Data Item _refine_ls_shell.R_factor_R_free


Item name
Category name
Attribute name
Required in PDB entries
Used in current PDB entries
Yes, in about 76.1 % of entries

Item Description

Residual factor R for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_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

Additional Descriptive Information for Depositors

 Within the indicated shell,  the number of reflections that satisfy both resolution limits and observation criterion, but not used throughout  structural solution and refinement. i.e. the data pre-allocated for cross-validation R-free calculation

Data Type

Data type code
Data type detail
float item types are the subset of numbers that are the floating numbers.
Primitive data type code
Regular expression

Allowed Boundary Conditions

Minimum Value Maximum Value


Advisory Boundary Conditions

Minimum Value Maximum Value
0.1 0.45
0 1