[phenixbb] XDS data

Nathaniel Echols nechols at lbl.gov
Tue Jan 14 09:25:57 PST 2014

On Tue, Jan 14, 2014 at 9:09 AM, Ryan <rspencer at 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.

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