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bem

bem: modeling for neutron Bragg-edge imaging - Published in JOSS (2018)

https://github.com/ornlneutronimaging/braggedgemodeling

Science Score: 95.0%

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 4 DOI reference(s) in README and JOSS metadata
  • ✓
    Academic publication links
    Links to: joss.theoj.org
  • ✓
    Committers with academic emails
    3 of 3 committers (100.0%) from academic institutions
  • ○
    Institutional organization owner
  • ✓
    JOSS paper metadata
    Published in Journal of Open Source Software

Scientific Fields

Mathematics Computer Science - 37% confidence
Last synced: 6 months ago · JSON representation

Repository

Basic Info
  • Host: GitHub
  • Owner: ornlneutronimaging
  • License: mit
  • Language: Jupyter Notebook
  • Default Branch: master
  • Size: 9.67 MB
Statistics
  • Stars: 2
  • Watchers: 2
  • Forks: 1
  • Open Issues: 8
  • Releases: 4
Created about 8 years ago · Last pushed about 4 years ago
Metadata Files
Readme License

README.md

CI Coverage Status DOI

Bragg Edge Modeling

This python package provides tools to model and help analyze neutron Bragg Edge imaging data.

Main functionality: given lattice structure of a material and optionally a texture model and an instrument beam model, calculate neutron Bragg Edge spectrum as a function of neutron wavelength.

Features

  • Calculation of basic Bragg Edge spectrum from crystal structure specification, assuming an isotropic powder sample, and accounting for various contributions to neutron scattering including, for example, diffraction and inelastic scattering (using incoherent approximation)
  • Modeling of texture:
    • March Dollase
  • Modeling of peak profile:
    • Jorgensen model
  • Flexible design to allow future extension to texture and peak profile models
  • Allow easy fitting to measured Bragg Edge data

Documentation

Please refer to https://ornlneutronimaging.github.io/braggedgemodeling for documentation on installation, usage, and API.

Community guidelines

How to contribute

Please clone the repository, make changes and make a pull request.

How to report issues

Please use the github issues to report issues or bug reports.

Support

Please either use the github issues to ask for support, or contact the authors directly using email.

Known problems

  • Debye temperatures are listed in a table, which is missing data for some elements. However, users can provide their own table in a configuration file.

Owner

  • Name: ornlneutronimaging
  • Login: ornlneutronimaging
  • Kind: organization

JOSS Publication

bem: modeling for neutron Bragg-edge imaging
Published
October 23, 2018
DOI
Volume 3, Issue 30, Page 973
Authors
Jiao Y. y. Lin ORCID
Oak Ridge National Laboratory
Gian Song ORCID
Oak Ridge National Laboratory
Editor
Kathryn Huff ORCID
Tags
neutron neutron imaging Bragg-edge
View PDF Review Thread Software Archive

GitHub Events

Total
Last Year

Committers

Last synced: 7 months ago

All Time
  • Total Commits: 182
  • Total Committers: 3
  • Avg Commits per committer: 60.667
  • Development Distribution Score (DDS): 0.082
Past Year
  • Commits: 0
  • Committers: 0
  • Avg Commits per committer: 0.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
Jiao Lin l****o@o****v 167
JeanBilheux b****m@o****v 12
Song, Gian s****g@o****v 3
Committer Domains (Top 20 + Academic)
ornl.gov: 3

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 31
  • Total pull requests: 7
  • Average time to close issues: about 1 month
  • Average time to close pull requests: about 4 hours
  • Total issue authors: 3
  • Total pull request authors: 1
  • Average comments per issue: 0.77
  • Average comments per pull request: 0.71
  • Merged pull requests: 7
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • yxqd (25)
  • mikapfl (4)
  • stuartcampbell (2)
Pull Request Authors
  • yxqd (7)
Top Labels
Issue Labels
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads: unknown
  • Total dependent packages: 0
  • Total dependent repositories: 0
  • Total versions: 4
conda-forge.org: braggedgemodeling

braggedgemodeling is a Python package providing data analysis tools for neutron Bragg Edge spectra. Given material lattice structure, it can compute Bragg Edge transmission spectrum as a function of neutron wavelength.

  • Versions: 4
  • Dependent Packages: 0
  • Dependent Repositories: 0
Rankings
Dependent repos count: 34.0%
Dependent packages count: 51.2%
Average: 51.6%
Stargazers count: 60.1%
Forks count: 61.1%
Last synced: 6 months ago

Dependencies

setup.py pypi
  • diffpy.structure *
  • matplotlib *
  • numpy *
  • pandas *
  • periodictable *
  • pyyaml *
  • scipy *