multiscale {} end :== ffk= --{Adjust overall scale. Default=0} selection= --{Which structure factors to use in scaling. Default=(all)} set1= --{Reference set for scaling. Default=fobs} k1= --{Scale factor for the reference set. Default=-1} b1= --{B-factor for the reference set. Default=0} set2= --{Set to be scaled. Default=fcalc} k2= --{Scale factor for this set. Default=none} b2= --{B-factor for this set. Default=none} set<3..20>= --{Set to be scaled. Default=none} k<3..20>= --{Scale factor for this set. Default=none} b<3..20>= --{B-factor for this set. Default=none} mode=target|tlow --{default=target} --{Least-squares optimize parameters for the target} --{================================================} update= --{Update parameters and multiply by overall scale factor. Default=true} anisotropic= --{If true then the anisotropic components are refined. Default=false} isotropic= --{If true then the isotropic thermal factor is refined. If false then the trace is restricted to zero. Default=true} restriction=all|offd|none --{Restrictions due to symmetry for anisotropic B-factor refinement: - all: all parameters (default) - offd: off-diagonal only - none: no restrictions} --{The target to be minimized is: Target = sum(hkl) ( k1 exp(-b1 s^2/4) operand(set1) + k2 exp(-b2 s^2/4) operand(set2) + ... k20 exp(-b20 s^2/4) operand(set20) ) The sum is performed over selected reflections. Optimization is performed by the method of least-squares. If ki or bi are positive they are treated as fixed. The results of optimization are returned in symbols: $k1, $k2, $k3 .... $k20 $b1, $b2, $b3 .... $b20 for isotropic B-factors $b2_11, $b2_12 ... $b_33 for anisotropic B-factors} --{Least squares minimization options:} --{===================================} ncyc= --{Number of least-squares minimization cycles. Default=30} diag= --{Diagonal approximation for least-squares matrix. Default=0} eps= --{Epsilon for convergence test. Default: 0.001} ksmin= --{The minimum kscale restraint allowed. Default=0.0} bmin= --{The minimum bscale restraint allowed. Default=-500.0} bmax= --{The maximum bscale restraint allowed. Default=500.0} uniform=k|b --{Uniform=k: refine one uniform scale factor. Uniform=b: refine one uniform B-factor. Default=none} kinitial= --{The initial scale factor for all non-fixed scale factors. Default=1.0} binitial= --{The initial B-factor for all non-fixed B-factors. Default=0.0} --{Options for overall scale factors} --{=================================} resk= --{The resolution boundary for two overall scale factors. Default=0.0A} ffk1= --{Fixed overall scale factor for low resolution range. Default=0.0A} ffk2= --{Fixed overall scale factor for high resolution range. Default=0.0A}