[phenixbb] Is it harmful to to use Imean SigImean in Phenix Refine by default?

Dorothee Liebschner dcliebschner at lbl.gov
Mon Dec 4 10:04:07 PST 2017


My standard ploy is to use CAD to strip out Imean and SigImean from the MTZ
> file so that phenix.refine cannot attempt to "outsmart" me again.  And by
> outsmart I really mean "usurp my intentions".

You can choose the labels to be used in refinement with the keyword "
input.xray_data.labels=XXXXXX" (<~ put label name here) in the command
line, or by choosing the desired label in the drop down menu in the GUI. So
it should not be necessary to strip out additional data columns in the
reflection file.

If it happens that phenix.refine (or any other Phenix tool) overrides your
explicit input, it would be good to let us know, so we can address the

As already mentioned in this thread, if labels are not specified (= user
intention is not conveyed to the program), default behavior is to use IOBS.

Best wishes,

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