Data Item _refine_ls_shell.R_factor_R_free
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General 
- Item name
- _refine_ls_shell.R_factor_R_free
- Category name
- refine_ls_shell
- Attribute name
- R_factor_R_free
- Required in PDB entries
- no
- Used in current PDB entries
- Yes, in about 74.4 % 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
- float
- Data type detail
- float 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]+)?
Allowed Boundary Conditions
| Minimum Value | Maximum Value |
|---|---|
| 0.0 | +∞ |
Advisory Boundary Conditions
| Minimum Value | Maximum Value |
|---|---|
| 0.1 | 0.45 |
| 0 | 1 |
Related Items 
| Related Item Name | Relation Type |
|---|---|
| _refine_ls_shell.wR_factor_R_free | alternate |
| _refine_ls_shell.R_factor_R_free_error | associated_error |