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rgcxgc

An R package for preprocessing and Multivariate Analysis of Two-dimensional Gas Chromatography Data

https://github.com/danielquiroz97/rgcxgc

Science Score: 33.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ○
    codemeta.json file
  • ○
    .zenodo.json file
  • ✓
    DOI references
    Found 24 DOI reference(s) in README
  • ✓
    Academic publication links
    Links to: sciencedirect.com, wiley.com, acs.org
  • ✓
    Committers with academic emails
    2 of 3 committers (66.7%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (17.9%) to scientific vocabulary

Keywords

chemometrics gcxgc multiway-algorithms preprocessing r
Last synced: 6 months ago · JSON representation

Repository

An R package for preprocessing and Multivariate Analysis of Two-dimensional Gas Chromatography Data

Basic Info
Statistics
  • Stars: 7
  • Watchers: 1
  • Forks: 3
  • Open Issues: 2
  • Releases: 1
Topics
chemometrics gcxgc multiway-algorithms preprocessing r
Created about 7 years ago · Last pushed almost 3 years ago
Metadata Files
Readme License

README.Rmd 

---
output: github_document
---



RGCxGC logo



[![CRAN Status](http://www.r-pkg.org/badges/version/RGCxGC?color=yellow)](https://cran.r-project.org/package=RGCxGC)
[![](http://cranlogs.r-pkg.org/badges/grand-total/RGCxGC?color=orange)](https://cran.r-project.org/package=RGCxGC)
[![](http://cranlogs.r-pkg.org/badges/RGCxGC?color=blue)](https://cran.r-project.org/package=RGCxGC)
[![](http://cranlogs.r-pkg.org/badges/last-week/RGCxGC?color=green)](https://cran.r-project.org/package=RGCxGC)

Download
[![R-CMD-check](https://github.com/DanielQuiroz97/RGCxGC/actions/workflows/R-CMD-check.yaml/badge.svg)](https://github.com/DanielQuiroz97/RGCxGC/actions/workflows/R-CMD-check.yaml)


```{r setup, include = FALSE}
knitr::opts_chunk$set(
  collapse = TRUE,
  comment = "#>",
  fig.path = "man/figures/README-",
  out.width = "100%"
)
```

# RGCxGC

The goal of RGCxGC is to provide an easy-to-use platform to analyze
two-dimensional gas chromatography data. RGCxGC offers common pre-processing 
algorithms for signal enhancement, such as baseline correction based on
[asymetric least squares](https://pubs.acs.org/doi/abs/10.1021/ac034800e), 
smoothing based on the [Whittaker smoother](https://pubs.acs.org/doi/abs/10.1021/ac034173t), and
peak alignment [2D COW](https://pubs.acs.org/doi/abs/10.1021/ac7024317). 
Furthermore, the multiway principal component analysis is implemented based
on the [Wold's approach](https://onlinelibrary.wiley.com/doi/abs/10.1002/cem.1180010107).



|   Quick Links  |
|:-------|
| [**RGCxGC Paper**](https://www.sciencedirect.com/science/article/abs/pii/S0026265X20304914) |
| [**Installation**](https://github.com/DanielQuiroz97/RGCxGC#Installation) |
| [**CRAN Version**](https://cran.r-project.org/package=RGCxGC) |

|   Tutorials  |
|:-------|
| [**Introduction to RGCxGC package**](https://cran.r-project.org/web/packages/RGCxGC/vignettes/Explanation.html) |
| [**Customizing 2D chromatogram visualization**](https://cran.rstudio.com/web/packages/RGCxGC/vignettes/plotting_chromatograms.html)|




## Installation

Install the released version of RGCxGC from [CRAN](https://CRAN.R-project.org) with `install.packages("RGCxGC")`.

Install the working version of RGCxGC from [GitHub](https://github.com) with `devtools::install_github("DanielQuiroz97/RGCxGC")`.

## Citing RGCxGC
Quiroz-Moreno, C., Furlan, M. F., Belinato, J. R., Augusto, F., Alexandrino,
G. L., & Mogollón, N. G. (2020). RGCxGC toolbox: An R-package for data 
processing in comprehensive two-dimensional gas
chromatography-mass spectrometry. Microchemical Journal, 156, 104830.
[https://doi.org/10.1016/j.microc.2020.104830](https://doi.org/10.1016/j.microc.2020.104830)


## References
Eilers, P. H. (2003). A Perfect Smoother. Analytical Chemistry, 75(14),
3631-3636. [https://doi.org/10.1021/ac034173t](https://doi.org/10.1021/ac034173t)

Eilers, P. H. (2004). Parametric Time Warping. Analytical Chemistry, 76(2),
404-411. [https://doi.org/10.1021/ac034800e](https://doi.org/10.1021/ac034800e)

Wold, S., Geladi, P., Esbensen, K., & Öhman, J. (1987).
Multi-way principal components-and PLS-analysis. Journal of Chemometrics, 1(1),
41-56. [https://doi.org/10.1002/cem.1180010107](https://doi.org/10.1002/cem.1180010107)

Zhang, D., Huang, X., Regnier, F. E., & Zhang, M. (2008). Two-Dimensional
Correlation Optimized Warping Algorithm for Aligning GC×GC−MS Data.
Analytical Chemistry, 80(8), 2664-2671. 
[https://doi.org/10.1021/ac7024317]([https://doi.org/10.1021/ac7024317])

Owner

  • Name: Cristian Quiroz-Moreno
  • Login: DanielQuiroz97
  • Kind: user
  • Location: Columbus, OH
  • Company: Ohio State Unversity

Biotechnologist, interested in data science, focused on chemometrics and bioinformatics.

GitHub Events

Total
Last Year

Committers

Last synced: about 2 years ago

All Time
  • Total Commits: 86
  • Total Committers: 3
  • Avg Commits per committer: 28.667
  • Development Distribution Score (DDS): 0.047
Past Year
  • Commits: 17
  • Committers: 1
  • Avg Commits per committer: 17.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
DanielQuiroz97 c****7@g****m 82
DanielQuiroz97 c****e@C****c 2
Quiroz Moreno q****1@c****u 2
Committer Domains (Top 20 + Academic)
c02y52z8jg5h.bcd.it.osu.edu: 1 ciz-quime.uce.edu.ec: 1

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 5
  • Total pull requests: 2
  • Average time to close issues: 5 months
  • Average time to close pull requests: 5 minutes
  • Total issue authors: 5
  • Total pull request authors: 1
  • Average comments per issue: 0.8
  • Average comments per pull request: 0.0
  • Merged pull requests: 2
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • MikeDereviankin (1)
  • DominikGuggisberg (1)
  • Shideler (1)
  • HenrikBengtsson (1)
  • kanandz (1)
Pull Request Authors
  • DanielQuiroz97 (2)
Top Labels
Issue Labels
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads:
    • cran 228 last-month
  • Total docker downloads: 21,613
  • Total dependent packages: 0
  • Total dependent repositories: 0
  • Total versions: 5
  • Total maintainers: 1
cran.r-project.org: RGCxGC

Preprocessing and Multivariate Analysis of Bidimensional Gas Chromatography Data

  • Versions: 5
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 228 Last month
  • Docker Downloads: 21,613
Rankings
Forks count: 17.8%
Stargazers count: 19.8%
Dependent packages count: 29.8%
Dependent repos count: 35.5%
Average: 37.3%
Downloads: 83.5%
Maintainers (1)
cristianquirozd1997@gmail.com
Last synced: 6 months ago

Dependencies

.github/workflows/R-CMD-check.yaml actions
  • 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
.github/workflows/pkgdown.yaml actions
  • 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
DESCRIPTION cran
  • R >= 4.2.0 depends
  • RNetCDF * depends
  • ptw * depends
  • Rdpack * imports
  • colorRamps * imports
  • graphics * imports
  • methods * imports
  • stats * imports
  • knitr * suggests
  • lattice * suggests
  • prettydoc * suggests
  • rmarkdown * suggests