Alun R. Coker wrote:
Hi All,
I have been in the habit of transferring my initial free R assignments
to any new data sets or to isomorphous data sets such as substrate
complexes. Although theoretically this is necessary to obtain a valid
free R many of my colleagues maintain that this is completely
unnecessary in practice. Does anyone on the list have a view on this
or has anyone tested to see if it makes any difference.
Alun.
I believe it is important, especially at the initial stages of a new
refinement. Of course if you dont your FreeR values will climb remorsely
back to a proper value, but it is depressing watch it rise and means the
initial cycles are not properly weighted..
Eleanor
