R-package for TIC and LC/MS peak alignment
M. Kirchner, Benjamin Saussen, Judith AJ Steen, Hanno Steen, and Fred A. Hamprecht
amsrpm is an R-package for TIC and LC/MS peak alignment. It is based on functional data analysis methods, as described in Ramsay and Silverman, 1997. Code and the related publication are available as part of a Special Volume an Spectroscopy and Chemometrics in R of the Journal of Statistical Software. In the meantime we have developed much more sophisticated algorithms for the alignment/registration of LC/MS datasets which are pending publication. Contact M. Kirchner for further information.