Data Item _refine_ls_shell.correlation_coeff_Fo_to_Fc
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General 
- Item name
- _refine_ls_shell.correlation_coeff_Fo_to_Fc
- Category name
- refine_ls_shell
- Attribute name
- correlation_coeff_Fo_to_Fc
- Required in PDB entries
- no
- Used in current PDB entries
- No
Item Description
The correlation coefficient between the observed and
calculated structure factors for reflections that satisfy the
resolution limits established by _refine_ls_shell.d_res_high
and _refine_ls_shell.d_res_low included in the refinement.
The correlation coefficient is scale-independent and gives
an idea of the quality of the refined model.
sumi(Foi Fci - <Fo><Fc>)
Rcorr = ------------------------------------------------------------
SQRT{sumi(Foi)2-<Fo>2} SQRT{sumi(Fci)2-<Fc>2}
Fo = observed structure factors
Fc = calculated structure factors
<> denotes average value
summation is over reflections included in the refinement
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]+)?
Advisory Boundary Conditions
| Minimum Value | Maximum Value |
|---|---|
| 0.8 | 1 |
| 0 | 1 |