Volume 18
Special Volume: Spectroscopy and Chemometrics in R
Articles
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An Introduction to the 'Special Volume Spectroscopy and Chemometrics in R'
Katharine M. Mullen, Ivo H. M. van Stokkum
Vol. 18, Issue 1, Jan 2007Submitted 2007-01-16, Accepted 2007-01-16
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The pls Package: Principal Component and Partial Least Squares Regression in R
Björn-Helge Mevik, Ron Wehrens
Vol. 18, Issue 2, Jan 2007Submitted 2006-10-04, Accepted 2007-01-10
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TIMP: An R Package for Modeling Multi-way Spectroscopic Measurements
Katharine M. Mullen, Ivo H. M. van Stokkum
Vol. 18, Issue 3, Jan 2007Submitted 2006-10-01, Accepted 2007-01-10
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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
Vol. 18, Issue 4, Jan 2007Submitted 2006-09-30, Accepted 2007-07-19
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Chemical Informatics Functionality in R
Rajarshi Guha
Vol. 18, Issue 5, Jan 2007Submitted 2006-09-25, Accepted 2007-01-01
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Model-based Methods of Classification: Using the mclust Software in Chemometrics
Chris Fraley, Adrian Raftery
Vol. 18, Issue 6, Jan 2007Submitted 2006-09-27, Accepted 2007-01-10
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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
Vol. 18, Issue 7, Jan 2007Submitted 2006-09-28, Accepted 2007-01-10
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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
Vol. 18, Issue 8, Jan 2007Submitted 2006-12-11, Accepted 2007-01-10
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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
Christian Ritter, Jean Gilliard
Vol. 18, Issue 9, Jan 2007Submitted 2006-10-24, Accepted 2007-01-11
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spectrino Software: Spectra Visualization and Preparation for R
Theodor Krastev
Vol. 18, Issue 10, Jan 2007Submitted 2006-10-01, Accepted 2007-01-10
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Using R-based VOStat as a Low-Resolution Spectrum Analysis Tool
Jogesh G. Babu, Ashish Mahabal
Vol. 18, Issue 11, Jan 2007Submitted 2006-10-16, Accepted 2007-01-10