[phenixbb] refine : "merged" in .def

Nathaniel Echols nechols at lbl.gov
Fri Oct 29 13:13:32 PDT 2010

On Fri, Oct 29, 2010 at 1:07 PM, Bryan Lepore <bryanlepore at gmail.com> wrote:
>> the "merged" appears only if the input mtz contains symmetry->equivalent hkl.  >phenix.refine merges symmetry-equivalent reflections to obtain >exactly
>> one reflection in the reciprocal-space asymmetric unit. (The merging
>> algorithm is very simple
> ... that makes sense - IIRC, phenix can write out all reflections/flag
> data again in a .mtz, so "merged" would show up then?

No, but the output data will indeed be merged (and possibly converted
to amplitudes - it may depend on the program).  PHENIX handles MTZ
files much differently than CCP4 does, and there are further
complications involving the use of other formats, so you can't assume
to much about how the labels we report correspond to column labels in
the MTZ file.


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