Re: [phenixbb] refine : "merged" in .def

Hi Bryan, 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; it is better to merge with a dedicated data reduction program.) Ralf ----- Original Message ----

From: Bryan Lepore To: PHENIX user mailing list Sent: Fri, October 29, 2010 12:44:51 PM Subject: [phenixbb] refine : "merged" in .def

[ dev-564 on GNU/Linux ]

why does phenix - apparently - keep putting the label "merged" in output .def's, when neither the input .def or .mtz has this label - and what generally is the significance?

the .mtz has separate Bijvoets, and I's. e.g:

input .def: (concise) labels = "I(+),SIGI(+),I(-),SIGI(-)" label = "R-free-flags"

output .def: labels = "I(+),SIGI(+),I(-),SIGI(-),merged" label = "R-free-flags"

i re-checked the .mtz lacks "merged" (not shown).

-bryan _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb