{"id":23210182,"url":"https://github.com/ethanbass/chromatographr","last_synced_at":"2025-03-17T15:13:49.864Z","repository":{"id":37683199,"uuid":"399645113","full_name":"ethanbass/chromatographR","owner":"ethanbass","description":"Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).","archived":false,"fork":false,"pushed_at":"2025-03-16T20:40:58.000Z","size":146526,"stargazers_count":18,"open_issues_count":1,"forks_count":2,"subscribers_count":1,"default_branch":"master","last_synced_at":"2025-03-16T21:32:27.225Z","etag":null,"topics":["bioinformatics","cheminformatics","chromatography","gc-fid","hplc","hplc-dad","hplc-pda","hplv-uv","metabolomics","open-data","open-science","r","r-package","reproducibility","reproducible-research"],"latest_commit_sha":null,"homepage":"https://ethanbass.github.io/chromatographR/","language":"R","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"gpl-2.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/ethanbass.png","metadata":{"files":{"readme":"README.md","changelog":"NEWS.md","contributing":".github/contributing.md","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":"2021-08-25T00:49:47.000Z","updated_at":"2025-03-16T20:41:01.000Z","dependencies_parsed_at":"2023-02-16T13:45:55.113Z","dependency_job_id":"2065d256-10ca-4619-86c0-967bb9439cd8","html_url":"https://github.com/ethanbass/chromatographR","commit_stats":{"total_commits":708,"total_committers":9,"mean_commits":78.66666666666667,"dds":0.0692090395480226,"last_synced_commit":"b5fdf7ed61d78ac132958d6078524392cebb8bd8"},"previous_names":[],"tags_count":18,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ethanbass%2FchromatographR","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ethanbass%2FchromatographR/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ethanbass%2FchromatographR/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ethanbass%2FchromatographR/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/ethanbass","download_url":"https://codeload.github.com/ethanbass/chromatographR/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":244056424,"owners_count":20390719,"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":["bioinformatics","cheminformatics","chromatography","gc-fid","hplc","hplc-dad","hplc-pda","hplv-uv","metabolomics","open-data","open-science","r","r-package","reproducibility","reproducible-research"],"created_at":"2024-12-18T18:32:21.233Z","updated_at":"2025-03-17T15:13:49.858Z","avatar_url":"https://github.com/ethanbass.png","language":"R","funding_links":[],"categories":[],"sub_categories":[],"readme":"# chromatographR \u003ca href='https://ethanbass.github.io/chromatographR/'\u003e\u003cimg src='man/figures/logo.png' align=\"right\" height=\"160\" /\u003e\u003c/a\u003e\n\n\u003c!-- badges: start --\u003e\n  [![R-CMD-check](https://github.com/ethanbass/chromatographR/actions/workflows/R-CMD-check.yaml/badge.svg)](https://github.com/ethanbass/chromatographR/actions/workflows/R-CMD-check.yaml)\n  [![CRAN_Status_Badge](https://www.r-pkg.org/badges/version/chromatographR)](https://cran.r-project.org/package=chromatographR)\n  [![chromatographR status badge](https://ethanbass.r-universe.dev/badges/chromatographR)](https://ethanbass.r-universe.dev)\n\n  [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.7016988.svg)](https://doi.org/10.5281/zenodo.7016988)\n  [![metacran downloads](https://cranlogs.r-pkg.org/badges/grand-total/chromatographR)](https://cran.r-project.org/package=chromatographR)\n  [![metacran downloads](https://cranlogs.r-pkg.org/badges/last-month/chromatographR)](https://cran.r-project.org/package=chromatographR)\n   \u003c!-- badges: end --\u003e\n\n## Overview\n`chromatographR` is a package for the reproducible analysis of HPLC-DAD chromatographic data in R. It can also be used to analyze other \"simple\" chromatographic data like GC-FID, HPLC-UV, or HPLC-FD.\n  \n## Installation\n\nchromatographR can now be installed from CRAN:\n\n```\ninstall.packages(\"chromatographR\")\n```\n\nHowever, it's recommended to install the latest development version of chromatographR from GitHub using the devtools package:\n\n```\ninstall.packages(\"remotes\")\nremotes::install_github(\"https://github.com/ethanbass/chromatographR/\")\n```\n\nor from R Universe:\n\n```\ninstall.packages(\"chromatographR\", repos=\"https://ethanbass.r-universe.dev/\", type=\"source\")\n```\n\n## Usage\n\n#### Importing data\nchromatographR can import a variety of vendor formats, including 'Agilent ChemStation' and 'MassHunter' files. This is accomplished using parsers from my chromConverter package. See the [chromConverter page](https://ethanbass.github.io/chromConverter/) for a detailed list of supported formats. Alternatively, chromatographR can also be used with regular `csv` files.\n\n#### Analysis\nPlease see the [vignette](https://ethanbass.github.io/chromatographR/articles/chromatographR.html) included with the package for details on the application of chromatographR for the analysis of HPLC data. Additional articles are available on the pkgdown website: 1) a suggested [workflow for the analysis of GC-FID data](https://ethanbass.github.io/chromatographR/articles/GC-FID.html) (*Polistes* cuticular hydrocarbons) and 2) an introductory guide to the [programmatic analysis of UV spectra](https://ethanbass.github.io/chromatographR/articles/uv_spectra.html).\n\n## Contributing\n\nContributions are always welcome. Please get in touch (preferable by opening a GitHub [issue](https://github.com/ethanbass/chromatographR/issues)) to discuss any suggestions or to file a bug report. Some good reasons to file an issue:\n\n- You've found an actual bug.  \n- You're getting a cryptic error message that you don't understand.  \n- You have a file format you'd like to read that isn't currently supported by chromatographR.  (If you do this, please make sure to include a link to an example file!)  \n- You have a new feature you'd like to see implemented.  \n\nAlso see the [contributing.md](https://github.com/ethanbass/chromatographR/blob/master/.github/contributing.md) page for more details.\n\n(**Note:** Please post questions about file conversions to the [chromConverter](https://github.com/ethanbass/chromConverter/issues) page).\n\n## Citation:\n\nIf you use chromatographR in published work, please cite it as follows:\n\nBass, E. (2023). chromatographR: Chromatographic Data Analysis Toolset (version 0.7.3). http://doi.org/10.5281/zenodo.6944334\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fethanbass%2Fchromatographr","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fethanbass%2Fchromatographr","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fethanbass%2Fchromatographr/lists"}