mkin/NAMESPACE, branch v0.9.49.5Fitting kinetic models to chemical degradation data (also on github)https://cgit.jrwb.de/mkin/atom?h=v0.9.49.52019-04-04T15:21:13ZDirect error model fitting works2019-04-04T15:21:13ZJohannes Rankejranke@uni-bremen.de2019-04-04T13:42:23Zurn:sha1:7a1d3d031aa23fce723ac4f4c8e4bb5d64959447
- No IRLS required
- Removed optimization algorithms other than Port
- Removed the dependency on FME
- Fitting the error model 'obs' is much faster for the FOCUS_2006_D
dataset and the FOMC_SFO model (1 second versus 3.4 seconds)
- Vignettes build slower. Compiled models needs 3 minutes instead of 1.5
- For other vignettes, the trend is less clear. Some fits are faster,
even for error_model = "const". FOCUS_Z is faster (34.9 s versus
44.1 s)
- Standard errors and confidence intervals are slightly smaller
- Removed code for plotting during the fit, as I hardly ever used it
- Merged the two cost functions (using transformed and untransformed
parameters) into one log-likelihood function
Implement the NAFTA evaluation scheme2019-02-22T19:51:13ZJohannes Rankejranke@uni-bremen.de2019-02-22T19:51:13Zurn:sha1:dd6c4a8f895fd470345e7ae773299daaa4de7aefRestore NAMESPACE2019-01-31T15:55:20ZJohannes Rankejranke@uni-bremen.de2019-01-31T15:55:20Zurn:sha1:3eefecf0adfbb30b8fb895c244dea6903bcb3e9c
which was accidentally overwritten by pkgdown -> roxygen
Static documentation rebuilt by pkgdown2019-01-31T14:40:09ZJohannes Rankejranke@uni-bremen.de2019-01-31T14:35:31Zurn:sha1:de040ca33f6b13ef89be89718510f30631b67903Export to CAKE study file2019-01-31T14:32:20ZJohannes Rankejranke@uni-bremen.de2019-01-31T14:32:20Zurn:sha1:47030f0342b66b1520b8a20844a0569d492d188eAdd AIC method for mmkin column objects2018-11-26T10:44:27ZJohannes Rankejranke@uni-bremen.de2018-11-26T10:44:27Zurn:sha1:fbfffc0e47171cac03797340fde697a75a5afd61
Static documentation rebuilt by pkgdown
Fix namespace declaration2018-11-23T19:45:04ZJohannes Rankejranke@uni-bremen.de2018-11-23T19:45:04Zurn:sha1:5df9ef5f76218938777033afd4ed3e893aac0356Static documentation rebuilt by pkgdown2018-11-23T19:01:28ZJohannes Rankejranke@uni-bremen.de2018-11-23T19:01:28Zurn:sha1:5f9645570d8308f48a492d48f38acd0d08f7d636Improve fitting the two-component error model2018-09-21T15:15:06ZJohannes Rankejranke@uni-bremen.de2018-09-21T15:15:06Zurn:sha1:b12e80a875d87f790d67a4e5a50d829060316a18
with respect to accuracy and robustness.
Make mkinpredict generic and write a method for fits2018-09-18T13:15:55ZJohannes Rankejranke@uni-bremen.de2018-09-18T13:15:55Zurn:sha1:850aa313ba60c7b784d96cfdc8d4c22f2beb661a