dxtbx

Diffraction Experiment Toolbox

https://github.com/cctbx/dxtbx

Science Score: 57.0%

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
    Found 5 DOI reference(s) in README
  • Academic publication links
  • Committers with academic emails
    16 of 42 committers (38.1%) from academic institutions
  • Institutional organization owner
    Organization cctbx has institutional domain (cci.lbl.gov)
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (9.4%) to scientific vocabulary
Last synced: 6 months ago · JSON representation

Repository

Diffraction Experiment Toolbox

Basic Info
  • Host: GitHub
  • Owner: cctbx
  • License: bsd-3-clause
  • Language: Python
  • Default Branch: main
  • Homepage:
  • Size: 5.28 MB
Statistics
  • Stars: 4
  • Watchers: 28
  • Forks: 23
  • Open Issues: 84
  • Releases: 0
Created almost 7 years ago · Last pushed 6 months ago
Metadata Files
Readme Changelog Contributing License Authors

README.md

Diffraction Experiment Toolbox

Python 3.8 | 3.9 Code style: black Language grade: Python Total alerts Coverage DOI

A cctbx-style toolbox to describe single-crystal diffraction experiments, where a monochromatic beam is used to illuminate a sample which is rotated during the exposure and diffraction recorded on a flat area detector.

This toolbox will include code for:

  • reading image headers
  • transforming contents of image header to standard (i.e. imgCIF) frame
  • python models of experiment
  • reading a sequence into memory using existing cctbx image reading tools in iotbx

Initially implemented to support xia2 development, dxtbx is designed to be extensible, to support other applications and to make it easy to work with other detectors, with a generic approach to reading the data files.

A paper describing how to use dxtbx, as well as documenting its development and some of its applications, was published as J. Appl. Cryst. (2014) 47, 1459-1465.

Owner

  • Name: Computational Crystallography Toolbox
  • Login: cctbx
  • Kind: organization

GitHub Events

Total
  • Create event: 54
  • Issues event: 21
  • Watch event: 1
  • Delete event: 38
  • Member event: 1
  • Issue comment event: 116
  • Push event: 212
  • Pull request review event: 18
  • Pull request review comment event: 20
  • Pull request event: 104
  • Fork event: 7
Last Year
  • Create event: 54
  • Issues event: 21
  • Watch event: 1
  • Delete event: 38
  • Member event: 1
  • Issue comment event: 116
  • Push event: 212
  • Pull request review event: 18
  • Pull request review comment event: 20
  • Pull request event: 104
  • Fork event: 7

Committers

Last synced: over 2 years ago

All Time
  • Total Commits: 2,719
  • Total Committers: 42
  • Avg Commits per committer: 64.738
  • Development Distribution Score (DDS): 0.814
Past Year
  • Commits: 101
  • Committers: 13
  • Avg Commits per committer: 7.769
  • Development Distribution Score (DDS): 0.772
Top Committers
Name Email Commits
James Parkhurst j****t@d****k 506
Graeme Winter g****r@g****m 469
Markus Gerstel m****l@d****k 406
Aaron Brewster a****r@l****v 321
Richard Gildea r****a@d****k 213
Nicholas Devenish n****h@g****m 212
David Waterman d****n@g****m 145
DiamondLightSource-build-server D****r 75
Richard Gildea r****a 74
Nicholas Sauter n****r@l****v 57
David Waterman d****a 49
Asmit Bhowmick a****3@g****m 37
Johan Hattne j****n@h****e 28
Ben Williams b****s 25
James Beilsten-Edmands j****s@g****m 13
Nathaniel Echols n****s@g****m 13
David McDonagh 6****e 9
Derek Mendez d****n@l****v 9
Daniel Paley d****y@l****v 7
Keitaro Yamashita k****m 7
James Holton J****n@l****v 5
Daniel Paley d****y@g****m 5
Billy K. Poon b****n@l****v 4
Robert Oeffner r****0@c****k 3
Robert Oeffner r****t@o****t 3
James Beilsten-Edmands 3****s 3
Takanori Nakane n****t@g****m 3
Jenkins d****n@s****k 3
Elena Pascal e****l@g****m 2
Viktor Bengtsson v****n@m****e 1
and 12 more...
Committer Domains (Top 20 + Academic)

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 98
  • Total pull requests: 224
  • Average time to close issues: almost 2 years
  • Average time to close pull requests: 2 months
  • Total issue authors: 15
  • Total pull request authors: 19
  • Average comments per issue: 3.87
  • Average comments per pull request: 2.18
  • Merged pull requests: 183
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 14
  • Pull requests: 61
  • Average time to close issues: 28 days
  • Average time to close pull requests: 9 days
  • Issue authors: 8
  • Pull request authors: 12
  • Average comments per issue: 1.86
  • Average comments per pull request: 0.87
  • Merged pull requests: 44
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
  • graeme-winter (29)
  • dagewa (25)
  • phyy-nx (10)
  • picca (7)
  • ndevenish (5)
  • rjgildea (4)
  • biochem-fan (4)
  • jbeilstenedmands (3)
  • jamesrhester (2)
  • spmeisburger (2)
  • argusSecurityBot (1)
  • takluyver (1)
  • trincao (1)
  • luc-j-bourhis (1)
  • Anthchirp (1)
Pull Request Authors
  • dagewa (76)
  • ndevenish (57)
  • toastisme (56)
  • graeme-winter (30)
  • phyy-nx (21)
  • rjgildea (18)
  • dwpaley (12)
  • jbeilstenedmands (12)
  • dermen (6)
  • biochem-fan (4)
  • benjaminhwilliams (4)
  • jamesrhester (3)
  • dwmoreau (3)
  • spmeisburger (2)
  • mpks (1)
Top Labels
Issue Labels
request for comments (4) enhancement (2) performance (1) windows support (1) bug (1)
Pull Request Labels
PR: merge conflicts (13) backported (4) backport (3) windows support (2) bug (2) upcoming-release (1)

Packages

  • Total packages: 2
  • Total downloads:
    • pypi 164 last-month
  • Total dependent packages: 1
    (may contain duplicates)
  • Total dependent repositories: 1
    (may contain duplicates)
  • Total versions: 11
  • Total maintainers: 1
pypi.org: dxtbx

Diffraction Experiment Toolbox

  • Versions: 2
  • Dependent Packages: 0
  • Dependent Repositories: 1
  • Downloads: 164 Last month
  • Docker Downloads: 0
Rankings
Docker downloads count: 2.0%
Dependent packages count: 10.1%
Forks count: 10.5%
Average: 18.6%
Dependent repos count: 21.6%
Stargazers count: 27.9%
Downloads: 39.5%
Maintainers (1)
Last synced: 6 months ago
conda-forge.org: dxtbx

A cctbx-style toolbox to describe single-crystal diffraction experiments, where a monochromatic beam is used to illuminate a sample which is rotated during the exposure and diffraction recorded on a flat area detector.

  • Versions: 9
  • Dependent Packages: 1
  • Dependent Repositories: 0
Rankings
Dependent packages count: 28.8%
Dependent repos count: 34.0%
Average: 41.6%
Forks count: 43.4%
Stargazers count: 60.1%
Last synced: 6 months ago