[phenixbb] phaser_x.mtz, resolve_x.mtz and exptl_fobs_phases_freeR_flags.mtz give different Rfree's using same model?
Francis E Reyes
Francis.Reyes at Colorado.EDU
Tue May 20 08:17:15 PDT 2008
Ok. I think I have a case where I can't refine unless I use density
modified experimental phases.
I did an autosol run where I specified build=False so I don't have an
exptl_fobs_phases_freeR_flags.mtz, but I do have phaser_1.mtz and
However, when I refine my model using mlhl my Rfree drops below 30
when using resolve_x.mtz and not phaser_x.mtz nor using the original
d*trek ref using the same model? Using any of the other mtz's results
in Rfree's in the mid 30s. Interestingly refining against the original
d*trek results in an increase of Rfree with macro cycle?
I checked the log file for resolve_x.mtz and although it says it's
using the mlhl refinement target, it seems to be using FP, SIGFP (not
the HL coefficients that I thought phased refinement would use) as
evidenced by the .log file under 'Non-default parameters'. In this
section it doesn't read in the HL cofficients? Is there any indication
that it's actually refining against the phases?
Any insight as to which mtz to use for final refinement would be
What is the refinement target ml_sad?
Francis Reyes M.Sc.
University of Colorado at Boulder
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