[phenixbb] If HL coefficients are in the .mtz phenix.refine is ignoring my refinement.target= ml specification?
Pavel Afonine
PAfonine at lbl.gov
Fri May 8 16:45:21 PDT 2009
Hi Francis,
> It seems that despite me specifying refinement.main.target=ml in my
> def file, phenix.refine seems to want to keep refining against HL
> coefficients.
If your input data file contains HL coefficients, phenix.refine
automatically chooses to use them in refinement. To disable this, use
"main.use_experimental_phases=false" parameter.
> It seems overtly out of the way to remove the HL
> coefficients definition (both the label and file) from the def file as
> well. Am I doing something wrong then (i.e. does it keep going back to
> refining experimental phases for some valid reason?)
Run two refinements in parallel: with and w/o using HL, and see which
one ends up with better statistics. Allow enough of macro-cycles for
both refinements to assure full convergence (5-10).
Pavel.
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