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Diffstat (limited to 'README.md')
| -rw-r--r-- | README.md | 47 |
1 files changed, 31 insertions, 16 deletions
@@ -71,7 +71,7 @@ and at [R-Forge](http://kinfit.r-forge.r-project.org/mkin_static/index.html). so their estimators can more reasonably be expected to follow a normal distribution. This has the side effect that no constraints are needed in the optimisation. Thanks to René Lehmann for the nice - cooperation on this, especially the isometric logration transformation + cooperation on this, especially the isometric log-ratio transformation that is now used for the formation fractions. * A side effect of this is that when parameter estimates are backtransformed to match the model definition, confidence intervals calculated from @@ -91,9 +91,9 @@ and at [R-Forge](http://kinfit.r-forge.r-project.org/mkin_static/index.html). * Three different error models can be selected using the argument `error_model` to the [`mkinfit`](https://pkgdown.jrwb.de/mkin/reference/mkinfit.html) function. -* Iteratively reweighted least squares fitting is now obsolete, and the - variance by variable error model should now be specified as `error_model - = "obs"`. +* The 'variance by variable' error model which is often fitted using + Iteratively Reweighted Least Squares (IRLS) should now be specified as + `error_model = "obs"`. * A two-component error model similar to the one proposed by [Rocke and Lorenzato](https://pkgdown.jrwb.de/mkin/reference/sigma_twocomp.html) can be selected using the argument `error_model = "tc"`. @@ -111,11 +111,16 @@ and one for the [github master branch](https://github.com/jranke/mkin/blob/maste ## Credits and historical remarks -`mkin` would not be possible without the underlying software stack consisting -of R and the packages [deSolve](https://cran.r-project.org/package=deSolve) -and [FME](https://cran.r-project.org/package=FME), to say the least. +`mkin` would not be possible without the underlying software stack consisting of, +among others, R and the package [deSolve](https://cran.r-project.org/package=deSolve). +In previous version, `mkin` was also using the functionality of the +[FME](https://cran.r-project.org/package=FME) package. Please refer to the +[package page on CRAN](https://cran.r-project.org/package=mkin) for the full list +of imported and suggested R packages. Also, [Debian Linux](https://debian.org), +the vim editor and the [Nvim-R](https://github.com/jalvesaq/Nvim-R) plugin have +been invaluable in its development. -It could not have been written without me being introduced to regulatory fate +`mkin` could not have been written without me being introduced to regulatory fate modelling of pesticides by Adrian Gurney during my time at Harlan Laboratories Ltd (formerly RCC Ltd). `mkin` greatly profits from and largely follows the work done by the @@ -157,14 +162,24 @@ Finally, there is a further development of the scripts used for KinGUII, so the different tools will hopefully be able to learn from each other in the future as well. +## References + +<table> + <tr><td>Ranke J, Meinecke S (2019) + Error Models for the Kinetic Evaluation of Chemical Degradation Data + <i>Environments</i> + <b>6</b> (12) 124 + <a href='https://doi.org/10.3390/environments6120124'>doi:10.3390/environments6120124</a> + </td></tr> + + <tr><td>Ranke J, Wöltjen J, Meinecke S (2018) + Comparison of software tools for kinetic evaluation of chemical degradation data + <i>Environmental Sciences Europe</i> + <b>30</b> 17 + <a href='https://doi.org/10.1186/s12302-018-0145-1'>doi:10.1186/s12302-018-0145-1</a> + </td></tr> +</table> ## Development -Contributions are welcome! Your -[mkin fork](https://help.github.com/articles/fork-a-repo) is just a mouse click -away... The master branch on github should always be in good shape, I implement -new features in separate branches now. If you prefer subversion, project -members for the -[r-forge project](http://r-forge.r-project.org/R/?group_id=615) are welcome as well. -Generally, the source code of the latest CRAN version should be available there. -You can also browse the source code at [cgit.jrwb.de/mkin](http://cgit.jrwb.de/mkin). +Contributions are welcome! |