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and convert JCAMP-DX data","maintainers":[{"name":"targos","email":"npm@secmail.targos.dev"},{"name":"lpatiny","email":"luc@patiny.com"},{"name":"cheminfo-bot","email":"bot+npm-cheminfo@zakodium.com"},{"name":"stropitek","email":"kostro.d@gmail.com"}],"readme":"<h3 align=\"center\">\n  <a href=\"https://www.zakodium.com\">\n    <img src=\"https://www.zakodium.com/brand/zakodium-logo-white.svg\" width=\"50\" alt=\"Zakodium logo\" />\n  </a>\n  <p>\n    Maintained by <a href=\"https://www.zakodium.com\">Zakodium</a>\n  </p>\n</h3>\n\nNB: migrated from https://github.com/cheminfo/jcampconverter/commit/be9f772a7b852a1ca0cd7f00efce278f6413b67e\n\n# JCAMP-DX converter\n\n[![NPM version][npm-image]][npm-url]\n[![npm download][download-image]][download-url]\n[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5091526.svg)](https://doi.org/10.5281/zenodo.5091526)\n\nParse and convert JCAMP-DX data.\n\n## Installation\n\n```shell\nnpm install jcampconverter\n```\n\n## Methods\n\n### `convert(jcamp, [options])`\n\nConverts the `jcamp` using `options`.  \nReturns an object with information about the converted file and uncompressed spectra data.\n\n**Arguments**\n\n- `jcamp` - String or ArrayBuffer containing the JCAMP-DX data\n- `options` - Object with options to pass to the converter\n\n**Options**\n\n- keepRecordsRegExp - regexp to select which records should be placed in the info field. By default: :/^\\$/} (nothing is kept)\n- withoutXY - do not parse XYDATA or PEAKTABLE fields. Useful to only extract metadata fields (combine this option with `keepRecordsRegExp`)\n- chromatogram - use the new GC/MS data format output (default: false)\n- canonicDataLabels - canonize data labels (uppercase) (default: true).\n- canonicMetadataLabels - canonize data labels (uppercase) (default: false).\n- dynamicTyping - When parsing field convert to number if a number (default: true)\n\n2D NMR options:\n\n- noContour - if true, the contour levels will not be generated. Instead the raw data will be available in `result.minMax.z` (default: false)\n- nbContourLevels - number of contour levels to use in each positive and negative sides (default: 7)\n- noiseMultiplier - default: 5\n- keepSpectra - Generate array for 2D NMR spectra (default: false)\n\n### Use as a module\n\n#### Node.js\n\n```javascript\nvar converter = require('jcampconverter');\nvar jcamp = require('fs').readFileSync('path/to/jcamp.dx', 'utf8');\n\nvar result = converter.convert(jcamp);\n\n// if there is only one spectrum it will be in\nconsole.log(result.flatten[0]);\n\n// the converter will also keep the full jcamp tree\n```\n\n## Testing and build\n\n```console\nnpm install\nnpm test\nnpm run build\n```\n\n## Benchmark\n\n```console\nnpm run benchmark\n```\n\n## License\n\n© 2025 Zakodium Sàrl. This work is licensed under the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License. [CC BY-NC-SA 4.0](./LICENSE)\n\nThis package is based on MIT-licensed code that can be found here: https://doi.org/10.5281/zenodo.5091526\n\n[npm-image]: https://img.shields.io/npm/v/jcampconverter.svg\n[npm-url]: https://npmjs.org/package/jcampconverter\n[download-image]: https://img.shields.io/npm/dm/jcampconverter.svg\n[download-url]: https://npmjs.org/package/jcampconverter\n","readmeFilename":"README.md"}