Bernhard is right, sorry. Ignore me!
Kevin
Bernhard Lohkamp wrote:
Hi,
the automatic selection of structure factors for refinement happens in
Refmac and not in Coot. This is one for Garib. I dont know exactly how
Refmac chooses which structure factors to use, but it certainly should
write the selected ones in the log file (maybe newer versions of refmac
already do so?!). If you want to make sure Refmac uses the structure
factors you want, then select the corresponding option and do not trust
Refmac to do the job for you. Furthermore you probably should work with
the original mtz file when doing refinement. In that case there wont be
too many different options to pick the 'wrong' structure factors for
refinement as well.
Hope this helps,
B
P.S. Kevin, I guess you misunderstood the problem. It's about SF used in
refmac (via Coot) rather than (auto)open mtz files.
Dear Paul,
There seems to be a problem with the automatic asignment for F and
SIGF when using a file from phaser (processed by autoproc). The FCTR
column seems to be used instead of F but there is no reference what
has been used in the logfile (sample attached). Unfortunately the only
indication something went wrong is the high R-Factor, which in this
case could also be due to the fact that the MR solution is incorrect.
Best rega <<refmac-from-coot-0.log>> rds,
Alexander
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