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X-ray Data collection and refinement statistics.

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posted on 2013-02-20, 06:32 authored by Jianbin Ruan, Hui Ouyang, Maria F. Amaya, Mani Ravichandran, Peter Loppnau, Jinrong Min, Jianye Zang
a

The values in parentheses refer to statistics in the highest shell.

b

Rmerge = |Ii−|/|Ii| where Ii is the intensity of the ith measurement, and is the mean intensity for that reflection.

c

Rwork = Σh|Fo(h)−Fc(h)|/ΣhFo(h), where Fo and Fc are the observed and calculated structure factor amplitudes, respectively.

d

Rfree was calculated with 10% of the reflections in the test set.

e

Categories were defined by MolProbity.

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