Re: [phenixbb] how to extend R-free set

On Wed, May 19, 2010 at 9:13 AM, Pavel Afonine wrote:

you can use "Reflection file editor" for this. It is available from PHENIX GUI. I'm not sure if the corresponding command line option exists, Nat knows this better.

In a hurry right now, but to summarize: iotbx.reflection_file_editor will do this on the command line, but it's intended as a tool for automation and testing, and is currently undocumented. Something like this should do it: iotbx.reflection_file_editor data.mtz r_free_flags.extend=True but I'd really recommend trying the GUI first. FYI, it assumes that R-free flags were initially generated randomly, not by thin resolution shells (i.e. using DATAMAN or SFTOOLS). -Nat