Data Item _refine_ls_shell.number_reflns_R_free


Item name
Category name
Attribute name
Required in PDB entries
Used in current PDB entries
Yes, in about 74.0 % of entries

Item Description

The number of 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.

Additional Descriptive Information for Depositors

 Within the indicated shell, the number of reflections that satisfy both resolution limits and observation criterion, and that were used pre-allocated as the cross-validation test reflections before a structure solution process. These data were not used in the structure solution and refinement process and were used to calculate the 'free' R factor

Data Type

Data type code
Data type detail
int item types are the subset of numbers that are the negative or positive integers.
Primitive data type code
Regular expression

Allowed Boundary Conditions

Minimum Value Maximum Value


Advisory Boundary Conditions

Minimum Value Maximum Value
1 2000