mkin - Fitting kinetic models to chemical degradation data (also on github)

Age	Commit message (Collapse)	Author	Files	Lines
2022-03-07	Remove nlmixr interface for release of mkin 1.1.0	Johannes Ranke	1	-584/+0
	I am postponing my attempts to get the nlmixr interface to CRAN, given some problems with nlmixr using R-devel under Windows, see https://github.com/nlmixrdevelopment/nlmixr/issues/596 and https://github.com/r-hub/rhub/issues/512, which is fixed by the removal of nlmixr from the testsuite. For the tests to be more platform independent, the biphasic mixed effects models test dataset was defined in a way that fitting should be more robust (less ill-defined).
2022-03-02	Make tests more platform independent, update docs	Johannes Ranke	1	-2/+1

2022-03-02	Fix nlmixr fits with parallel metabolites	Johannes Ranke	1	-1/+29

2021-10-08	Round initial population values for nlmixr	Johannes Ranke	1	-3/+3
	This avoids numerical instabilities that sometimes occur with the FOCEI algorithm in nlmixr when the initial values are very close to the optimum values
2021-10-05	Fix nlmixr for logit transformed parameters	Johannes Ranke	1	-4/+11

2021-09-29	Reduce noise in nlmixr.mmkin output in examples	Johannes Ranke	1	-14/+25

2021-09-27	intervals() methods, more DFOP/tc variants	Johannes Ranke	1	-2/+2

2021-06-16	Translate formation fractions to nlmixr language	Johannes Ranke	1	-10/+69
	Works for the dimethenamid data, at least for FOCEI. Very little testing yet. The summary function does not yet handle the new transformations of formation fractions (that are in fact very old, as they were used in the very first version of mkin). The test file has no tests yet, just some code that may be used for testing.
2021-06-12	Small cosmetics	Johannes Ranke	1	-11/+9

2021-06-11	Finished 'summary.nlmixr.mmkin', checks, docs	Johannes Ranke	1	-7/+22

2021-06-09	Rudimentary support for setting up nlmixr models	Johannes Ranke	1	-0/+467
	- All degradation models are specified as ODE models. This appears to be fast enough - Error models are being translated to nlmixr as close to the mkin error model as possible. When using the 'saem' backend, it appears not to be possible to use the same error model for more than one observed variable - No support yet for models with parallel formation of metabolites, where the ilr transformation is used in mkin per default - There is a bug in nlmixr which appears to be triggered if the data are not balanced, see nlmixrdevelopment/nlmixr#530 - There is a print and a plot method, the summary method is not finished