https://github.com/cheminfo/jcamp-data-test

https://github.com/cheminfo/jcamp-data-test

Science Score: 39.0%

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  • DOI references
    Found 1 DOI reference(s) in README
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  • Scientific vocabulary similarity
    Low similarity (3.6%) to scientific vocabulary
Last synced: 9 months ago · JSON representation

Repository

Basic Info
  • Host: GitHub
  • Owner: cheminfo
  • License: mit
  • Language: TypeScript
  • Default Branch: main
  • Homepage:
  • Size: 40.5 MB
Statistics
  • Stars: 0
  • Watchers: 6
  • Forks: 1
  • Open Issues: 0
  • Releases: 18
Created about 6 years ago · Last pushed 10 months ago
Metadata Files
Readme Changelog License

README.md

jcamp-data-test

Provides JCAMP-DX NMR data files for testing purposes.

usage

jcampFiles is a JCampDataTestApi instance, it extends DataTestApi to add methods specific to JCAMP-DX files:

  • findParsedData(name, convertFn)
  • getParsedData(relativePath, convertFn)
  • findXYData(name, convertFn)
  • getXYData(relativePath, convertFn)

```js import { jcampFiles } from 'jcamp-data-test';

const filename = 'Rutin3080ug200uLDMSOd6qHNMR400MHz_JDX.jdx';

const file = await jcampFiles.findFile(filename); const jcampBuffer = await file.buffer(); //or const buffer = await jcampFiles.findData(filename); ```

acknowledgements

The original data were found here thanks to Jonathan and Guido.

```console % tree data data ├── ir │   └── ethylbenzene.jdx ├── mass │   ├── ethylbenzeneei.jdx │   └── ethylbenzenehrms.jdx └── nmr ├── aspirin │   ├── 1h.dx │   └── 1h.fid.dx ├── indometacin │   ├── 1h.dx │   ├── cosy.dx │   ├── hmbc.dx │   ├── hsqc.dx │   └── structure.mol ├── nanalysis │   ├── 1h.jdx │   └── pseudoT1.jdx ├── naphtoicAcid │   ├── 1h.dx │   └── 1h.fid.dx ├── oxfordInstruments │   ├── 1h.jdx │   ├── cosy.jdx │   └── hsqc-me.jdx ├── qmagnetics │   └── ibuprofenjaveqmagnetics.jdx ├── rutin │   ├── 13c.jdx │   ├── cosy.jdx │   ├── hmbc.jdx │   ├── hsqc.jdx │   └── qH.jdx └── simulated ├── d1-1.2j7.jdx ├── d1-2-3-4-5-6-7-8.jdx ├── d1-2-3-4-5-6-7-8HR.jdx ├── d1-2-3-4-5-6-7-8baseline.jdx ├── d1-2-3j16-10-2.jdx ├── d1-2j7.jdx └── d1-7j7.jdx

12 directories, 30 files ```

NB: the data folder is jcampFiles.root.

Owner

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

GitHub Events

Total
  • Create event: 9
  • Issues event: 1
  • Release event: 5
  • Watch event: 1
  • Delete event: 10
  • Issue comment event: 6
  • Push event: 18
  • Pull request review event: 1
  • Pull request event: 13
Last Year
  • Create event: 9
  • Issues event: 1
  • Release event: 5
  • Watch event: 1
  • Delete event: 10
  • Issue comment event: 6
  • Push event: 18
  • Pull request review event: 1
  • Pull request event: 13

Issues and Pull Requests

Last synced: 10 months ago

All Time
  • Total issues: 3
  • Total pull requests: 25
  • Average time to close issues: 4 days
  • Average time to close pull requests: 2 days
  • Total issue authors: 1
  • Total pull request authors: 4
  • Average comments per issue: 0.0
  • Average comments per pull request: 1.52
  • Merged pull requests: 24
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 8
  • Average time to close issues: N/A
  • Average time to close pull requests: 13 minutes
  • Issue authors: 0
  • Pull request authors: 4
  • Average comments per issue: 0
  • Average comments per pull request: 1.0
  • Merged pull requests: 7
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
  • jobo322 (3)
Pull Request Authors
  • cheminfo-bot (23)
  • jobo322 (10)
  • targos (1)
  • tpoisseau (1)
Top Labels
Issue Labels
Pull Request Labels
autorelease: tagged (14) autorelease: pending (9)

Dependencies

package.json npm
  • @babel/plugin-transform-modules-commonjs ^7.18.6 development
  • eslint ^8.20.0 development
  • eslint-config-cheminfo ^8.0.2 development
  • jest ^28.1.3 development
  • prettier ^2.7.1 development
  • rollup ^2.77.0 development
  • filelist-utils ^0.5.0
.github/workflows/npm-prerelease.yml actions
.github/workflows/release.yml actions
.github/workflows/nodejs-ts.yml actions