mkin/R, 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 2019-06-05T13:16:59Z Add error model algorithm to output 2019-06-05T13:16:59Z Johannes Ranke jranke@uni-bremen.de 2019-06-05T13:16:59Z urn:sha1:b6027bbd157734e1c7f8c3ba6373451f5c85fc38 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 For the d_3 algorithm, report which was better, if any 2019-06-04T17:46:55Z Johannes Ranke jranke@uni-bremen.de 2019-06-04T17:46:55Z urn:sha1:2bc4adb7080e5893ab423768fe2e24777b292f19 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 Only use colors for error model "obs" 2019-05-20T12:11:51Z Johannes Ranke jranke@uni-bremen.de 2019-05-20T12:11:51Z urn:sha1:203364b072697ac154b25569bd9c1a7ba487c9d5 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 Fix hessian calculations 2019-05-07T06:43:12Z Johannes Ranke jranke@uni-bremen.de 2019-05-07T06:43:12Z urn:sha1:c322a8102a399cbb1fe38c4c4ca4485cea8bc4e8 Static documentation rebuilt by pkgdown