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authorJohannes Ranke <jranke@uni-bremen.de>2020-03-27 11:47:48 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2020-03-27 11:47:48 +0100
commit20ece4e0bcbeceb90a940e04a858f4ffb6d6b5e4 (patch)
tree7595dbb6e129332a6ad0c273ecd3fbd92643e0d5 /README.md
parent731dd9450f08868140f90af7a305133ec9342994 (diff)
parent68eed166cbe10a5ee79f5b1139261dea98234b22 (diff)
Merge branch 'master' into mxkin
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@@ -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!

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