Special Volume: Spectroscopy and Chemometrics in R (Editors: Katharine M. Mullen, Ivo H. M. van Stokkum)
Table of Contents
Articles
An Introduction to the "Special Volume Spectroscopy and Chemometrics in R" | |
Katharine M. Mullen, Ivo H. M. van Stokkum |
The pls Package: Principal Component and Partial Least Squares Regression in R | |
Björn-Helge Mevik, Ron Wehrens |
TIMP: An R Package for Modeling Multi-way Spectroscopic Measurements | |
Katharine M. Mullen, Ivo H. M. van Stokkum |
amsrpm: Robust Point Matching for Retention Time Aligment of LC/MS Data with R | |
Marc Kirchner, Benjamin Saussen, Hanno Steen, Judith A. J. Steen, Fred A. Hamprecht |
Chemical Informatics Functionality in R | |
Rajarshi Guha |
Model-based Methods of Classification: Using the mclust Software in Chemometrics | |
Chris Fraley, Adrian Raftery |
FluxSimulator: An R Package to Simulate Isotopomer Distributions in Metabolic Networks | |
Thomas W. Binsl, Katharine M. Mullen, Ivo H. M. van Stokkum, Jaap Heringa, Johannes H. G. M. van Beek |
Fluorescence Lifetime Imaging Microscopy (FLIM) Data Analysis with TIMP | |
Sergey Laptenok, Katharine M. Mullen, Jan Willem Borst, Ivo H. M. van Stokkum, Vladimir V. Apanasovich, Antonie J. W. G. Visser |
spectrino Software: Spectra Visualization and Preparation for R | |
Theodor Krastev |
Using R-based VOStat as a Low-Resolution Spectrum Analysis Tool | |
Jogesh G. Babu, Ashish Mahabal |