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. 2014 Jan 30;47(Pt 1):346–359. doi: 10.1107/S1600576713031002

Table 3. Partial search results for BGAOL and XDS for the test cell, Inline graphic, Inline graphic, Inline graphic Å, Inline graphic, Inline graphic, Inline graphic° from Kabsch (1993 ▶).

The BGAOL columns show the Inline graphic distance and the Inline graphic degrees-of-freedom weighted Z score, assuming errors of 0.2 in edges and 0.1 on angles, which in this case corresponds to a Inline graphic error estimate of 61.3 Å2. The XDS QI (quality indicator) and scaled QI columns show the raw deviations from Niggli reduction and the same deviations scaled by Inline graphic and capped at 999 as per Kabsch (2013 ▶). Only the three most promising lattice types are shown. The structure solution gave oC. Inline graphic distances are in units of Å2.

Lattice character Inline graphic distance BGAOL Z score XDS QI Scaled QI
mP 20.138 0.657 1.0 0.13
oC 125.958 3.560 23.8 3.09
mC 125.150 4.085 23.4 3.03