Statistics of data collection and refinement
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资源简介:
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.
创建时间:
2013-02-21



