I have question on how to treat weak data in the refinement. I was using X-PLOR
in refinement, the refinement got stuck at R-free at 0.36, and R at 0.29. But
when I looked at the map, the map looks very good, so I think the model can't
be wrong. The statistics of R is bad, the R ( both test set and working set)
value weak reflection is about 120%, for the rest R is in the range 20%-40%.
There are about 350 weak reflection which have such bad R value.
I am afraid if I need to down-weight the weak reflection or do some thing else.
I don't know if it is possible in X-PLOR to use a cut-off weight for weaker
reflection. I have checked the data reduction, it seemed I can not do too much
for it. The reason for the stuck I think is because the refinement tried to fit
the model to those weak reflections which then bias the model.
Any help will be greatly appreciated.
jinsong
