mkin: Kinetic Evaluation of Chemical Degradation Data (original) (raw)
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>. Hierarchical degradation models can be fitted using nonlinear mixed-effects model packages as a back end as 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:
1.2.6
Depends:
R (≥ 2.15.1)
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:
2023-10-14
DOI:
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:
NeedsCompilation:
no
Language:
en-GB
Materials:
In views:
CRAN checks: