[phenixbb] Transfer FreeR and FreeR test set flag value

Matthew Chu linghonmatthew at gmail.com
Fri Sep 4 13:24:36 PDT 2015

Dear All,

I am trying to refine my model against a higher resolution dataset. My
colleage's old-low resolution dataset was processed in HKL/scalepack and
the FreeR was assigned by Phenix.reflection file editor, which I assume the
test set was marked as "1". Now I got a new-higher resolution dataset, and
plan to process it in XDS/Aimless. I want to transfer the FreeR set from
his old mtz and also use his low res model for the new refinement. My
question is, when I transfer the FreeR set from his old mtz with flag value
as "1" in Aimless, is the flag value now "1" or "0" in the new mtz output
by Aimless? Can Aimless recognize the FreeR flag from the old mtz which are
marked as "1"?

I also read an old post from Nat Echols in 2011: "For Phenix, 1 is test, 0
is work, but you could reverse this and it will still figure out what to do
automatically", so does it mean it doesn't matter if the FreeR is "1" or
"0" in the mtz from Aimless, if I use phenix.refine for my new dataset,
Phenix can figure out which is the correct FreeR value?

It's a mix of CCP4 and Phenix question, so I have crossed posted it in the
CCP4bb as well.

Many thanks,
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