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| author | Johannes Ranke <jranke@uni-bremen.de> | 2019-07-04 13:04:38 +0200 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2019-07-04 13:04:38 +0200 |
| commit | eed28a846b6b6deb67e07fddf6e62d299a6547bb (patch) | |
| tree | c4fce23d8859110a3dc2699882076cb16980f3d4 /README.md | |
| parent | 7e8d788d298b8e1492fd8f62d88456e99e0f5992 (diff) | |
Update README and introductory vignette
Diffstat (limited to 'README.md')
| -rw-r--r-- | README.md | 20 |
1 files changed, 10 insertions, 10 deletions
@@ -2,7 +2,7 @@ [](https://cran.r-project.org/package=mkin) [](https://travis-ci.com/jranke/mkin) -[](https://codecov.io/github/jranke/mkin) +[](https://codecov.io/github/jranke/mkin) The R package **mkin** provides calculation routines for the analysis of chemical degradation data, including <b>m</b>ulticompartment <b>kin</b>etics as @@ -86,17 +86,17 @@ and at [R-Forge](http://kinfit.r-forge.r-project.org/mkin_static/index.html). approximately reproduce the fit with other tools. * The chi-squared error level as defined in the FOCUS kinetics guidance (see below) is calculated for each observed variable. -* Iteratively reweighted least squares fitting is implemented in a similar way - as in KinGUII and CAKE (see below). Simply add the argument - `reweight.method = "obs"` to your call to `mkinfit` and a separate variance - componenent for each of the observed variables will be optimised - in a second stage after the primary optimisation algorithm has converged. -* Iterative reweighting is also possible using a two-component error model - for analytical data similar to the one proposed by - [Rocke and Lorenzato](https://pkgdown.jrwb.de/mkin/reference/sigma_twocomp.html) - using the argument `reweight.method = "tc"`. * When a metabolite decline phase is not described well by SFO kinetics, SFORB kinetics can be used for the metabolite. +* 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"`. +* 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"`. ## GUI |