mkin/R/create_deg_func.R, branch v1.0.3 Fitting kinetic models to chemical degradation data (also on github) https://erac.jrwb.de/mkin/atom?h=v1.0.3 2020-11-20T18:42:33Z export create_deg_func 2020-11-20T18:42:33Z Johannes Ranke jranke@uni-bremen.de 2020-11-20T18:42:33Z urn:sha1:3ded5c1c45d9dbd64d3d40835e68e8cf47932346 Add analytical solution for DFOP-SFO 2020-05-11T13:20:53Z Johannes Ranke jranke@uni-bremen.de 2020-05-11T13:00:25Z urn:sha1:6308e7d7898d4f064d321d97d162c6752c22b362 This is about twice as fast as deSolve compiled in the case of FOCUS D Analytical solutions for all SFO variants 2020-05-11T11:43:40Z Johannes Ranke jranke@uni-bremen.de 2020-05-11T11:43:40Z urn:sha1:b36ae3d710858ee3ff2907eb2d780e0dff48a4f3 Default to analytical for coupled models if available 2020-05-10T19:53:00Z Johannes Ranke jranke@uni-bremen.de 2020-05-10T19:53:00Z urn:sha1:d113cd79b178fdc91aecb894707ed356129dfb75 This revealed that transforming rates is necessary for fitting the analytical solution of the SFO-SFO model to the FOCUS D dataset. Benchmarks show that fitting coupled models with deSolve got a bit slower through the latest changes Avoid the call to merge for analytical solutions 2020-05-09T19:18:42Z Johannes Ranke jranke@uni-bremen.de 2020-05-09T19:18:42Z urn:sha1:efab37957381919c21d874906ce870f4941c760a This increases performance up to a factor of five! Analytical SFO_SFO about as fast as deSolve compiled 2020-05-07T23:16:03Z Johannes Ranke jranke@uni-bremen.de 2020-05-07T23:16:03Z urn:sha1:09104e678154881762199b8ba19d7683fac9155f Another overhaul of analytical solutions 2020-05-07T20:14:19Z Johannes Ranke jranke@uni-bremen.de 2020-05-07T20:13:33Z urn:sha1:92bd33824bde6b6b21bfc7e30953092a74d3cce5 Still in preparation for analytical solutions of coupled models