 |
 |
Keep on using the master file. Refmac "corrects" the observations in a few ways The overall anisotropic B correction is always applied In the worst case scenario where you are refining considering twinning the 2FP2 output is no longer the observed FP but one after a detwinning correction.. So always stick with the master file..Eleanor On 1 July 2014 13:40, Mark J van Raaij <[log in to unmask]> wrote: > Using the "master mtz file" (as you call it) is the safe thing to do. > If you use the previous refmac output file, you have to careful the right > structure factor columns are selected. They should be non-modified by the > previous refmac run, otherwise you are refining both the data and the model. > > Mark J van Raaij > Lab 20B > Dpto de Estructura de Macromoleculas > Centro Nacional de Biotecnologia - CSIC > c/Darwin 3 > E-28049 Madrid, Spain > tel. (+34) 91 585 4616 > http://www.cnb.csic.es/~mjvanraaij > > > > > > On 1 Jul 2014, at 14:35, Dilip Badjugar wrote: > > > Dear CCP4bb users and Refinement experts, > > > > As input for (n+1)st run of refmac, should I use as input reflection > file the output produced by refmac in the nth run? Currently I have been > giving the master mtz file as input for all runs. > > > > I would appreciate the clarification from the community. > > > > Thanking you > > > > Dilip Badgujar > > Graduate Student > > ACTREC > > > > > > >