Hi Billy, thanks for the fast reply! I'll try the workaround. Cheers, Dominik Am 30.05.24 um 14:38 schrieb Billy Poon:

Hi Dominik,

Thank you for letting us know. We will fix this in the next point release. It looks like the GUI is not passing those settings to phenix.refine. For a workaround, you can specify the parameters in a file and then add that file as one of your input files. The parameter file is a plain text filw and would look like

data_manager {   fmodel {     xray_data {       high_resolution = 3       low_resolution = 10     }   } }

In your log file, you should see those parameters being set in the "Final processed PHIL parameters:" section.

Thanks!

-- Billy K. Poon Research Scientist, Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley National Laboratory 1 Cyclotron Road, M/S 33R0345 Berkeley, CA 94720 Fax: (510) 486-5909 Web: https://phenix-online.org

On Thu, May 30, 2024 at 3:14 AM Dominik Oberthuer wrote:

Hi,

because of an update to Sonoma, I also had to update to Phenix 1.21.1-5286-000.

When I'm running phenix.refine from the GUI, use an MTZ with resolution e.g. from 1.65 - 51A, use "High resolution" and "Low resolution" to refine against a specific range of data, phenix.refine does not cut off the data beyond the limits set there, but instead takes all of the data.

For sure, I cut the MTZ before, but many times it is about trying out which data to include and not include and this is not really how it should be...

Is this known? Is there any way to solve this issue?

Thanks!

Dominik

-- Dr. Dominik Oberthür

CFEL - Center for Free-Electron Laser Science - DESY Coherent Imaging Division

Notkestrasse 85 22607 Hamburg Germany

phone: +49 (0)40 8998 6394 [email protected]

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-- Dr. Dominik Oberthür CFEL - Center for Free-Electron Laser Science - DESY Coherent Imaging Division Notkestrasse 85 22607 Hamburg Germany phone: +49 (0)40 8998 6394 [email protected]