chromatographr
Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).
Science Score: 49.0%
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✓DOI references
Found 5 DOI reference(s) in README -
✓Academic publication links
Links to: zenodo.org -
○Committers with academic emails
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○Scientific vocabulary similarity
Low similarity (17.0%) to scientific vocabulary
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Repository
Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).
Basic Info
- Host: GitHub
- Owner: ethanbass
- License: gpl-2.0
- Language: R
- Default Branch: master
- Homepage: https://ethanbass.github.io/chromatographR/
- Size: 199 MB
Statistics
- Stars: 20
- Watchers: 1
- Forks: 3
- Open Issues: 1
- Releases: 17
Topics
Metadata Files
README.md
chromatographR 
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Overview
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.
Installation
chromatographR can now be installed from CRAN:
install.packages("chromatographR")
However, it's recommended to install the latest development version of chromatographR from GitHub using the devtools package:
install.packages("remotes")
remotes::install_github("https://github.com/ethanbass/chromatographR/")
or from R Universe:
install.packages("chromatographR", repos="https://ethanbass.r-universe.dev/", type="source")
Usage
Importing data
chromatographR 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 for a detailed list of supported formats. Alternatively, chromatographR can also be used with regular csv files.
Analysis
Please see the vignette 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 (Polistes cuticular hydrocarbons) and 2) an introductory guide to the programmatic analysis of UV spectra.
Contributing
Contributions are always welcome. Please get in touch (preferable by opening a GitHub issue) to discuss any suggestions or to file a bug report. Some good reasons to file an issue:
- You've found an actual bug.
- You're getting a cryptic error message that you don't understand.
- 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!)
- You have a new feature you'd like to see implemented.
Also see the contributing.md page for more details.
(Note: Please post questions about file conversions to the chromConverter page).
Citation:
If you use chromatographR in published work, please cite it as follows:
Bass, E. (2023). chromatographR: Chromatographic Data Analysis Toolset (version 0.7.3). http://doi.org/10.5281/zenodo.6944334
Owner
- Name: Ethan Bass
- Login: ethanbass
- Kind: user
- Company: Cornell University
- Website: https://ethanbass.github.io
- Twitter: Bass_E_
- Repositories: 7
- Profile: https://github.com/ethanbass
I'm a scientist studying plant interactions & their chemical mechanisms in the @Kessler-Lab. I also do some scientific software development in R.
GitHub Events
Total
- Create event: 4
- Issues event: 5
- Release event: 2
- Watch event: 8
- Delete event: 1
- Issue comment event: 29
- Push event: 69
- Fork event: 2
Last Year
- Create event: 4
- Issues event: 5
- Release event: 2
- Watch event: 8
- Delete event: 1
- Issue comment event: 29
- Push event: 69
- Fork event: 2
Committers
Last synced: about 1 year ago
Top Committers
| Name | Commits | |
|---|---|---|
| Ethan Bass | e****s@g****m | 662 |
| Ron Wehrens | r****s@g****m | 26 |
| Dan Tenenbaum | d****a@f****g | 10 |
| Herve Pages | h****s@f****g | 4 |
| vobencha | v****a@g****m | 2 |
| Nitesh Turaga | n****a@g****m | 2 |
| Hervé Pagès | h****s@f****g | 2 |
| vobencha | v****n@r****g | 2 |
| Marc Carlson | m****n@f****g | 1 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 18
- Total pull requests: 18
- Average time to close issues: 25 days
- Average time to close pull requests: about 6 hours
- Total issue authors: 13
- Total pull request authors: 1
- Average comments per issue: 5.0
- Average comments per pull request: 0.06
- Merged pull requests: 17
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 3
- Pull requests: 0
- Average time to close issues: 2 months
- Average time to close pull requests: N/A
- Issue authors: 3
- Pull request authors: 0
- Average comments per issue: 9.67
- Average comments per pull request: 0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- ethanbass (3)
- thuvousc (2)
- jenny-mrchl (2)
- crestre (2)
- IMPHank16 (1)
- BenDMoore (1)
- filipevictoria (1)
- TomWarburtonIA (1)
- Phenomniverse (1)
- tchrisboles (1)
- JAEYOONSUNG (1)
- paxhl5 (1)
- raimanish8 (1)
Pull Request Authors
- ethanbass (19)
Top Labels
Issue Labels
Pull Request Labels
Packages
- Total packages: 1
- Total downloads: unknown
- Total docker downloads: 21,613
- Total dependent packages: 0
- Total dependent repositories: 0
- Total versions: 3
cran.r-project.org: chromatographR
Chromatographic Data Analysis Toolset
- Homepage: https://ethanbass.github.io/chromatographR/
- Documentation: http://cran.r-project.org/web/packages/chromatographR/chromatographR.pdf
- License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
- Status: removed
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Latest release: 0.4.4
published over 3 years ago
Rankings
Dependencies
- actions/checkout v3 composite
- r-lib/actions/check-r-package v2 composite
- r-lib/actions/setup-pandoc v2 composite
- r-lib/actions/setup-r v2 composite
- r-lib/actions/setup-r-dependencies v2 composite
- JamesIves/github-pages-deploy-action v4.4.1 composite
- actions/checkout v3 composite
- r-lib/actions/setup-pandoc v2 composite
- r-lib/actions/setup-r v2 composite
- r-lib/actions/setup-r-dependencies v2 composite
- R >= 3.5.0 depends
- chromConverter * imports
- dynamicTreeCut * imports
- fastcluster * imports
- grDevices * imports
- graphics * imports
- lattice * imports
- methods * imports
- minpack.lm * imports
- parallel * imports
- ptw * imports
- pvclust * imports
- scales * imports
- smoother * imports
- stats * imports
- utils * imports
- VPdtw * suggests
- knitr * suggests
- rmarkdown * suggests
- spelling * suggests
- testthat >= 3.0.0 suggests
- vdiffr * suggests