Variable Penalty Dynamic Time Warping for aligning GC-MS chromatograms to a master signal and more. With the appropriate penalty this method performs good alignment without altering the shape of peaks in chromatography data.
VPdtw can be installed from CRAN:
install.packages("VPdtw")
Alternatively, the development version can be installed from GitHub:
install.packages("remotes")
remotes::install_github("ethanbass/VPdtw")or from R Universe:
install.packages("chromConverter", repos="https://ethanbass.r-universe.dev/")
Clifford, D., Stone, G., Montoliu, I., Rezzi, S., Martin, F. P., Guy, P., ... & Kochhar, S. (2009). Alignment using variable penalty dynamic time warping. Analytical chemistry, 81(3), 1000-1007. doi:http://dx.doi.org/10.1021/ac802041e
Clifford, D., & Stone, G. (2012). Variable Penalty Dynamic Time Warping Code for Aligning Mass Spectrometry Chromatograms in R. Journal of Statistical Software, 47(8), 1 - 17. doi:http://dx.doi.org/10.18637/jss.v047.i08
This package was created by David Clifford and Glenn Stone, but is now maintained by Ethan Bass.