Statistics of crystallographic analysis.
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https://figshare.com/articles/dataset/_Statistics_of_crystallographic_analysis_/680764
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aCompleteness and R-merge, are given for overall data and for the highest resolution shell.
The highest resolution shells for the dataset were 2.54–2.50 Å.
bRmerge = ∑ | Ii – <I> |/∑|Ii|; where Ii is intensity of an observation and <I> is the mean value of that reflection and the summations are over all equivalents.
cR-work = ∑h || Fo(h) | – | Fc(h) ||/∑hFo(h); where Fo and Fc are the observed and calculated structure factor amplitudes, respectively. The R-free was calculated with 5% of the data excluded from the refinement.
创建时间：
2013-04-11
