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Open Source Science

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

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

Science Score: 26.0%

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
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (9.5%) to scientific vocabulary

Keywords from Contributors

nmr nmr-spectroscopy chemistry mzdata jcamp data-format unidata chromatography gcms kovats
Last synced: 10 months ago · JSON representation

Repository

Basic Info
Statistics
  • Stars: 3
  • Watchers: 4
  • Forks: 2
  • Open Issues: 5
  • Releases: 63
Created about 6 years ago · Last pushed 11 months ago
Metadata Files
Readme Changelog License

README.md

common-spectrum

NPM version build status Test coverage npm download

Common package to deal with spectral analysis.

An Analysis may be composed of many MeasurementXY of different flavours.

By default, the flavour is an empty string, and if your analysis only generates one spectrum, you may forget this level of complexity.

In the case of Thermogravitational Analysis (TGA), we may have two flavours for the data:

  • Weight versus Temperature
  • Weight versus Time

This package allows loading and saving an Analysis as a JCAMP-DX text file.

Installation

console npm install common-spectrum

Usage

```js import { Analysis, fromJcamp, toJcamp, getJSGraph } from '..';

let analysis = new Analysis(); expect(analysis.id).toHaveLength(8);

analysis.pushSpectrum( { x: [1, 2], y: [3, 4] }, { xUnits: 'xUnits', yUnits: 'yUnits', xLabel: 'X axis', yLabel: 'Y axis', title: 'My spectrum', dataType: 'TGA', meta: { meta1: 'Meta 1', meta2: 'Meta 2', }, }, );

let firstSpectrum = analysis.getSpectrum();

let normalized = analysis.getNormalizedData({ normalization: { filters: [{ name: 'normalize' }], }, });

let jsgraph = getJSGraph([analysis]);

let jcamp = toJcamp(analysis, { info: { owner: 'cheminfo', origin: 'Common MeasurementXY', }, });

let analysis2 = fromJcamp(jcamp); ```

API Documentation

License

MIT

Owner

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

GitHub Events

Total
  • Release event: 2
  • Delete event: 4
  • Issue comment event: 1
  • Push event: 10
  • Pull request event: 4
  • Create event: 5
Last Year
  • Release event: 2
  • Delete event: 4
  • Issue comment event: 1
  • Push event: 10
  • Pull request event: 4
  • Create event: 5

Committers

Last synced: about 1 year ago

All Time
  • Total Commits: 317
  • Total Committers: 6
  • Avg Commits per committer: 52.833
  • Development Distribution Score (DDS): 0.331
Past Year
  • Commits: 18
  • Committers: 2
  • Avg Commits per committer: 9.0
  • Development Distribution Score (DDS): 0.278
Top Committers
Name Email Commits
Luc Patiny l****c@p****m 212
cheminfo-bot 1****t 60
Miguel Angel Asencio Hurtado m****h@g****m 35
Kevin Jablonka 3****m 5
Luc Patiny l****y@L****l 3
Michaël Zasso t****s@p****m 2
Committer Domains (Top 20 + Academic)
patiny.com: 1

Issues and Pull Requests

Last synced: 11 months ago

All Time
  • Total issues: 11
  • Total pull requests: 88
  • Average time to close issues: 12 days
  • Average time to close pull requests: 3 days
  • Total issue authors: 3
  • Total pull request authors: 5
  • Average comments per issue: 1.55
  • Average comments per pull request: 1.51
  • Merged pull requests: 85
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 5
  • Average time to close issues: N/A
  • Average time to close pull requests: 32 minutes
  • Issue authors: 0
  • Pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 1.0
  • Merged pull requests: 5
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • kjappelbaum (5)
  • maasencioh (3)
  • lpatiny (3)
Pull Request Authors
  • cheminfo-bot (73)
  • maasencioh (15)
  • kjappelbaum (6)
  • lpatiny (4)
  • targos (1)
Top Labels
Issue Labels
enhancement (2) question (1)
Pull Request Labels
autorelease: tagged (59) autorelease: pending (13)

Packages

  • Total packages: 1
  • Total downloads:
    • npm 1,326 last-month
  • Total dependent packages: 18
  • Total dependent repositories: 13
  • Total versions: 76
  • Total maintainers: 4
npmjs.org: common-spectrum

Common package to deal with spectra

  • Versions: 76
  • Dependent Packages: 18
  • Dependent Repositories: 13
  • Downloads: 1,326 Last month
Rankings
Dependent packages count: 1.3%
Dependent repos count: 3.3%
Average: 7.1%
Downloads: 8.0%
Forks count: 9.9%
Stargazers count: 13.2%
Maintainers (4)
cheminfo-bot targos lpatiny stropitek
Last synced: 11 months ago

Dependencies

package.json npm
  • @types/d3-scale ^4.0.2 development
  • @types/jest ^28.1.2 development
  • @types/js-quantities ^1.6.3 development
  • cheminfo-build ^1.1.11 development
  • eslint ^8.18.0 development
  • eslint-config-cheminfo-typescript ^11.0.1 development
  • jest ^28.1.1 development
  • jest-matcher-deep-close-to ^3.0.2 development
  • prettier ^2.7.1 development
  • rimraf ^3.0.2 development
  • ts-jest ^28.0.5 development
  • typescript ^4.7.4 development
  • @types/react ^18.0.14
  • baselines ^1.1.1
  • cheminfo-types ^1.1.0
  • convert-to-jcamp ^5.2.0
  • is-any-array ^2.0.0
  • jcampconverter ^9.0.1
  • js-quantities ^1.7.6
  • ml-array-normed ^1.3.7
  • ml-array-rescale ^1.3.7
  • ml-array-xy-equally-spaced ^1.2.1
  • ml-array-xy-filter-x ^1.0.2
  • ml-gsd ^11.2.1
  • ml-peak-shape-generator ^4.1.1
  • ml-savitzky-golay ^5.0.0
  • ml-signal-processing ^0.5.2
  • ml-spectra-fitting ^4.0.2
  • ml-spectra-processing ^11.7.0
  • react-plot 0.10.1
  • xy-parser ^5.0.2
.github/workflows/nodejs.yml actions
.github/workflows/release.yml actions
.github/workflows/typedoc.yml actions
  • JamesIves/github-pages-deploy-action releases/v3 composite
  • actions/checkout v2 composite
  • actions/setup-node v2 composite
  • zakodium/typedoc-action v2 composite