RnmrQuant1D

Package dedicated to quantification from 1D NMR spectra, including peak fitting and calibration using standard spectra.

Visit the Wiki page for a detailed tutorial

---

Installation

1. R version >= 4.3.0 - Rtools >=4.3 required for Windows - Recommanded : RStudio

2. Rnmr1D (>= 1.6.0)

• Packages to be installed : (see https://github.com/INRA/Rnmr1D)

  Rcpp (>= 0.12.7), base64enc (>= 0.1), MASS(>= 7.3), Matrix, methods, scales, doParallel (>= 1.0.11), 
  foreach (>= 1.4.4), igraph (>= 1.2.1), impute (>= 1.54.0)(*) , MassSpecWavelet (>= 1.46.0)(*), 
  ptw (>= 1.9), signal (>= 0.7), XML (>= 3.98), ggplot2 (>= 3.0.0), plotly (>= 4.8.0), plyr (>= 1.8.4), 
  minqa (>= 1.2.4)

  • (*) packages deposited in Bioconductor

3. RnmrQuant1D

• Packages to be installed

  Rnmr1D (>= 1.6.0), foreach (>= 1.5.2), doParallel (>= 1.0.17), magrittr (>= 2.0.3), 
  DT (>= 0.29), plotly (>= 4.8.0), openxlsx (>= 4.2.0),  webshot2 (>= 0.1.1)

• Installation of the R package

  if (!require("devtools"))
    install.packages("devtools", repos="https://cran.rstudio.com")
  devtools::install_github("djacob65/RnmrQuant1D", dependencies = TRUE)
  

• See Installation test performed on Google Collab.

---

Funded by:

• Agence Nationale de la Recherche - ANR-21-CE21-0014
• UMR INRAE BFP Bordeaux
• UR INRAE BIA Nantes

License

GNU GENERAL PUBLIC LICENSE Version 3, 29 June 2007 - See the included LICENSE file.