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Figure 5
(a) A clear bimodal distribution of the histogram of pairwise Rij values is a strong indicator of the presence of an indexing ambiguity. (b) The vectors x determined by the minimization of equation (2)[link] in dials.cosym. The separation of the vectors into two clusters indicates the presence of an indexing ambiguity. (c, d) Stereographic projections of crystal orientations for TehA crystals, representing the direction of hkl = 100 and hkl = 001 for each crystal, respectively, relative to the beam direction (z), which is shown as the central `+' into the page. A point close to the centre of the circle indicates that the crystal axis is close to parallel to the beam, whereas a point close to the edge of the unit circle indicates that the crystal axis is close to perpendicular to the beam. Preferential orientation can lead to regions with systematically low multiplicity or missing reflections. (e) shows the reflection multiplicities in the 0 kl plane, where white corresponds to missing reflections. (f) The bivariate distribution of multiplicities is also indicative of an uneven distribution of multiplicities.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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