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 |