{"id":22009468,"url":"https://github.com/cheminfo/chromatography","last_synced_at":"2025-05-06T17:51:15.510Z","repository":{"id":43294788,"uuid":"53925966","full_name":"cheminfo/chromatography","owner":"cheminfo","description":"Tools for storing, search and analyze GC/MS spectra","archived":false,"fork":false,"pushed_at":"2024-12-19T16:47:52.000Z","size":27008,"stargazers_count":10,"open_issues_count":7,"forks_count":7,"subscribers_count":11,"default_branch":"main","last_synced_at":"2025-04-14T17:39:50.706Z","etag":null,"topics":["chromatography","gcms","jcamp","kovats","kovats-scale","netcdf"],"latest_commit_sha":null,"homepage":"https://cheminfo.github.io/chromatography","language":"JavaScript","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/cheminfo.png","metadata":{"files":{"readme":"README.md","changelog":"CHANGELOG.md","contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2016-03-15T08:07:28.000Z","updated_at":"2024-12-19T16:47:38.000Z","dependencies_parsed_at":"2024-08-28T14:56:30.613Z","dependency_job_id":"c50c3fc8-3cb1-4bd0-8824-366d2291e540","html_url":"https://github.com/cheminfo/chromatography","commit_stats":{"total_commits":395,"total_committers":10,"mean_commits":39.5,"dds":0.5822784810126582,"last_synced_commit":"d29b7cd2ce5a6f3764fac1fd57cc9c6241fd97a4"},"previous_names":[],"tags_count":58,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/cheminfo%2Fchromatography","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/cheminfo%2Fchromatography/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/cheminfo%2Fchromatography/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/cheminfo%2Fchromatography/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/cheminfo","download_url":"https://codeload.github.com/cheminfo/chromatography/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":252739778,"owners_count":21796981,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["chromatography","gcms","jcamp","kovats","kovats-scale","netcdf"],"created_at":"2024-11-30T02:09:29.447Z","updated_at":"2025-05-06T17:51:15.488Z","avatar_url":"https://github.com/cheminfo.png","language":"JavaScript","funding_links":[],"categories":[],"sub_categories":[],"readme":"# chromatography\n\n[![NPM version][npm-image]][npm-url]\n[![build status][ci-image]][ci-url]\n[![npm download][download-image]][download-url]\n\nTools for storing, searching and analyzing GC/MS data.\n\n## Installation\n\n`$ npm i chromatography`\n\n## Usage\n\n```js\nimport * as GCMS from 'chromatography';\n\nlet gcms = GCMS.fromJcamp(jcampReferenceMixture);\n\nlet kovatsConversionTable = GCMS.appendKovats(gcms); // [{time, value}]\nlet conversionFunction = GCMS.getKovatsConversionFunction(\n  kovatsConversionTable,\n  {},\n);\n\nlet diesel = GCMS.fromJcamp(jcampOfDiesel);\nlet times = GCMS.rescaleTime(diesel.getTimes(), conversionFunction);\ndiesel.setTimes(times);\n\nlet peaks = GCMS.getPeaks(diesel, options);\nlet dieselJSON = diesel.toJSON(options); // [{time:12, height:12, width: 3, mass: [{mass, intensity}]}]\nlet gcms2 = GCMS.fromJSON(anotherDieselJSON);\nlet similarity = GCMS.similarity(gcms, gcms2, options);\n\n// Get a spectrum in another reference model\nlet revertConversionFunction = GCMS.getKovatsConversionFunction(\n  kovatsConversionTable,\n  { revert: true },\n);\nlet mySpectrumInAnotherReference = revertConversionFunction(mySpectrum);\n```\n\n## [API Documentation](https://cheminfo.github.io/chromatography/)\n\n[API discussion](https://docs.google.com/document/d/1Jg2l6wKjFCYBSqdVWBSujSkqMhsEV6ZMyxeI9RSLhn0/edit#heading=h.8gjgl6jygt0s)\n\n## License\n\n[MIT](./LICENSE)\n\n[npm-image]: https://img.shields.io/npm/v/chromatography.svg\n[npm-url]: https://npmjs.org/package/chromatography\n[ci-image]: https://github.com/cheminfo/chromatography/workflows/Node.js%20CI/badge.svg?branch=main\n[ci-url]: https://github.com/cheminfo/chromatography/actions?query=workflow%3A%22Node.js+CI%22\n[download-image]: https://img.shields.io/npm/dm/chromatography.svg\n[download-url]: https://npmjs.org/package/chromatography\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fcheminfo%2Fchromatography","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fcheminfo%2Fchromatography","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fcheminfo%2Fchromatography/lists"}