mkin/NAMESPACE, branch v0.9.50.3 Fitting kinetic models to chemical degradation data (also on github) https://cgit.jrwb.de/mkin/atom?h=v0.9.50.3 2020-10-08T07:31:35Z Fix issues for release 2020-10-08T07:31:35Z Johannes Ranke jranke@uni-bremen.de 2020-10-08T07:31:35Z urn:sha1:bc3825ae2d12c18ea3d3caf17eb23c93fef180b8 Require upcoming nlme version, remove anova.nlme.mmkin 2020-07-20T19:02:28Z Johannes Ranke jranke@uni-bremen.de 2020-07-20T19:02:28Z urn:sha1:2f492ce2acf21610a7b15ce5d1878cf0f2ae5b4d The method is no longer necessary, now that Bug 17761 is fixed upstream https://bugs.r-project.org/bugzilla/show_bug.cgi?id=17761 Warn if standardized residuals are unlikely normal 2020-05-29T13:03:04Z Johannes Ranke jranke@uni-bremen.de 2020-05-29T13:03:04Z urn:sha1:510436646b1bdd5b8cfab70be29334bd3cc9c828 This revealed a bug in the data returned in mkinfit$data in the case of the d_3 algorithm, which also affected the residual plot - the data from the direct fitting was not returned even if this was the better method. Use all cores per default, confint tolerance 2020-05-26T16:52:01Z Johannes Ranke jranke@uni-bremen.de 2020-05-26T16:38:51Z urn:sha1:675a733fa2acc08daabb9b8b571c7d658f281f73 Also, use more intelligent starting values for the variance of the random effects for saemix. While this does not appear to speed up the convergence, it shows where this variance is greatly reduced by using mixed-effects models as opposed to the separate independent fits. Tell travis where to find the required saemix version 2020-05-25T12:21:04Z Johannes Ranke jranke@uni-bremen.de 2020-05-25T12:21:04Z urn:sha1:e22a68e1c92e4494e2d695421f40d099dbd070f2 First working version of saemix helper functions 2020-05-25T11:01:23Z Johannes Ranke jranke@uni-bremen.de 2020-05-25T11:01:23Z urn:sha1:9f9336d59e68690472888bfdeb12944176d7d272 saemix_data depends on a development version of saemix, see pull request saemixdevelopment/saemixextension#2 Add a parms method for mmkin objects 2020-05-14T16:39:29Z Johannes Ranke jranke@uni-bremen.de 2020-05-14T16:39:29Z urn:sha1:808a679efb69ec6603db6642687d9e8ceb3b3453 Fix NOTE, prepare for release 2020-04-17T23:06:22Z Johannes Ranke jranke@uni-bremen.de 2020-04-17T23:06:22Z urn:sha1:fe0601aa4c729466e9c4d3219aa6cf1bf0f96955 Avoid assignment to .GlobalEnv for CRAN 2020-04-17T22:38:26Z Johannes Ranke jranke@uni-bremen.de 2020-04-17T22:38:26Z urn:sha1:518a801a9a0f1aef36df1f201b6a3f0f3a84b779 Include random effects in starting parameters 2020-04-15T17:00:06Z Johannes Ranke jranke@uni-bremen.de 2020-04-15T16:13:04Z urn:sha1:42171ba55222383a0d47e5aacd46a972819e7812 - mean_degparms() now optionally returns starting values for fixed and random effects, which makes it possible to obtain acceptable fits also in more difficult cases (with more parameters) - Fix the anova method, as it is currently not enough to inherit from lme: https://bugs.r-project.org/bugzilla/show_bug.cgi?id=17761 - Show fit information, and per default also errmin information in plot.nlme.mmkin() - Examples for nlme.mmkin: Decrease tolerance and increase the number of iterations in the PNLS step in order to be able to fit FOMC-SFO and DFOP-SFO