Twin Refinement in SHELXL-97

Method of Pratt, Coyle and Ibers:

osf = overall scale factor
km = fractional contribution of twin domain m
Fcm = Fc of twin domain m

(n-1) of the fractional contributions can be refined.

TWIN r11 r12 r13r21 r22 r23 r31 r32 r33 n

BASF k2 k3 ... kn

or

MERG 0

BASF k2 k3 ... kn

HKLF 5

C. S. Pratt, B. A. Coyle, J. A. Ibers,J. Chem. Soc. 2146, 1971

G. B. Jameson, Acta Crystallogr. A38,817, 1982