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ir-spectrum

Deal with IR spectra

https://github.com/cheminfo/ir-spectrum

Science Score: 67.0%

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

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ✓
    DOI references
    Found 3 DOI reference(s) in README
  • ✓
    Academic publication links
    Links to: zenodo.org
  • ○
    Committers with academic emails
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (7.5%) to scientific vocabulary

Keywords

hacktoberfest
Last synced: 6 months ago · JSON representation ·

Repository

Deal with IR spectra

Basic Info
  • Host: GitHub
  • Owner: cheminfo
  • License: mit
  • Language: JavaScript
  • Default Branch: main
  • Homepage:
  • Size: 1.21 MB
Statistics
  • Stars: 0
  • Watchers: 3
  • Forks: 1
  • Open Issues: 2
  • Releases: 11
Topics
hacktoberfest
Created almost 5 years ago · Last pushed 7 months ago
Metadata Files
Readme Changelog License Citation

README.md

ir-spectrum

NPM version Test coverage npm download DOI

Installation

$ npm install --save ir-spectrum

Usage

```js import IRSpectrum from 'ir-spectrum';

let analysis = IRSpectrum.fromJcamp(jcamp); ```

When loading an IRSpectrum from Jcamp we will systamatically add 2 new variables:

  • a: containing the absorbance
  • t: containing the percent transmittance

In order to calculate those 2 variables we will check the Y label. If it contains transmittance we calculate absorbance, if it contains absorbance we calculate transmittance. For transmittance we also check for the presence of a '%' sign.:w

API Documentation

License

MIT

Owner

  • Name: Cheminfo
  • Login: cheminfo
  • Kind: organization

Citation (CITATION.cff) 

cff-version: 1.2.0
message: 'If you use this software, please cite it as below.'
title: 'Library dealing with infrared spectra'
abstract: ''
repository-artifact: http://cheminfo.github.io/ir-spectrum/
repository-code: https://github.com/cheminfo/ir-spectrum
authors:
  - family-names: 'Patiny'
    given-names: 'Luc'
    orcid: 'https://orcid.org/0000-0002-4943-2643'
  - family-names: 'Zasso'
    given-names: 'Michaël'
    affiliation: 'Zakodium Sàrl, Switzerland'
    orcid: 'https://orcid.org/0000-0001-5295-2159'
license: MIT
keywords:
  - Infrared spectra
  - IR
  - JCAMP-DX
  - FAIR data
doi: 10.5281/zenodo.5482831

GitHub Events

Total
  • Release event: 1
  • Issue comment event: 3
  • Push event: 15
  • Pull request event: 5
  • Create event: 1
Last Year
  • Release event: 1
  • Issue comment event: 3
  • Push event: 15
  • Pull request event: 5
  • Create event: 1

Committers

Last synced: 8 months ago

All Time
  • Total Commits: 46
  • Total Committers: 3
  • Avg Commits per committer: 15.333
  • Development Distribution Score (DDS): 0.217
Past Year
  • Commits: 3
  • Committers: 2
  • Avg Commits per committer: 1.5
  • Development Distribution Score (DDS): 0.333
Top Committers
Name Email Commits
Luc Patiny l****c@p****m 36
cheminfo-bot 1****t 9
Kevin Jablonka 3****m 1
Committer Domains (Top 20 + Academic)
patiny.com: 1

Issues and Pull Requests

Last synced: 7 months ago

All Time
  • Total issues: 1
  • Total pull requests: 11
  • Average time to close issues: N/A
  • Average time to close pull requests: about 1 month
  • Total issue authors: 1
  • Total pull request authors: 2
  • Average comments per issue: 1.0
  • Average comments per pull request: 0.91
  • Merged pull requests: 10
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 1
  • Average time to close issues: N/A
  • Average time to close pull requests: 5 minutes
  • Issue authors: 0
  • Pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 1.0
  • Merged pull requests: 1
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • lpatiny (1)
Pull Request Authors
  • cheminfo-bot (13)
  • kjappelbaum (1)
Top Labels
Issue Labels
Pull Request Labels
autorelease: tagged (9) autorelease: pending (4)

Packages

  • Total packages: 1
  • Total downloads:
    • npm 183 last-month
  • Total dependent packages: 1
  • Total dependent repositories: 1
  • Total versions: 9
  • Total maintainers: 3
npmjs.org: ir-spectrum

Package used to handle IR spectra in SciPeaks.

  • Versions: 9
  • Dependent Packages: 1
  • Dependent Repositories: 1
  • Downloads: 183 Last month
Rankings
Dependent repos count: 10.4%
Forks count: 11.6%
Average: 19.5%
Stargazers count: 21.0%
Dependent packages count: 21.1%
Downloads: 33.4%
Maintainers (3)
cheminfo-bot lpatiny stropitek
Last synced: 7 months ago

Dependencies

package.json npm
  • @babel/plugin-transform-modules-commonjs ^7.17.9 development
  • @types/jest ^27.5.0 development
  • cheminfo-build ^1.1.11 development
  • codecov ^3.8.3 development
  • eslint ^8.14.0 development
  • eslint-config-cheminfo ^7.3.0 development
  • eslint-plugin-import ^2.26.0 development
  • eslint-plugin-jest ^26.1.5 development
  • eslint-plugin-prettier ^4.0.0 development
  • esm ^3.2.25 development
  • jest ^28.0.3 development
  • jest-matcher-deep-close-to ^3.0.2 development
  • prettier ^2.6.2 development
  • rollup ^2.72.0 development
  • common-spectrum 1.0.2
  • ml-gsd ^11.2.0
  • spc-parser ^0.5.2
.github/workflows/documentationjs.yml actions
  • JamesIves/github-pages-deploy-action releases/v3 composite
  • actions/checkout v2 composite
  • zakodium/documentationjs-action v1 composite
.github/workflows/lactame.yml actions
  • actions/checkout v2 composite
  • actions/setup-node v2-beta composite
  • zakodium/lactame-action v1 composite
.github/workflows/nodejs.yml actions
.github/workflows/release.yml actions