On Jun 10, 2009, at 9:18 PM, Pavel Afonine wrote:
you can get it using phenix.refine. Just type from the command line:
phenix.refine model.pdb data.mtz strategy=none main.number_of_macro_cycles=1
and hit Enter. Look for the numbers towards the end of log file or output to the screen (after bulk solvent correction and scaling is reported done).
I've never been able to understand the math involved, but isn't the phase error calculated by phenix.refine is based on the estimates of model error (and incompleteness) used for maximum likelihood calculations, not an evaluation of the original experimental phases? If experimental phase restraints were used (which is the default for phenix.refine, and I assume AutoBuild too), they will influence the final phases calculated in phenix.refine, but those will still be biased towards the refined model. ------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]