Statistics of reflection data and structure refinements.
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Rsym = ∑h(∑j|Ih,j−Ih>|/∑Ih,j), where h = set of Miller indices, j = set of observations of reflection h, and Ih> = the mean intensity. Rcrys = ∑h||Fo,h|−|Fc,h||/∑h|Fo,h|. Rfree was calculated using 10% of the complete data set excluded from refinement. The numbers in parentheses represent values from the highest resolution shell.
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2015-12-02



