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 = 'Rutin_3080ug200uL_DMSOd6_qHNMR_400MHz_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
│   ├── ethylbenzene_ei.jdx
│   └── ethylbenzene_hrms.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
│   └── ibuprofen_j_ave_qmagnetics.jdx
├── rutin
│   ├── 13c.jdx
│   ├── cosy.jdx
│   ├── hmbc.jdx
│   ├── hsqc.jdx
│   └── qH.jdx
└── simulated
├── d1-1.2_j7.jdx
├── d1-2-3-4-5-6-7-8.jdx
├── d1-2-3-4-5-6-7-8HR.jdx
├── d1-2-3-4-5-6-7-8_baseline.jdx
├── d1-2-3_j16-10-2.jdx
├── d1-2_j7.jdx
└── d1-7_j7.jdx

12 directories, 30 files
`

NB: the data folder is jcampFiles.root`.