On Tue, Jan 14, 2014 at 9:09 AM, Ryan <rspencer@uci.edu> wrote:

Have you tried using XDSCONV, it will convert the HKL file to an MTZ without
much trouble. Is there are reason you want the unmerged HKL file rather than
using XSCALE for scaling and merging? You can choose to leave the data
unmerged in XSCALE but converting it to an MTZ file will automatically merge
the data.

There is also this (in the latest nightly builds - not yet part of the GUI, but I'll add it today):

iotbx.export_scalepack_unmerged xds_ascii.hkl

The motivation here being that SOLVE (the only program in Phenix that actually uses unmerged data for anything other than reporting statistics) will read unmerged Scalepack files, but not XDS.

-Nat