Hi Kay, ok, fair point.
Best, Tim On 10/14/2014 01:02 PM, Kay Diederichs wrote: > Tim, > > I would not consider this as incorrect! What sftools calculates is R_scale, a > symmetric version of an R-value. Makes sense when comparing two data sets, or > two model amplitudes. Clearly, it gives values which differ from model R > values. But at least it defines what it prints out. > > I put this into the wiki ( > http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/R-factors ). > > best, > > Kay > > > On Tue, 14 Oct 2014 02:49:23 +0200, Tim Gruene <t...@shelx.uni-ac.gwdg.de> > wrote: > >> Dear all (dear developers), >> >> on a recent discussion on the phenixbb, Nat figured out that sftools >> calculates the R-factor incorrectly as >> >> "200*Sum|col1-col2|/sum(col1+col2)" >> >> instead of >> >> "100*Sum|col1-col2|/sum(col1)" >> >> May I suggest to either correct this or not call it Rfactor in order to >> avoid future confusion (as it did on the phenibb)? >> >> Best wishes, >> Tim >> -- >> Dr Tim Gruene >> Institut fuer anorganische Chemie >> Tammannstr. 4 >> D-37077 Goettingen >> >> GPG Key ID = A46BEE1A >> >> > -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
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