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aquap2 - Multivariate Data Analysis Tools for R including Aquaphotomics Methods

Authors: Bernhard Pollner & Zoltan Kovacs

DOI

Getting Started

To install the R-package "aquap2", do a github-install via devtools, in that way all dependencies should get installed as well.

If you work on a Windows-machine, first download and install R-tools. (Re-start the R-session.)

In the further steps, pay attention to the output of the console.

If not already done, install the package "devtools" via

install.packages("devtools")

Use devtools to install a package dependency not available on CRAN:

library(devtools)
install_github(repo="rwehrens/ChemometricsWithR", ref="master")

Install aquap2 from this repository:

install_github(repo="bpollner/aquap2", ref="latestPublic")

You can now launch aquap2 and perform (only required at first use) the required setup

library(aquap2)
updateSettings()
updateSettings()

All required code in a single block:

install.packages("devtools")
library(devtools)
install_github(repo="rwehrens/ChemometricsWithR", ref="master")
install_github(repo="bpollner/aquap2", ref="latestPublic")
library(aquap2)
updateSettings()
updateSettings()

Course Material

The repository aquap2_courseMaterial contains a demo dataset with some exploratory and quantitative data analysis steps designed to give a first impression of some of the functions of aquap2. This is the same demo-dataset as handed out at The 3rd Aquaphotomics Symposium in Japan in December 2018.

Note

Please note that the package in its current state is in several parts still considered to be beta:

  • From the cross-validated classifier methods, only "fda" and "lda" have undergone a certain amount of testing, the other methods (nnet etc.) have been built in, but still require testing and the implementation of optimization options

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Multivariate Data Analysis Tools for R including Aquaphotomics Methods

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