Data Item _refine_ls_class.wR_factor_all
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General 
- Item name
- _refine_ls_class.wR_factor_all
- Category name
- refine_ls_class
- Attribute name
- wR_factor_all
- Required in PDB entries
- no
- Used in currrent PDB entries
- No
Item Description
For each reflection class, the weighted residual factor for all
reflections included in the refinement. The reflections also
satisfy the resolution limits established by
_refine_ls_class.d_res_high and _refine_ls_class.d_res_low.
See also the _refine_ls_class.R_factor_ definitions.
( sum w [ Y(obs) - Y(calc) ]2 )1/2
wR = ( ------------------------------ )
( sum w Y(obs)2 )
Y(obs) = the observed amplitude specified by
_refine.ls_structure_factor_coef
Y(calc) = the calculated amplitude specified by
_refine.ls_structure_factor_coef
w = the least-squares weight
and the sum is taken over the reflections of this class.
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 | +∞ |
Aliases
| Alias Item Name | Dictionary Name | Dictionary Version |
|---|---|---|
| _refine_ls_class_wR_factor_all | cif_core.dic | 2.3 |