From e04fcfcfe06377ec180125e54fe4f458b0747a76 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Wed, 13 Nov 2019 21:48:52 +0100 Subject: Improve README --- README.md | 17 +++++------------ 1 file changed, 5 insertions(+), 12 deletions(-) (limited to 'README.md') diff --git a/README.md b/README.md index e89bdc72..602324fa 100644 --- a/README.md +++ b/README.md @@ -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"`. @@ -160,11 +160,4 @@ will hopefully be able to learn from each other in the future as well. ## 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! -- cgit v1.2.1 From 49d80b149ec36eb967cb6da3a8b6726e48bf0ecc Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 10 Dec 2019 20:46:05 +0100 Subject: Update and amend the README --- README.md | 24 +++++++++++++++++++++--- 1 file changed, 21 insertions(+), 3 deletions(-) (limited to 'README.md') diff --git a/README.md b/README.md index 602324fa..acbad934 100644 --- a/README.md +++ b/README.md @@ -112,10 +112,11 @@ 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. +of 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. -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 @@ -157,6 +158,23 @@ 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 + + + + + +
Ranke J, Meinecke S (2019) + Error Models for the Kinetic Evaluation of Chemical Degradation Data + Environments + 6 (12) 124 + doi:10.3390/environments6120124 +
Ranke J, Wöltjen J, Meinecke S (2018) + Comparison of software tools for kinetic evaluation of chemical degradation data + Environmental Sciences Europe + 30 17 + doi:10.1186/s12302-018-0145-1 +
## Development -- cgit v1.2.1 From 7c8e06d4bae9ec80574147005b7e933937447220 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 10 Dec 2019 20:56:10 +0100 Subject: More additions to the README --- README.md | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) (limited to 'README.md') diff --git a/README.md b/README.md index acbad934..8a0ecc50 100644 --- a/README.md +++ b/README.md @@ -111,10 +111,14 @@ 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 package [deSolve](https://cran.r-project.org/package=deSolve). +`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. +[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. `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 -- cgit v1.2.1