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Hi Jon,

a partial answer:



> 2) Under Refinement, Refinement Statistics section: Number unique
> reflections (all)
>
> I looked in my log files for HKL2000, PHASER, and PHENIX but am confused on
> where to find the required values above.  I tried searching the logs for the
> mmCIF items but that didn't help.  Could someone point me the right
> direction so I can deposit my structure with the correct values?


a PDB file header with phenix.refine refined structure contains this number
under REMARK 3 records. Can't ADIT extract this information automatically?
Look in your PDB file for something like that:

REMARK   3   NUMBER OF REFLECTIONS             : 15114

Although, it's derivable information, meaning that if you deposit the data
used for refinement then you should be safe.

Pavel.