Data Item _refine_ls_shell.percent_reflns_R_free

General

Item name
_refine_ls_shell.percent_reflns_R_free
Category name
refine_ls_shell
Attribute name
percent_reflns_R_free
Required in PDB entries
Used in current PDB entries
Yes, in about 10.3 % 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, expressed as a percentage of the number of geometrically observable reflection that satisfy the reflection limits.

Additional Descriptive Information for Depositors

 
               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, expressed as 
               a percentage of the number of geometrically observable 
               reflection that satisfy the reflection limits. 

Additional Item Example for Depositors

 10.61

Data Type

Data type code
float
Data type detail
int item types are the subset of numbers that are the floating numbers.
Primitive data type code
numb
Regular expression
-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?