quantchem: Quantitative chemical analysis: calibration and evaluation of results

Statistical evaluation of calibration curves by different regression techniques: ordinary, weighted, robust (up to 4th order polynomial). Log-log and Box-Cox transform, estimation of optimal power and weighting scheme. Tests for heteroscedascity and normality of residuals. Different kinds of plots commonly used in illustrating calibrations. Easy "inverse prediction" of concentration by given responses and statistical evaluation of results (comparison of precision and accuracy by common tests).

Version: 0.13
Depends: R (≥ 2.0), MASS, outliers
Published: 2012-08-20
Author: Lukasz Komsta
Maintainer: Lukasz Komsta <lukasz.komsta at umlub.pl>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
URL: http://www.r-project.org, http://www.komsta.net/
NeedsCompilation: no
In views: ChemPhys
CRAN checks: quantchem results


Reference manual: quantchem.pdf
Package source: quantchem_0.13.tar.gz
Windows binaries: r-devel: quantchem_0.13.zip, r-release: quantchem_0.13.zip, r-oldrel: quantchem_0.13.zip
OS X Snow Leopard binaries: r-release: quantchem_0.13.tgz, r-oldrel: quantchem_0.13.tgz
OS X Mavericks binaries: r-release: quantchem_0.13.tgz
Old sources: quantchem archive