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
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 | +∞ |
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 |