Daniel Paley
Daniel Paley
Recent commits are hitting test failures for `xfel_psana_centos_7 python3.9` on step "Configure and build" with tracebacks that look like this: Traceback ``` Traceback (most recent call last): File "../modules/cctbx_project/libtbx/configure.py", line...
As discussed on phenixbb: "iotbx.merging_statistics on Python 3: too memory consuming"
The damping term doesn't blow up so rapidly when the refinement is fully converged (i.e. objective stops changing) https://github.com/cctbx/cctbx_project/issues/468 @luc-j-bourhis @nksauter Any objection?
In some circumstances, esd's are all 0 when calculated in smtbx/refinement/least_squares.py after lstbx.levenberg_marquardt_iterations refinement. This should reproduce the issue: ``` from scitbx import lstbx import scitbx.lstbx.normal_eqns_solving from smtbx.regression.test_data import fnames...
Performance improvements in `centroid_px_to_mm` and `map_centroids_to_reciprocal_space`: - Cache the `panel_numbers==i_panel` bool arrays. - Skip panels with no reflections. On an example with 1100 experiments and a 256-panel detector, this gave...
Still testing and cleaning up but would appreciate any comments. Instead of applying a mask before spotfinding, the new method finds all spots and then filters on resolution. This proved...
This cctbx_project PR: https://github.com/cctbx/cctbx_project/pull/797 will remove the `setuptools=60 it's no longer safe to import anything from pip, doing so breaks setuptools as discussed here: https://github.com/pypa/setuptools/issues/3297 and other linked issues. `packaging`...
This is just something I was playing with. There are two things to consider here: - Thoughts on modifying bootstrap default options by intercepting the kwargs passed to the Builder...
As per comment here: https://github.com/cctbx/dxtbx/pull/578#issuecomment-1317371352 For now, just want to give this an issue number.