From 7a1d3d031aa23fce723ac4f4c8e4bb5d64959447 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 4 Apr 2019 15:42:23 +0200 Subject: Direct error model fitting works - 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 --- DESCRIPTION | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) (limited to 'DESCRIPTION') diff --git a/DESCRIPTION b/DESCRIPTION index c6746eb7..527d79d1 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,8 +1,8 @@ Package: mkin Type: Package Title: Kinetic Evaluation of Chemical Degradation Data -Version: 0.9.48.1 -Date: 2019-03-04 +Version: 0.9.49.1 +Date: 2019-04-04 Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"), email = "jranke@uni-bremen.de", comment = c(ORCID = "0000-0003-4371-6538")), @@ -17,8 +17,8 @@ Description: Calculation routines based on the FOCUS Kinetics Report (2006, equation models are solved using compiled C functions. Please note that no warranty is implied for correctness of results or fitness for a particular purpose. -Imports: stats, graphics, methods, FME, deSolve, R6, minpack.lm, rootSolve, - inline, parallel, plyr +Imports: stats, graphics, methods, deSolve, R6, inline, parallel, plyr, + numDeriv Suggests: knitr, rbenchmark, tikzDevice, testthat, rmarkdown, covr, vdiffr License: GPL LazyLoad: yes -- cgit v1.2.1