mkin: Kinetic Evaluation of Chemical Degradation Data

Calculation routines based on the FOCUS Kinetics Report (2006, 2014). Includes a function for conveniently defining differential equation models, model solution based on eigenvalues if possible or using numerical solvers. If a C compiler (on windows: 'Rtools') is installed, differential equation models are solved using automatically generated C functions. Non-constant errors can be taken into account using variance by variable or two-component error models <doi:10.3390/environments6120124>. Hierarchical degradation models can be fitted using nonlinear mixed-effects model packages as a back end <doi:10.3390/environments8080071>. Please note that no warranty is implied for correctness of results or fitness for a particular purpose.

Version:	1.2.9
Depends:	R (≥ 4.1.0)
Imports:	stats, graphics, methods, parallel, deSolve (≥ 1.35), R6, inline (≥ 0.3.19), numDeriv, lmtest, pkgbuild, nlme (≥ 3.1-151), saemix (≥ 3.2), rlang, vctrs
Suggests:	knitr, rbenchmark, tikzDevice, testthat, rmarkdown, covr, vdiffr, benchmarkme, tibble, stats4, readxl
Published:	2025-02-13
DOI:	10.32614/CRAN.package.mkin
Author:	Johannes Ranke [aut, cre, cph], Katrin Lindenberger [ctb] (contributed to mkinresplot()), René Lehmann [ctb] (ilr() and invilr()), Eurofins Regulatory AG [cph] (copyright for some of the contributions of JR 2012-2014)
Maintainer:	Johannes Ranke <johannes.ranke at jrwb.de>
BugReports:	https://github.com/jranke/mkin/issues/
License:	GPL-2 | GPL-3 [expanded from: GPL]
URL:	https://pkgdown.jrwb.de/mkin/
NeedsCompilation:	no
Language:	en-GB
Materials:	README NEWS
In views:	DifferentialEquations
CRAN checks:	mkin results

Documentation:

Reference manual:

mkin.pdf

Vignettes:

Example evaluation of FOCUS Example Dataset D (source, R code) Example evaluation of FOCUS Laboratory Data L1 to L3 (source, R code) Short introduction to mkin (source, R code) Calculation of time weighted average concentrations with mkin (source) Testing hierarchical pathway kinetics with residue data on cyantraniliprole (source) Testing hierarchical parent degradation kinetics with residue data on dimethenamid and dimethenamid-P (source) Testing hierarchical pathway kinetics with residue data on dimethenamid and dimethenamid-P (source) Testing covariate modelling in hierarchical parent degradation kinetics with residue data on mesotrione (source)

Downloads:

Package source:	mkin_1.2.9.tar.gz
Windows binaries:	r-devel: mkin_1.2.9.zip, r-release: mkin_1.2.9.zip, r-oldrel: mkin_1.2.9.zip
macOS binaries:	r-devel (arm64): mkin_1.2.9.tgz, r-release (arm64): mkin_1.2.9.tgz, r-oldrel (arm64): mkin_1.2.9.tgz, r-devel (x86_64): mkin_1.2.9.tgz, r-release (x86_64): mkin_1.2.9.tgz, r-oldrel (x86_64): mkin_1.2.9.tgz
Old sources:	mkin archive

Linking:

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