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Diffstat (limited to 'vignettes/mkin.Rmd')
| -rw-r--r-- | vignettes/mkin.Rmd | 25 |
1 files changed, 11 insertions, 14 deletions
diff --git a/vignettes/mkin.Rmd b/vignettes/mkin.Rmd index 4f3ac7fc..b0d97f7e 100644 --- a/vignettes/mkin.Rmd +++ b/vignettes/mkin.Rmd @@ -69,17 +69,14 @@ plot_sep(f_SFO_SFO_SFO, lpos = c("topright", "bottomright", "bottomright")) Many approaches are possible regarding the evaluation of chemical degradation data. -The now deprecated `kinfit` package [@pkg:kinfit] in `R` [@rcore2016] -implements the approach recommended in the kinetics report provided by the -FOrum for Co-ordination of pesticide fate models and their USe [@FOCUS2006; --@FOCUSkinetics2014] for simple data series for one parent compound in one -compartment. - -The `mkin` package [@pkg:mkin] extends this approach to data series with -transformation products, commonly termed metabolites, and to more than one -compartment. It is also possible to include back reactions, so equilibrium -reactions and equilibrium partitioning can be specified, although this -oftentimes leads to an overparameterisation of the model. +The `mkin` package [@pkg:mkin] implements the approach recommended in the +kinetics report provided by the FOrum for Co-ordination of pesticide fate +models and their USe [@FOCUS2006; -@FOCUSkinetics2014] implements this approach +for simple decline data series, data series with transformation products, +commonly termed metabolites, data series for more than one compartment. It is +also possible to include back reactions, so equilibrium reactions and +equilibrium partitioning can be specified, although this oftentimes leads to an +overparameterisation of the model. When the first `mkin` code was published in 2010, the most commonly used tools for fitting more complex kinetic degradation models to experimental data were @@ -90,9 +87,9 @@ compartment based tool providing infrastructure for fitting dynamic simulation models based on differential equations to data. The code was first uploaded to the BerliOS platform. When this was taken down, -the version control history was imported into the R-Forge site, where the code -is still mirrored today (see *e.g.* -[the initial commit on 11 May 2010](http://cgit.jrwb.de/mkin/commit/?id=30cbb4092f6d2d3beff5800603374a0d009ad770)). +the version control history was imported into the R-Forge site (see *e.g.* +[the initial commit on 11 May 2010](http://cgit.jrwb.de/mkin/commit/?id=30cbb4092f6d2d3beff5800603374a0d009ad770)), +where the code is still occasionally updated. At that time, the R package `FME` (Flexible Modelling Environment) [@soetaert2010] was already available, and provided a good basis for |