Data Item _phasing_MIR_der_shell.R_kraut
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General 
- Item name
- _phasing_MIR_der_shell.R_kraut
- Category name
- phasing_MIR_der_shell
- Attribute name
- R_kraut
- Required in PDB entries
- no
- Used in currrent PDB entries
- No
Item Description
Residual factor Rkraut for general reflections for this
derivative in this shell.
sum|Fphobs - Fphcalc|
Rkraut = -------------------------
sum|Fphobs|
Fphobs = the observed structure-factor amplitude of the
derivative
Fphcalc = the calculated structure-factor amplitude of the
derivative
sum is taken over the specified reflections
Ref: Kraut, J., Sieker, L. C., High, D. F. & Freer, S. T.
(1962). Proc. Natl Acad. Sci. USA, 48, 1417-1424.
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 | +∞ |