Data Item _phasing_MIR_der_refln.HL_B_iso
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General 
- Item name
- _phasing_MIR_der_refln.HL_B_iso
- Category name
- phasing_MIR_der_refln
- Attribute name
- HL_B_iso
- Required in PDB entries
- no
- Used in currrent PDB entries
- No
Item Description
The isomorphous Hendrickson-Lattman coefficient Biso for this
reflection for this derivative.
-2.0 * (Fpobs2 + Fhcalc2 - Fphobs2)
* Fpobs * sin(alphahcalc)
Biso = -----------------------------------------------
E2
E = (Fphobs - Fpobs - Fhcalc)2
for centric reflections
= [(Fphobs - Fpobs) * 21/2 - Fhcalc]2
for acentric reflections
Fpobs = the observed structure factor amplitude of the
native
Fphobs = the observed structure factor amplitude of the
derivative
Fhcalc = the calculated structure factor amplitude
from the heavy atom model
alphahcalc = the phase calculated from the heavy atom model
Data Type 
- Data type code
- float
- Data type detail
- int 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]+)?