Figure 2
Observed versus calculated structure factor amplitudes for dynamical refinement (green squares) and kinematical IAM refinement (in Olex2) with all reflections included (red diamonds) and with some omitted (yellow triangles); the omitted reflections are labelled (a list is provided in the supporting information). Arrows point from the labelled reflections to the corresponding reflections in dynamical refinement, a missing arrow indicates a lack of the reflection in the dynamical refinement (some of them were automatically treated as outliers). |