Published by the Foundation for Open Access Statistics
Editors-in-chief: Bettina Grün, Torsten Hothorn, Edzer Pebesma, Achim Zeileis    ISSN 1548-7660; CODEN JSSOBK
Vol 18 (2007)

Vol 18 (2007)

Special Volume: Spectroscopy and Chemometrics in R (Editors: Katharine M. Mullen, Ivo H. M. van Stokkum)

Table of Contents


An Introduction to the "Special Volume Spectroscopy and Chemometrics in R" PDF
Katharine M. Mullen, Ivo H. M. van Stokkum
The pls Package: Principal Component and Partial Least Squares Regression in R PDF
Björn-Helge Mevik, Ron Wehrens
TIMP: An R Package for Modeling Multi-way Spectroscopic Measurements PDF
Katharine M. Mullen, Ivo H. M. van Stokkum
amsrpm: Robust Point Matching for Retention Time Aligment of LC/MS Data with R PDF
Marc Kirchner, Benjamin Saussen, Hanno Steen, Judith A. J. Steen, Fred A. Hamprecht
Chemical Informatics Functionality in R PDF
Rajarshi Guha
Model-based Methods of Classification: Using the mclust Software in Chemometrics PDF
Chris Fraley, Adrian Raftery
FluxSimulator: An R Package to Simulate Isotopomer Distributions in Metabolic Networks PDF
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 PDF
Sergey Laptenok, Katharine M. Mullen, Jan Willem Borst, Ivo H. M. van Stokkum, Vladimir V. Apanasovich, Antonie J. W. G. Visser
ImpuR: A Collection of Diagnostic Tools Developed in R in the Context of Peak Impurity Detection in HPLC-DAD but Potentially Useful with Other Types of Time-Intensity Matrices PDF
Christian Ritter, Jean Gilliard
spectrino Software: Spectra Visualization and Preparation for R PDF
Theodor Krastev
Using R-based VOStat as a Low-Resolution Spectrum Analysis Tool PDF
Jogesh G. Babu, Ashish Mahabal