Figure 7
PFW-fyo12e. Square root of weights versus plots for refinement regimes (a), (b) and (c). The green lines are unit gradients. (a) corresponds to simple statistical weights. In (b) the weights have been rescaled to give a GoF of unity. The gradient of the observations is 0.2. In (c) the weights are determined from 1/w ≃ σ2(F2) + 0.29F2 + 0.002F4 (SHELX-type weights). The blue line in (c) is drawn at the same gradient (0.2) as the data in the rescaled weights. |