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_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








































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