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authorjranke <jranke@edb9625f-4e0d-4859-8d74-9fd3b1da38cb>2013-11-12 00:33:13 +0000
committerjranke <jranke@edb9625f-4e0d-4859-8d74-9fd3b1da38cb>2013-11-12 00:33:13 +0000
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parentb167b8950b92bc0f4eb7a1f8eda06916343c680e (diff)
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commit 66766071b638ef892a8f54741806c302c7b3ff94 Author: Johannes Ranke <jranke@uni-bremen.de> Date: Tue Nov 12 01:28:30 2013 +0100 Fixed link and improved text of the github README commit 64e1da1517abd57936bc8bd7410bb0c43c6b2a0a Author: Johannes Ranke <jranke@uni-bremen.de> Date: Tue Nov 12 01:20:20 2013 +0100 Some more meat to the README git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@158 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
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The R package **mkin** provides calculation routines for the analysis of chemical
degradation data, including **m**ulticompartment **kin**etics as needed for modelling
the formation and decline of transformation products.
+
+## Installation
+
+You can install the latest released version from
+[CRAN](http://cran.r-project.org/package=mkin) from within R:
+
+```s
+install.packages('mkin')
+```
+
+A development version is usually available from [R-Forge](http://r-forge.r-project.org/R/?group_id=615):
+
+```s
+install.packages('mkin', repos = 'http://r-forge.r-project.org')
+```
+
+If R-Forge is lacking behind or if you prefer, you can install directly from
+github using the `devtools` package:
+
+```s
+require(devtools)
+install_github("mkin", "jranke")
+```
+
+## Usage
+
+For a start, have a look at the examples provided in the
+[mkinfit Documentation](http://kinfit.r-forge.r-project.org/mkin_static/mkinfit.html)
+or the package vignettes referenced from the
+[mkin package documentation page](http://kinfit.r-forge.r-project.org/mkin_static/index.html)
+
+## Credits
+
+`mkin` would not be possible without the underlying software stack consisting
+of R and the packages [deSolve](http://cran.r-project.org/package=deSolve),
+[minpack.lm](http://cran.r-project.org/package=minpack.lm) and
+[FME](http://cran.r-project.org/package=FME), to say the least.
+
+Also, it was inspired by the first version of KinGUI developed by
+BayerCropScience, which is based on the MatLab runtime environment.
+
+Bayer has developed a successor named KinGUII whose R code is based on `mkin`, but which
+added, amongst other refinements, a closed source graphical user interface
+(GUI), iteratively reweighted least squares (IRLS) optimisation of the variance
+for each of the observed variables, and Markov Chain Monte Carlo (MCMC)
+simulation functionality, similar to what is available e.g. in the `FME`
+package.
+
+Syngenta has sponsored the development of an `mkin` (and KinGUII?) based GUI
+application called CAKE, which adds IRLS and MCMC, is more limited in the model
+formulation, but puts more weight on usability. CAKE is available for download
+from the [CAKE website](http://projects.tessella.com/cake), where you can also
+find a zip archive of the R scripts derived from `mkin`, published under the GPL
+license.
+
+Finally, I just (2013-11-11) noticed the github repositories
+[StudyKin](http://github.com/zhenglei-gao/StudyKin) and
+[KineticEval](http://github.com/zhenglei-gao/KineticEval), the latter of which appears to be
+actively developed.

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