Table 5. R.m.s.d. of reflections on the front detector.

R.m.s.d.s of the observations versus the predictions are listed at each cycle of indexing and refinement for each mode, hierarchical and expanding. Step: stage in refinement procedure. Initial: r.m.s.d. of indexed reflections before refinement. Cycle 1: r.m.s.d. of reflections after refinement. Cycles 2–4: r.m.s.d.s after reindexing using the metrology of the previous cycle and re-refining the same set of images. The overall r.m.s.d. is listed, which is the r.m.s.d. of all reflections in the data set for the cycle. The ‘common set’ r.m.s.d. is also listed, which is the r.m.s.d. of reflections that were indexed in every data set between both modes (218 954 reflections).

	Hierarchical				Expanding
			R.m.s.d. (µm)				R.m.s.d. (µm)
Step	No. of images	No. of reflections	Overall	Common set	No. of images	No. of reflections	Overall	Common set
Initial	3000	700222	221.0	157.9	3000	700222	221.0	157.9
Cycle 1	2999	621516	138.6	62.9	3000	580093	129.4	60.1
Cycle 2	2727	383446	81.5	56.5	2701	328309	62.3	50.1
Cycle 3	2705	361339	76.0	55.4	2684	302271	54.4	47.9
Cycle 4	2712	355910	73.6	54.8	2709	298874	51.6	48.0