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
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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