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Statistics of data collection and refinement

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https://figshare.com/articles/dataset/_Statistics_of_data_collection_and_refinement_/586744
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aRsym =  ∑h∑i |Ii(h)−<I(h)>|/∑h∑i Ii(h), where I is the observed intensity and <I> is the average intensity of multiple observations of symmetry-related reflections. bRrim =  ∑h [N/(N−1)]1/2 ∑i |Ii(h)−<I(h)>|/∑h∑i Ii(h), where I is the observed intensity and <I> is the average intensity of multiple observations of symmetry-related reflections. cRpim =  ∑h [1/(N−1)]1/2 ∑i |Ii(h)−<I(h)>|/∑h∑i Ii(h), where I is the observed intensity and <I> is the average intensity of multiple observations of symmetry-related reflections. dRfactor = Σ||Fo|−|Fc||/Σ |Fo| where |Fo| and |Fc| are observed and calculated structure factor amplitudes, respectively. eRfree is the cross-validation Rfactor computed for a randomly chosen subset of 5% of the total number of reflections, which were not used during refinement. fDiffraction-data precision indicator *Values in parenthesis correspond to the outermost shell.
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2013-02-21
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