Figure 4
Raw reflections (a) and merged reflections (b) as measured by a 180° sweep for a triclinic crystal. The experiment was simulated with the GPhL program SimCal, using ray tracing, for a Dectris PILATUS 6M detector (Dectris, 2025 ), with a 1 Å wavelength and a limit resolution of 1.93 Å, to give a maximum reflection angle 2θ of 15°. (a) shows all raw measured reflections. A trumpet-shaped cusp of reflections around the rotation axis cannot be measured regardless of the length of the sweep. The two cusps are connected by a ditch of unmeasured reflections, which is counterbalanced by a ridge of symmetry-equivalent reflections that are measured twice (not visible in the figure), giving 100% non-anomalous completeness for all reflections outside the cusp. (b) shows the merged reflections for one hemisphere, colour-coded by redundancy relative to a 360° sweep. One of the cusps is clearly visible; the red rings of lower multiplicity arise from module gaps on the detector. |