mkin/NEWS.md, branch v0.9.50.3 Fitting kinetic models to chemical degradation data (also on github) https://erac.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 Avoid dep on dev version of saemix for release 2020-10-08T06:11:37Z Johannes Ranke jranke@uni-bremen.de 2020-10-08T06:11:37Z urn:sha1:c7635af214729d2dc15dd8fbee2ebe6bc64493a4 Back-calculated DT50 values for biphasic models 2020-09-01T06:05:43Z Johannes Ranke jranke@uni-bremen.de 2020-09-01T06:05:43Z urn:sha1:6fbb2341f998b322f21fe4e7cd655e0ca61cdbe4 mkinfit: Ignore unused components of state.ini 2020-07-17T14:27:46Z Johannes Ranke jranke@uni-bremen.de 2020-07-17T14:27:46Z urn:sha1:a7e209b553e2e99ffc9aa2b003f9b73b9ac4b985 Improve handling of (partially) failing fits 2020-07-15T10:30:39Z Johannes Ranke jranke@uni-bremen.de 2020-07-15T10:30:39Z urn:sha1:9f8e1eb33b586beb7e889212bdababa081b6ff67 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_of_ff = "max" for shorthand models like "SFO" 2020-05-28T10:24:32Z Johannes Ranke jranke@uni-bremen.de 2020-05-28T10:24:32Z urn:sha1:609bfe2fd7ecbdcad5f5d641f0db51541dcd6a4e 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. 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