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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 GC-MS data.
Please install the package in R directly using the commands:
install.packages("devtools")
devtools::install_github("david-clifford/VPdtw")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
Forked from David Clifford, but now maintained by Ethan Bass.
These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.
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