[buster-discuss] buster output MTZ columns

[Edwin Pozharski]

Hello,

is the R-value reported in output PDB file supposed to match
sum(|FC-FOSC|)/sum(FOSC)?  I took an output MTZ file from a BUSTER
refinement and when I get R~23.9% while in the output PDB file it says
0.2003.

Personally, I couldn't care less what the absolute R-value is in this or
any other dataset (as long as it's ~(0.10-0.15)*resolution).  But I wonder
whether BUSTER calculates R-value in some other way.

Cheers,
Ed.
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