Data collection, phasing and refinement statistics.
- Peter Canning (483663)
- Dean Rea (483664)
- Rory E. Morty (341515)
- Vilmos Fülöp (483665)
Publication date
November 2013
DOIAbstract
<p>Numbers in parentheses refer to values in the highest resolution shell.</p>a<p><i>R</i><sub>sym</sub> = Σ<sub>j</sub>Σ<sub>h</sub>|<i>I</i><sub>h,j</sub>−<<i>I</i><sub>h</sub>>|/Σ<sub>j</sub>Σ<sub>h</sub><<i>I</i><sub>h</sub>> where <i>I</i><sub>h,j</sub> is the jth observation of reflection h, and <<i>I</i><sub>h</sub>> is the mean intensity of that reflection.</p>b<p><i>R</i><sub>cryst</sub> = Σ||<i>F</i><sub>obs</sub>|−|<i>F</i><sub>calc</sub>||/Σ|<i>F</i><sub>obs</sub>| where <i>F</i><sub>obs</sub> and <i>F</i><sub>calc</sub> are the observed and calculated structure factor amplitudes, respectively.</p>c<p><i>R</i><sub>free</sub> is equivalent to <i>R</i><sub>cryst</sub> for a 4% subset of reflections not used in the refinement.</p
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