R-factors: Difference between revisions

10 bytes removed ,  18 March 2015
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* Sets of reflections used for calculating R<sub>free</sub> should be maintained throughout a project. This is nicely discussed at http://www.bmsc.washington.edu/people/merritt/xplor/rfree_example.html . Note that none of the programs mentioned for selecting thin shells will allow you to extend the set of shells to higher resolution if you want to preserve your existing R-free set.
* Sets of reflections used for calculating R<sub>free</sub> should be maintained throughout a project. This is nicely discussed at http://www.bmsc.washington.edu/people/merritt/xplor/rfree_example.html . Note that none of the programs mentioned for selecting thin shells will allow you to extend the set of shells to higher resolution if you want to preserve your existing R-free set.


* R-values and twinning: [http://www.science.az/acm/V10,%20N2,%202011,%20pdf/250-261.pdf Garib N. Murshudov (2011) "Some properties of crystallographic reliability index - Rfactor: effect of twinning" Appl. Comput. Math., V.10, N.2, 2011, pp.250-261]. From the paper, the R-value table for random models is:
* R-values and twinning: [http://www.ysbl.york.ac.uk/refmac/papers/Rfactor.pdf Garib N. Murshudov (2011) "Some properties of crystallographic reliability index - Rfactor: effect of twinning" Appl. Comput. Math., V.10, N.2, 2011, pp.250-261]. From the paper, the R-value table for random models is:
       twinning  twinning not
       twinning  twinning not
       modelled  modelled
       modelled  modelled
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