Data Item _refine_ls_shell.number_reflns_R

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General

Item name: _refine_ls_shell.number_reflns_R_free
Category name: refine_ls_shell
Attribute name: number_reflns_R_free
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 (i.e., excluded from refinement) reflections when refinement included 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

 The number of crystallographically unique reflections that satisfy both the shell 
resolution and observation limits and that were excluded from refinement for 
cross-validation in a "free" R-factor set.

Additional Item Example for Depositors

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Data Type

Data type code: int
Data type detail: int item types are the subset of numbers that are the negative or positive integers.
Primitive data type code: numb
Regular expression: -?[0-9]+

Allowed Boundary Conditions

Minimum Value	Maximum Value
0	+∞

Data Item _refine_ls_shell.number_reflns_R_free