X-ray data collection and crystal structure refinement statistics.
- Paulina Bartasun (285943)
- Hubert Cieśliński (285944)
- Anna Bujacz (285945)
- Anna Wierzbicka-Woś (285946)
- Józef Kur (285947)
Publication date
February 2013
DOIAbstract
1<p>Values in parentheses correspond to the last resolution shell.</p>2<p>R<sub>int</sub> = ∑<sub>h</sub>∑<sub>j</sub> | I<sub>hj</sub>−h> |/∑<sub>h</sub>∑<sub>j</sub> I<sub>hj</sub>, where I<sub>hj</sub> is the intensity of observation j of reflection h.</p>3<p>R = ∑<sub>h</sub> | | F<sub>o</sub>|−| F<sub>c</sub>| |/∑<sub>h</sub> | F<sub>o</sub>| for all reflections, where F<sub>o</sub> and F<sub>c</sub> are observed and calculated structure factors, respectively.</p><p>R<sub>free</sub> is calculated analogously for the test reflections, randomly selected and excluded from the refinement.</p
Add to ORKG