xia2 screen19 issues - Githubissues

xia2 / screen19

Screening program for small-molecule single-crystal X-ray diffraction data

https://pypi.org/project/screen19/

BSD 3-Clause "New" or "Revised" License

2 stars 3 forks source link

issues

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[pre-commit.ci] pre-commit autoupdate

#62 pre-commit-ci[bot] opened 1 week ago
0
New screen19 pipeline

#61 noemifrisina opened 1 year ago
0
Add CodeQL workflow for GitHub code scanning

#60 lgtm-com[bot] opened 1 year ago
0
Automatically update and run pre-commit hooks

#59 github-actions[bot] opened 1 year ago
0
Fix broken help messages

#58 benjaminhwilliams closed 1 year ago
0
Use matplotlib in place of gnuplot for plotting

#57 graeme-winter closed 2 years ago
6
Retire pre-commit auto-update action with Renovate

#56 benjaminhwilliams opened 3 years ago
0
Repoint pre-commit to new repo location

#55 ndevenish closed 3 years ago
1
Abstract over ExperimentListTemplateImporter

#54 ndevenish closed 3 years ago
0
Refine: Only use centroids with non-zero variance

#53 benjaminhwilliams closed 3 years ago
0
Drop support for DIALS 2.2 and Python 2

#52 benjaminhwilliams closed 3 years ago
3
Retire deprecated ExperimentListTemplateImporter

#51 benjaminhwilliams closed 3 years ago
1
Adapt to procrunner deprecations

#50 benjaminhwilliams closed 3 years ago
0
Silence excessive log output from DIALS spot finding and integration

#49 benjaminhwilliams closed 3 years ago
0
Automatically update and run pre-commit hooks

#48 github-actions[bot] closed 1 year ago
0
"Cannot set statistical weights" error running test test_screen19

#47 ndevenish closed 3 years ago
1
Automatically update and run pre-commit hooks

#46 github-actions[bot] closed 3 years ago
0
Automatically update and run pre-commit hooks

#45 github-actions[bot] closed 3 years ago
0
Automatically update and run pre-commit hooks

#44 github-actions[bot] closed 3 years ago
0
Automatically update and run pre-commit hooks

#43 github-actions[bot] closed 3 years ago
0
Allow input image files to be numbered '0'

#42 benjaminhwilliams opened 3 years ago
2
Automatically update and run pre-commit hooks

#41 github-actions[bot] closed 3 years ago
0
Automatically update and run pre-commit hooks

#40 github-actions[bot] closed 3 years ago
0
Automatically update and run pre-commit hooks

#39 github-actions[bot] closed 3 years ago
0
Compatibility fixes for procrunner 2.1.0

#38 Anthchirp closed 3 years ago
0
Automatically update and run pre-commit hooks

#37 github-actions[bot] closed 4 years ago
0
Create a workflow to automatically update pre-commit hooks

#36 benjaminhwilliams closed 4 years ago
1
Automatically update pre-commit hooks

#35 benjaminhwilliams closed 4 years ago
0
Automate pre-commit hook updates

#34 benjaminhwilliams closed 4 years ago
4
Update import sorting behaviour

#33 benjaminhwilliams closed 4 years ago
2
Setup azure testing against supported DIALS release versions

#32 rjgildea opened 4 years ago
0
Update calls to dials integration code following refactor

#31 jbeilstenedmands closed 4 years ago
5
CCTBX French-Wilson scaling spews output to stdout

#30 benjaminhwilliams closed 4 years ago
0
Fix screen19 for few images

#29 benjaminhwilliams closed 4 years ago
4
Get Travis to do regression testing

#28 benjaminhwilliams closed 2 years ago
6
Remove stability_fft.py and related test and utils

#27 benjaminhwilliams closed 4 years ago
1
Extra significant digit for resolution in recommendations table

#26 isikhar closed 4 years ago
0
Retire DIALS 1.14 support

#25 benjaminhwilliams closed 4 years ago
5
Make screen19 fail early in difficult integration cases

#24 benjaminhwilliams opened 4 years ago
0
Remove support for dials 1.x series

#23 graeme-winter closed 4 years ago
5
Add histogram of spot intensities

#22 benjaminhwilliams opened 4 years ago
0
Accommodate dials.refine_bravais_settings refactor

#21 benjaminhwilliams closed 4 years ago
3
Upgrade Travis configuration

#20 Anthchirp closed 4 years ago
0
Changes for compatibility with DIALS v1 & v2

#19 benjaminhwilliams closed 4 years ago
1
Gnuplot dumb terminal swallows its own ylabel

#18 benjaminhwilliams closed 4 years ago
0
Produce strategies from screening, based on crystal symmetry

#17 benjaminhwilliams opened 4 years ago
0
screen19 to output table of I/σ values

#16 benjaminhwilliams opened 5 years ago
0
Add a tool to recommend maximum suitable sample size in the case of highly absorbing materials

#15 benjaminhwilliams opened 5 years ago
0
Adopt new DIALS filename conventions

#14 benjaminhwilliams closed 4 years ago
1
Don't die on upstream Sorry()

#13 Anthchirp closed 5 years ago
0