Data Item _refine.ls_R_factor_obs
Browse:
General 
- Item name
- _refine.ls_R_factor_obs
- Category name
- refine
- Attribute name
- ls_R_factor_obs
- Required in PDB entries
- no
- Used in current PDB entries
- Yes, in about 77.3 % of entries
Item Description
Residual factor R for reflections that satisfy the resolution
limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion.
_refine.ls_R_factor_obs should not be confused with
_refine.ls_R_factor_R_work; the former reports the results of a
refinement in which all observed reflections were used, the
latter a refinement in which a subset of the observed
reflections were excluded from refinement for the calculation
of a 'free' R factor. However, it would be meaningful to quote
both values if a 'free' R factor were calculated for most of
the refinement, but all of the observed reflections were used
in the final rounds of refinement; such a protocol should be
explained in _refine.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
Residual factor R for reflections that satisfy the high and low resolution limits and the observed criterion
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 | 1.0 |
Advisory Boundary Conditions
| Minimum Value | Maximum Value |
|---|---|
| 0.1 | 0.3 |
Related Items 
| Related Item Name | Relation Type |
|---|---|
| _refine.ls_wR_factor_obs | alternate |
Aliases
| Alias Item Name | Dictionary Name | Dictionary Version |
|---|---|---|
| _refine_ls_R_factor_obs | cif_core.dic | 2.0.1 |