-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear all,
especially at the beginning of model building and/or at low resolution both Rfree and "-LL free" as reported in the refmac logfile show a minimum at a some cycle before rising again. I am certainly not the only one tempted to first run refmac with a large number of refinement cycles, determine that minimum and rerun refmac with ncyc set to that minimum. Of course I want the resulting model and phases/map to be as close to the what's in the crystal as possible in order to facilitate model building. Is it therefore good practice to interrupt refmac wherever it finds a minimum (if so, the minimum w.r.t. which number reported in the log-file)? Thanks for everyone's opinion and experience, Tim - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.11 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFOVReTUxlJ7aRr7hoRAqyzAKCZpMJPVSQJTDEoWGxZEymwvqfFcACeMNLL rvIDPlXiL5HQmoNm7yrTt6k= =UnKT -----END PGP SIGNATURE-----
