X-Ray Data and Structure Refinement Statistics.
- Luis Mariano Polo (182468)
- Fernando Gil-Ortiz (170333)
- Angel Cantín (182471)
- Vicente Rubio (170338)
Publication date
February 2012
DOIAbstract
a<p>Values in parenthesis are data for the highest resolution shell.</p>b<p><i>R</i><sub>sym</sub> = Σ<i>I</i>−<<i>I</i>>/Σ<i>I</i>, where <i>I</i> is the observed intensity and <<i>I</i>> the average intensity.</p>c<p><i>R</i>-factor = Σ<i><sub>h</sub></i> ∥<i>F</i><sub>obs</sub>|−|<i>F</i><sub>calc</sub>∥/Σ<i><sub>h</sub></i> |<i>F</i><sub>obs</sub>|, where |<i>F</i><sub>obs</sub>| and |<i>F</i><sub>calc</sub>| are observed and calculated structure factors amplitudes for all reflections (<i>R</i>-factor). <i>R</i><sub>free</sub>, R based on 5% of the data, withheld for the cross-validation test.</p>d<p>RMSD: root mean square deviation.</p>e<p>Using PROCHECK.</p
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