If HL coefficients are in the .mtz phenix.refine is ignoring my refinement.target= ml specification?
Hi all (again) 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. 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?) Over 80% of the ASU is built with R/Rfree in high 20's for 1.7 A data. Cheers FR --------------------------------------------- Francis Reyes M.Sc. 215 UCB University of Colorado at Boulder gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
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.
participants (2)
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Francis E Reyes -
Pavel Afonine