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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
Category REFINE_LS
Name:'REFINE_LS'
Parent category:
REFINE
Definition:
Data items in the REFINE_LS category are used to provide information
about the refinement of the structural model.
Category is of type Set
This category contains the following items
- _refine_ls.abs_structure_details
- _refine_ls.abs_structure_Flack
- _refine_ls.abs_structure_Flack_su
- _refine_ls.abs_structure_Rogers
- _refine_ls.abs_structure_Rogers_su
- _refine_ls.abs_structure_z-score
- _refine_ls.d_res_high
- _refine_ls.d_res_low
- _refine_ls.extinction_coef
- _refine_ls.extinction_coef_su
- _refine_ls.extinction_expression
- _refine_ls.extinction_method
- _refine_ls.F_calc_details
- _refine_ls.F_calc_formula
- _refine_ls.F_calc_precision
- _refine_ls.F_calc_precision_su
- _refine_ls.goodness_of_fit_all
- _refine_ls.goodness_of_fit_all_su
- _refine_ls.goodness_of_fit_gt
- _refine_ls.goodness_of_fit_gt_su
- _refine_ls.goodness_of_fit_ref
- _refine_ls.goodness_of_fit_ref_su
- _refine_ls.hydrogen_treatment
- _refine_ls.matrix_type
- _refine_ls.number_constraints
- _refine_ls.number_parameters
- _refine_ls.number_reflns
- _refine_ls.number_reflns_gt
- _refine_ls.number_restraints
- _refine_ls.R_factor_all
- _refine_ls.R_factor_gt
- _refine_ls.R_Fsqd_factor
- _refine_ls.R_I_factor
- _refine_ls.restrained_S_all
- _refine_ls.restrained_S_all_su
- _refine_ls.restrained_S_gt
- _refine_ls.restrained_S_gt_su
- _refine_ls.sample_shape_details
- _refine_ls.sample_shape_expression
- _refine_ls.sample_thickness
- _refine_ls.sample_thickness_su
- _refine_ls.shift_over_su_max
- _refine_ls.shift_over_su_max_lt
- _refine_ls.shift_over_su_mean
- _refine_ls.shift_over_su_mean_lt
- _refine_ls.structure_factor_coef
- _refine_ls.weighting_details
- _refine_ls.weighting_scheme
- _refine_ls.wR_factor_all
- _refine_ls.wR_factor_gt
- _refine_ls.wR_factor_ref
