Debajyoti Dutta wrote:
Dear All,
I am little curious while refining my structure with refmac5.
Each refinement of refmac produces two main files one mtz and one pdb. Will
there be any difference with taking the latest mtz vs taking the oldest mtz
with the latest pdb.
Thank you for your help.
Sincerely
Debajyoti Dutta
You should always use the original merged reflection file with the
latest pdb.
The mtz output from refmac has the Fobs scaled by the scale factor for
that run, and is therefore farther from the experiment..
In some version rfefmac if you used twin refinement the "Fobs" is
actually an estimate of the detwinned amplitude.
Eleanor
