On Tue, Apr 13, 2010 at 12:07 PM, Ralf W. Grosse-Kunstleve <span dir="ltr"><<a href="mailto:rwgk@cci.lbl.gov">rwgk@cci.lbl.gov</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Nat's reflection file editor in the GUI is meant to give you full<br>
flexibility in composing a new mtz file.<br></blockquote><div><br></div><div>. . . 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.</div>
<div><br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
It is tricky to make everything people want to do work from the<br>
command line. -- Nat was working on command-line support for some<br>
of the reflection file editor functionality, but I'm not quite<br>
sure where that stands.<br></blockquote><div><br></div><div>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):</div><div><br></div><div>
iotbx.reflection_file_editor data.sca dry_run=True</div><div><br></div><div>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.)</div>
<div><br></div><div>-Nat</div></div>