Fitting kinetic models to chemical degradation data (also on github) https://cgit.jrwb.de/mkin/atom?h=v1.2.6 2020-04-22T12:37:27Z 2020-04-22T12:37:27Z Johannes Ranke jranke@uni-bremen.de 2020-04-22T12:37:27Z urn:sha1:f6b6ecd0f925799aaced3fb5ceb9e5817a99d884 2019-10-21T13:31:59Z Johannes Ranke jranke@uni-bremen.de 2019-10-21T13:31:59Z urn:sha1:41a2a356bd9b61c90c04b47aee147bf837223028 2019-10-21T10:11:34Z Johannes Ranke jranke@uni-bremen.de 2019-10-21T10:11:34Z urn:sha1:7624a2b8398b4ad665a3b0b622488e1893a5ee7c mkinfit objects now include an ll() function to calculate the log-likelihood. Part of the code was refactored, hopefully making it easier to read and maintain. IRLS is currently the default algorithm for the error model "obs", for no particular reason. This may be subject to change when I get around to investigate. Slow tests are now in a separate subdirectory and will probably only be run by my own Makefile target. Formatting of test logs is improved. Roundtripping error model parameters works with a precision of 10% when we use lots of replicates in the synthetic data (see slow tests). This is not new in this commit, but as I think it is reasonable this closes #7.