.ls_R_factor_gt
Definition:
Residual factor for the reflections judged significantly intense
(see _reflns.number_gt and _reflns.threshold_expression) and included
in the refinement. The reflections also satisfy the resolution limits
specified by _refine_ls.d_res_high and _refine_ls.d_res_low. This is
the conventional R factor.
sum | F(meas_gt) - F(calc) |
R = -----------------------------
sum | F(meas_gt) |
F(meas_gt) = the 'observed' structure-factor amplitudes
F(calc) = the calculated structure-factor amplitudes
and the sum is taken over the specified reflections.
Type: Real
Units: none
The permitted range is 0.0 → infinity
Category:
refine_ls