[buster-discuss] Get Rfree for each resolution bin

ClAuS Flensburg claus at globalphasing.com
Mon Mar 16 15:13:33 CET 2015

Hi Donald,

On Thu, Mar 12, 2015 at 11:57:10AM -0400, Donald Damian Raymond wrote:
> Hi Clemens,
> Thanks for your response. That is exactly what I was looking for. However, there seems to be a discrepancy in the R values reported after running the rvalue program on refine.mtz and the R values in the PDB file. See below for more information.

this discrepancy is due to 'rvalue' using by default the FC column
rather than the FX column[1]. The latter one, FX, is the expectation
value of the observable structure factor amplitude for the total


% rvalue -fx refine.mtz

(re)produce the expected values (pun intended;-)


ClAuS & Clemens (for buster-develop)

[1] https://www.globalphasing.com/buster/wiki/index.cgi?MTZcolumns
[2] https://www.globalphasing.com/buster/wiki/plugin/attachments/BRrecipCCplot/NewBusterCCplotmaterial.pdf

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