On Tue, Apr 13, 2010 at 12:07 PM, Ralf W. Grosse-Kunstleve wrote: Nat's reflection file editor in the GUI is meant to give you full
flexibility in composing a new mtz file. . . . however, the current version of the GUI can't make multiple copies of
a single data array, unless you fool it by making a copy of the input file
and add that. There is no reason why it can't be modified to allow this - I
just need to figure out how to keep the interface simple.
It is tricky to make everything people want to do work from the command line. -- Nat was working on command-line support for some
of the reflection file editor functionality, but I'm not quite
sure where that stands. Functional, but not fully tested. I'm pretty sure it will do what you need
here (as long as you don't mind output in MTZ format):
iotbx.reflection_file_editor data.sca dry_run=True
This will print out (among other info) the resulting parameter set, which
you can paste into a file and edit to do exactly what you want.
(Specifically, duplicate the block of parameters for the intensity array,
and choose "amplitudes" for "output_as" in the second copy.)
-Nat