Data Item _refine.ls_R_factor_obs


Item name
Category name
Attribute name
Required in PDB entries
Used in current PDB entries
Yes, in about 75.8 % of entries

Item Description

Residual factor R for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion. _refine.ls_R_factor_obs should not be confused with _refine.ls_R_factor_R_work; the former reports the results of a refinement in which all observed reflections were used, the latter a refinement in which a subset of the observed reflections were excluded from refinement for the calculation of a 'free' R factor. However, it would be meaningful to quote both values if a 'free' R factor were calculated for most of the refinement, but all of the observed reflections were used in the final rounds of refinement; such a protocol should be explained in _refine.details. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections

Data Type

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Data type detail
float item types are the subset of numbers that are the floating numbers.
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Alias Item Name Dictionary Name Dictionary Version
_refine_ls_R_factor_obs cif_core.dic 2.0.1