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
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