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. Heteroscedasticity can be taken into account using variance by variable or two-component error models as described by Ranke and Meinecke (2018) <doi:10.3390/environments6120124>. Interfaces to several nonlinear mixed-effects model packages are available, some of which are described by Ranke et al. (2021) <doi:10.3390/environments8080071>. Please note that no warranty is implied for correctness of results or fitness for a particular purpose.

Version: 1.2.1
Depends: R (≥ 2.15.1)
Imports: stats, graphics, methods, parallel, deSolve, R6, inline (≥ 0.3.19), numDeriv, lmtest, pkgbuild, nlme (≥ 3.1-151), saemix (≥ 3.1), rlang, vctrs
Suggests: knitr, rbenchmark, tikzDevice, testthat, rmarkdown, covr, vdiffr, benchmarkme, tibble, stats4, readxl
Published: 2022-11-19
Author: Johannes Ranke ORCID iD [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
Example evaluation of FOCUS Laboratory Data L1 to L3
mkin - Kinetic evaluation of chemical degradation data
Calculation of time weighted average concentrations with mkin

Downloads:

Package source: mkin_1.2.1.tar.gz
Windows binaries: r-devel: mkin_1.2.1.zip, r-release: mkin_1.1.1.zip, r-oldrel: mkin_1.2.1.zip
macOS binaries: r-release (arm64): mkin_1.2.1.tgz, r-oldrel (arm64): mkin_1.2.1.tgz, r-release (x86_64): mkin_1.2.1.tgz, r-oldrel (x86_64): mkin_1.2.1.tgz
Old sources: mkin archive

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