On Fri, August 17, 2007 10:56 am, Eleanor Dodson wrote: > There are obvious ones like - incomplete structure etc, but have you > tried TLS? Sometimes this can dramaticaly improve the R factors. >
When people run TLS, are they trying to improve the R-factors, or actually generate a reasonable model for the structure? I really think people should be extremely cautious in just turning on the TLS option with dozens of arbitrary groups during refinement without thinking about the resultant model. Bernie Santarsiero
