I am absolutely sure this has been discussed before, and I have just
re-convinced myself that refmac reports the number of reflections in
just the working set, and not the total number of reflections. So my
question is
Is there a reason why the PDB ADIT tool imports the Nwork from the
refmac pdb file and inserts it as a total? I mean, it does read both
Nwork and Nfree, why not just combine them?
Or perhaps what the ADIT tool says about the parameter (it explicitly
states that it should include *all* reflections) is misleading, and the
REMARK 3 values are software dependent? Did this behavior change
recently (on either side) or I simply never noticed this before?
It also seems that structures refined with phenix get the Ntotal
deposited, not the Nwork.
--
"I'd jump in myself, if I weren't so good at whistling."
Julian, King of Lemurs
