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dials

Diffraction Integration for Advanced Light Sources

https://github.com/dials/dials

Science Score: 36.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    22 of 55 committers (40.0%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (10.3%) to scientific vocabulary

Keywords

cpp crystallography python

Keywords from Contributors

cctbx cryo-em phenix computational-chemistry protein-structure bioinformatics sequence-alignment dna biopython genomics
Last synced: 6 months ago · JSON representation

Repository

Diffraction Integration for Advanced Light Sources

Basic Info
  • Host: GitHub
  • Owner: dials
  • License: bsd-3-clause
  • Language: Python
  • Default Branch: main
  • Homepage: https://dials.github.io
  • Size: 99.7 MB
Statistics
  • Stars: 93
  • Watchers: 26
  • Forks: 54
  • Open Issues: 202
  • Releases: 80
Topics
cpp crystallography python
Created over 10 years ago · Last pushed 6 months ago
Metadata Files
Readme Changelog Contributing License Authors

README.md

DIALS: Diffraction Integration for Advanced Light Sources

Code style: black Coverage Slack

X-ray crystallography for structural biology has benefited greatly from a number of advances in recent years including high performance pixel array detectors, new beamlines capable of delivering micron and sub-micron focus and new light sources such as XFELs. The DIALS project is a collaborative endeavour to develop new diffraction integration software to meet the data analysis requirements presented by these recent advances. There are three end goals: to develop an extensible framework for the development of algorithms to analyse X-ray diffraction data; the implementation of algorithms within this framework and finally a set of user facing tools using these algorithms to allow integration of data from diffraction experiments on synchrotron and free electron sources.

Website

https://dials.github.io

Reference

Winter, G., Waterman, D. G., Parkhurst, J. M., Brewster, A. S., Gildea, R. J., Gerstel, M., Fuentes-Montero, L., Vollmar, M., Michels-Clark, T., Young, I. D., Sauter, N. K. and Evans, G. (2018) Acta Cryst. D74.

Funding

DIALS development at Diamond Light Source is performed by employees of Diamond Light Source, and STFC via CCP4, supported by funding from Wellcome for grant 218270/Z/19/Z: DIALS: making serial crystallography data analysis accessible for biomedical researchers.

DIALS development at Lawrence Berkeley National Laboratory is supported by National Institutes of Health / National Institute of General Medical Sciences grant R24GM154040 as an NIH NIGMS US National Resource. Work at LBNL is performed under Department of Energy contract DE-AC02-05CH11231.

Owner

  • Name: DIALS
  • Login: dials
  • Kind: organization

Diffraction Integration for Advanced Light Sources

GitHub Events

Total
  • Create event: 108
  • Commit comment event: 3
  • Release event: 5
  • Delete event: 105
  • Member event: 1
  • Pull request event: 240
  • Fork event: 4
  • Issues event: 136
  • Watch event: 22
  • Issue comment event: 517
  • Push event: 442
  • Gollum event: 5
  • Pull request review comment event: 32
  • Pull request review event: 52
Last Year
  • Create event: 108
  • Commit comment event: 3
  • Release event: 5
  • Delete event: 105
  • Member event: 1
  • Pull request event: 240
  • Fork event: 4
  • Issues event: 136
  • Watch event: 22
  • Issue comment event: 517
  • Push event: 442
  • Gollum event: 5
  • Pull request review comment event: 32
  • Pull request review event: 52

Committers

Last synced: 9 months ago

All Time
  • Total Commits: 12,384
  • Total Committers: 55
  • Avg Commits per committer: 225.164
  • Development Distribution Score (DDS): 0.795
Past Year
  • Commits: 183
  • Committers: 19
  • Avg Commits per committer: 9.632
  • Development Distribution Score (DDS): 0.727
Top Committers
Name Email Commits
James Parkhurst j****t@d****k 2,540
David Waterman d****n@s****k 2,309
Richard Gildea r****a@d****k 2,173
Markus Gerstel m****l@d****k 1,194
Graeme Winter g****r@g****m 1,032
James Beilsten-Edmands j****s@g****m 979
Luis Fuentes-Montero l****s 967
Aaron Brewster a****r@l****v 371
Nicholas Devenish n****h@g****m 360
DiamondLightSource-build-server D****r 108
Ben Williams b****s 88
Nicholas Sauter n****r@l****v 36
David McDonagh 6****e 28
idyoung i****g@l****v 26
biochem_fan n****t@g****m 15
Asmit Bhowmick a****3@g****m 13
Daniel Paley d****y@l****v 13
Ian Rees i****n@i****t 12
Nathaniel Echols n****s@g****m 10
Elena Pascal e****l@g****m 9
Johan Hattne j****n@h****e 9
Lee James O'Riordan l****n@g****m 9
Amy Thompson 5****n 8
Derek Mendez d****n@l****v 7
Huw Jenkins h****s 6
pre-commit-ci[bot] 6****] 6
Marcin Wojdyr w****r@g****m 5
Daniel Tchoń d****h@o****u 5
Jenkins d****n@s****k 4
Kevin Dalton k****n 4
and 25 more...
Committer Domains (Top 20 + Academic)
lbl.gov: 12 diamond.ac.uk: 4 posteo.de: 1 college.harvard.edu: 1 fas.harvard.edu: 1 cori04.nersc.gov: 1 cci-vm-8.lbl.gov: 1 nicholas-air.dhcp.lbl.gov: 1 quantifiedcode.com: 1 scisoft-mac-1.diamond.ac.uk: 1 onet.eu: 1 hattne.se: 1 ianrees.net: 1 stfc.ac.uk: 1

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 385
  • Total pull requests: 639
  • Average time to close issues: almost 2 years
  • Average time to close pull requests: about 1 month
  • Total issue authors: 55
  • Total pull request authors: 30
  • Average comments per issue: 3.83
  • Average comments per pull request: 1.73
  • Merged pull requests: 495
  • Bot issues: 0
  • Bot pull requests: 16
Past Year
  • Issues: 95
  • Pull requests: 297
  • Average time to close issues: 16 days
  • Average time to close pull requests: 9 days
  • Issue authors: 18
  • Pull request authors: 20
  • Average comments per issue: 1.72
  • Average comments per pull request: 1.19
  • Merged pull requests: 224
  • Bot issues: 0
  • Bot pull requests: 8
View more stats
Top Authors
Issue Authors
  • dagewa (113)
  • graeme-winter (104)
  • biochem-fan (20)
  • ndevenish (18)
  • rjgildea (16)
  • jbeilstenedmands (9)
  • phyy-nx (9)
  • CV-GPhL (8)
  • PrinceWalnut (7)
  • Anthchirp (7)
  • huwjenkins (6)
  • mysecondnameisdanger (6)
  • murpholinox (4)
  • benjaminhwilliams (4)
  • dermen (3)
Pull Request Authors
  • dagewa (166)
  • jbeilstenedmands (135)
  • ndevenish (68)
  • toastisme (50)
  • graeme-winter (42)
  • DiamondLightSource-build-server (23)
  • phyy-nx (23)
  • rjgildea (18)
  • amyjaynethompson (15)
  • pre-commit-ci[bot] (14)
  • biochem-fan (10)
  • yash4karan (9)
  • kmdalton (8)
  • benjaminhwilliams (8)
  • dwpaley (8)
Top Labels
Issue Labels
stale (107) enhancement (39) bug (30) dials.image_viewer (14) validate (10) documentation (9) dials.export (8) workshop-feedback (5) dials.reciprocal_lattice_viewer (5) request for comments :speech_balloon: (5) dials.import (5) dials.integrate (4) dials.index (4) dials.stills_process (3) wontfix (3) dials.refine (3) dials.scale (3) question (3) performance (2) dials.find_spots (1) help wanted (1) dials.model_background (1) dials_core (1) 3DED (1) optimisation (1) windows (1) small_molecule (1) dials.report (1) counting-is-hard (1) good first issue (1)
Pull Request Labels
upcoming release (23) PR: merge conflicts (20) stale (12) backported (6) dials.image_viewer (5) bug (3) backport (2) dials_core (1) dials.find_spots (1) dials.stills_process (1)

Packages

  • Total packages: 2
  • Total downloads:
    • pypi 44 last-month
  • Total dependent packages: 0
    (may contain duplicates)
  • Total dependent repositories: 2
    (may contain duplicates)
  • Total versions: 6
  • Total maintainers: 1
pypi.org: dials

Diffraction Integration for Advanced Light Sources

  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 1
  • Downloads: 44 Last month
  • Docker Downloads: 0
Rankings
Docker downloads count: 2.1%
Forks count: 6.3%
Stargazers count: 8.6%
Dependent packages count: 10.0%
Average: 16.7%
Dependent repos count: 21.7%
Downloads: 51.4%
Maintainers (1)
ndevenish
Last synced: 6 months ago
conda-forge.org: dials

The DIALS project is a collaborative endeavour to develop new diffraction integration software to meet the data analysis requirements presented by recent advances in high performance pixel array detectors, new beamlines capable of delivering micron and sub-micron focus and new light sources such as XFELs.

  • Versions: 5
  • Dependent Packages: 0
  • Dependent Repositories: 1
Rankings
Dependent repos count: 24.4%
Forks count: 27.8%
Average: 35.6%
Stargazers count: 38.8%
Dependent packages count: 51.6%
Last synced: 6 months ago

Dependencies

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.github/workflows/merge-conflicts.yml actions
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Dockerfile docker
  • centos 7 build
requirements_dev.txt pypi
  • dials-data * development
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  • pytest-randomly * development
pyproject.toml pypi
setup.py pypi