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Item _refln.ccp4_SAD_HL_B_iso

Description

 The isomorphous Hendrickson-Lattman coefficient B~iso~ for this
   reflection for this derivative.
             -2.0 * (Fp~obs~^2^ + Fh~calc~^2^ - Fph~obs~^2^)
                  *  Fp~obs~ * sin(alphah~calc~)
   B~iso~ =  -----------------------------------------------
                                  E2^
 
   E            = (Fph~obs~ - Fp~obs~ - Fh~calc~)2^
                  for centric reflections
                = [(Fph~obs~ - Fp~obs~) * 21/2^ - Fh~calc~]^2^
                  for acentric reflections
 
   Fp~obs~      = the observed structure factor amplitude of the
                  native
   Fph~obs~     = the observed structure factor amplitude of the
                  derivative
   Fh~calc~     = the calculated structure factor amplitude
                  from the heavy atom model
   alphah~calc~ = the phase calculated from the heavy atom model

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Mandatory Code

Data Type Code

 

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