FIEmspro - Flow Injection Electrospray Mass Spectrometry Processing: data processing, classification modelling and variable selection in metabolite fingerprinting

Functions for profile processing, data baseline correction, imputation of low or missing values, outlier detection, data checking, data transformations, linear discriminant analysis in high dimensional space, general routines for robust validation of classifiers and feature ranking. More details are available in the paper Preprocessing, classification modeling and feature selection using flow injection electrospray mass spectrometr y metabolite fingerprint data published in Nature Protocols.

Depends:R (>= 2.0.0), e1071, randomForest, class, MASS, ncdf, impute,
KernSmooth, RColorBrewer, xtable, plotrix
Authors:Manfred Beckmann, David Enot and Wanchang Lin
Maintainer:Wanchang Lin
License:GPL version 2 or newer

Package source:FIEmspro_1.1-0.tar.gz
Reference manual:FIEmspro.pdf

Illustrated workflow:
R source code:workflow.R
Sweave code:workflowdoc.Rmw
PDF document:workflowdoc.pdf

Additional informations for the advanced use of FIEmspro:
Sweave code:advuse.Rnw
PDF document:advuse.pdf

Rarmec - Interfacing R with ARMeC

Set of functions to query ARMeC database directly during and/or after the data analysis process. This package is the companion of the Nature Protocols paper Explanatory Signal Interpretation and Metabolite Identification Strategies for Nominal Mass FIE-MS Metabolite Fingerprints.

Depends:R (>= 2.0.0)
Authors:David Enot and Chuan Lu
Maintainer:David Enot
License:GPL version 2 or newer

Package source:Rarmec_1.0.tar.gz
Reference manual:Rarmec.pdf