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S are as follows: Rw F2 = {Ów(|Fo|2 - |Fc|2)2/Ów(|Fo|)4}1/2 where w is the weight given each refl ection. R(F) = Ó (|Fo| - |Fc|)/Ó|Fo|} for refl ections with Fo > 4(ó(Fo)). S = [Ów(|Fo|2 - |Fc|2)2/ (n - p)]1 1/2 2 where n is the number of refl ections and p is the number of refi ned parameters.
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Defi nitions used for calculating R(F), Rw(F2) and the goodness of fi t, S, are as follows: Rw(F2) = {Ów(|Fo|2 - |Fc|2)2/Ów(|Fo|)4}1/2 where w is the weight given each refl ection. R(F) = Ó (|Fo| - |Fc|)/Ó|Fo|} for refl ections with Fo > 4(ó(Fo)). S = [Ów(|Fo|2 - |Fc|2)2/ (n - p)]1/2, where n is the number of refl ections and p is the number of refi ned parameters.
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2 and the Goodness of Fit
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