when you start you refinement in
phenix with ***.sca file, fraction of
reflection in test set will be created. under
options (bottom) in phenix refine, you
could see that fraction of reflection in test
set is 0.1 which means 10 %
by looking to the PDB header for
completely different structures (below) you
will find different percentage but always FREE
R VALUE TEST SET COUNT is around 3800. so it
always take the same 3800 count regardless the
number of reflections.
When you look in generated mtz file
after the refinement, you see under
R-free-flags(+) and R-free-flags(-) either 0
or 1. what does 0 or 1 mean?
Thank you in advance for explanation.
number
of reflection : 47312
number
of reflections (non-anomalous): 24389
R
value (working set): 0.1673
free
R value : 0.2084
free
r value test set size (%): 8.21
free
R value test set count : 3882
number of
reflection : 107005
number of
reflections (non-anomalous): 56251
R value (working
set):0.1534
free R value :
0.1997
free r value
test set size (%): 3.51
free R value
test set count : 3809
number of
reflection : 48150
number of
reflections (non-anomalous): 25296
R value
(working set): 0.1470
free R value :
0.1918
free r value
test set size (%): 7.98
free R value
test set count : 3841
TKDawoD