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 |