I am using the "reflection file editor" in phenix 1.8.1-1168 to
generate my test set (with the GUI).
I have NCS so I ticked the box "assign test set in thin resolution
shells".
I also have twinning, and want to have my Rfree not biased by twin
related reflections. I guess the option "use lattice symmetry to
generate test set" is the one I should use for this purpose? I
couldn't find much information online about this option. No log file
has been generated so I can't check what happened.
I am supposing xtriage is ran in the background and if a twin law is
found, then used to generate the test set.
My output from xtriage is:
And indeed if I check
in mtzdmp the output mtz, reflections in the test set are related by
(-k, -h, -l); disclaimer: I only checked in the plane (h,k,0).
I would like to be sure my Rfree is generated correctly.
Alternatively, what would happen when multiple twin laws are
available? Is the most probale used? Is it possible to specify the
editor which law to use?
Thank you for your help.
Vincent
--
Vincent Chaptal, PhD
Institut de Biologie et Chimie des Protéines
Drug-resistance modulation and mechanism Laboratory