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X-Ray Data and Structure Refinement Statistics.

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https://figshare.com/articles/dataset/_X_Ray_Data_and_Structure_Refinement_Statistics_/350807
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aValues in parenthesis are data for the highest resolution shell. bRsym = ΣI−<I>/ΣI, where I is the observed intensity and <I> the average intensity. cR-factor = Σh ∥Fobs|−|Fcalc∥/Σh |Fobs|, where |Fobs| and |Fcalc| are observed and calculated structure factors amplitudes for all reflections (R-factor). Rfree, R based on 5% of the data, withheld for the cross-validation test. dRMSD: root mean square deviation. eUsing PROCHECK.
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2012-02-20
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