mkin/tests, branch v0.9.49.5 Fitting kinetic models to chemical degradation data (also on github) https://cgit.jrwb.de/mkin/atom?h=v0.9.49.5 2019-07-04T06:10:33Z Address failures of CRAN checks, improve NEWS 2019-07-04T06:10:33Z Johannes Ranke jranke@uni-bremen.de 2019-07-04T06:10:33Z urn:sha1:7e8d788d298b8e1492fd8f62d88456e99e0f5992 Static documentation rebuilt by pkgdown Skip a test on CRAN/winbuilder 2019-07-03T15:40:27Z Johannes Ranke jranke@uni-bremen.de 2019-07-03T15:40:27Z urn:sha1:d004cfb133b2b38808a736916152b85c5df6568f The test uses multiple cores in order to complete within a reasonable time Add check and test logs 2019-07-03T15:04:11Z Johannes Ranke jranke@uni-bremen.de 2019-07-03T15:04:11Z urn:sha1:2fb8a479b9075681ab69063127f4e58a1f9b2052 Adapt tests to new algorithms and output 2019-06-05T13:45:31Z Johannes Ranke jranke@uni-bremen.de 2019-06-05T13:45:31Z urn:sha1:4b323789265213bd65165873e7efe5e45a579275 One of the tests exceeded the number of iterations when using the d_3 error model algorithm, so only use "direct" in this case. Fix a bug introduced in the last commit 2019-06-04T19:10:58Z Johannes Ranke jranke@uni-bremen.de 2019-06-04T19:10:58Z urn:sha1:307a317666b8a1cdfe2293371ad8671403680a36 Additional algorithm "d_c", more tests, docs 2019-06-04T13:09:28Z Johannes Ranke jranke@uni-bremen.de 2019-06-04T13:09:28Z urn:sha1:95178837d3f91e84837628446b5fd468179af2b9 The new algorithm tries direct optimization of the likelihood, as well as a three step procedure. In this way, we consistently get the model with the highest likelihood for SFO, DFOP and HS for all 12 new test datasets. Algorithms direct, two-, three-, fourstep, IRLS 2019-06-04T09:18:56Z Johannes Ranke jranke@uni-bremen.de 2019-06-04T09:15:52Z urn:sha1:9a96391589fef9f80f9c6c4881cc48a509cb75f2 All of them are working now and allow for comparison Based on SFO, DFOP and HS fits to twelve test datasets, only the combination of direct and threestep is needed to find the lowest AIC Status von Samstag morgen - untested 2019-06-03T05:56:44Z Johannes Ranke jranke@uni-bremen.de 2019-06-03T05:56:44Z urn:sha1:b6ea4f22fc1b6d1caea29f6b1e44774d14d6697c Fix a bug that could lead to wrong chi2 error levels 2019-05-23T17:19:27Z Johannes Ranke jranke@uni-bremen.de 2019-05-23T17:19:27Z urn:sha1:db472848915a8065347b8f81477a86928b89fbcf Add functionality to plot the error model 2019-05-08T18:57:48Z Johannes Ranke jranke@uni-bremen.de 2019-05-08T18:57:48Z urn:sha1:c6079a807e2b400fe0c772603392aeacd887da2f by plotting squared residuals against predicted values, and showing the variance function used in the fitted error model. Rebuild docs