mkin/log, branch v1.2.0 Fitting kinetic models to chemical degradation data (also on github) https://cgit.jrwb.de/mkin/atom?h=v1.2.0 2022-11-16T21:44:34Z Reduce testing on CRAN servers 2022-11-16T21:44:34Z Johannes Ranke jranke@uni-bremen.de 2022-11-16T21:44:34Z urn:sha1:90354f5cd9e095f9ef98424689a2716770b248d4 Update DESCRIPTION and NEWS, check and test 2022-11-16T13:51:17Z Johannes Ranke jranke@uni-bremen.de 2022-11-16T13:51:17Z urn:sha1:78d421dc463dbfb993e372073c8de406d1f45da7 Address platform dependence that surfaced on winbuilder 2022-11-16T12:52:08Z Johannes Ranke jranke@uni-bremen.de 2022-11-16T12:50:54Z urn:sha1:5889cd78376e244f38e6c5acba8ffbc46e18f803 Import saemix for easier profiling, update online docs 2022-11-15T07:01:52Z Johannes Ranke jranke@uni-bremen.de 2022-11-15T07:01:52Z urn:sha1:679cf716192cdfd91dfd232578cbd4e30d7eac12 Automatic starting parameters for saem.mmkin 2022-11-14T19:03:42Z Johannes Ranke jranke@uni-bremen.de 2022-11-14T19:03:42Z urn:sha1:21ad91256dc29423bd905de5c298fd23862b1f3b For the case of mkin transformations. This gives faster convergence, and appears to avoid problems with numeric ODE solutions Show DFOP g equivalent of SFORB in summary, test 2022-11-08T07:46:57Z Johannes Ranke jranke@uni-bremen.de 2022-11-08T07:46:57Z urn:sha1:56415f3c0638725aaa77db2c02eeaf9d4983452b Simplify SFORB also in the endpoint function 2022-11-08T06:56:50Z Johannes Ranke jranke@uni-bremen.de 2022-11-08T06:56:50Z urn:sha1:7186006740aca909660e42dce8d92eb4735af533 Simplify SFORB analytical solution, whitespace 2022-11-08T06:33:39Z Johannes Ranke jranke@uni-bremen.de 2022-11-08T06:26:57Z urn:sha1:f9343a9f401dce52188fceec456865ba4f2eb95f I do not know why the formulae for b1 and b2 on page 64 of FOCUS kinetics (2014) were not simplified. Clearly, the term k12 * k21 - (k12 + k1output) * k21) can be simplified to - k1output * k21 The test for equivalence of DFOP and SFORB fits verifies that the change is OK. I also removed trailing whitespaces, substituted tab characters by two whitespaces and removed indenting of text in paragraphs describing parameters in roxygen comments to unify formatting. Attempt at automatic setting of random effects 2022-11-04T17:12:03Z Johannes Ranke jranke@uni-bremen.de 2022-11-04T17:12:03Z urn:sha1:9d013773edc0dc30a98c6218655726d3ad944e3f Based on parameters in the separate fits that fail the t-test. Never fail with errors in saem.mmkin 2022-11-04T06:48:04Z Johannes Ranke jranke@uni-bremen.de 2022-11-04T06:48:04Z urn:sha1:0389d523f049945c85eba42d4a006523595043f0 I think it is always preferable to be able to investigate the saemix object returned.