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2019-02-22Implement the NAFTA evaluation schemeJohannes Ranke1-1/+3
2019-02-21Add the logistic modelJohannes Ranke1-1/+3
2019-01-31Correct title for CAKE_exportJohannes Ranke1-1/+3
Add NEWS entry. Static documentation rebuilt by pkgdown
2018-11-26Add AIC method for mmkin column objectsJohannes Ranke1-1/+3
Static documentation rebuilt by pkgdown
2018-11-26Support logLik and AIC for manual weightsJohannes Ranke1-1/+3
Static documentation rebuilt by pkgdown
2018-09-21Improve fitting the two-component error modelJohannes Ranke1-1/+5
with respect to accuracy and robustness.
2018-09-18Make mkinpredict generic and write a method for fitsJohannes Ranke1-0/+2
2018-09-18Support maximum twa for HS, test, docsJohannes Ranke1-1/+3
2018-09-15Respect reps argument in add_errJohannes Ranke1-0/+4
2018-09-14Skip more tests on CRANv0.9.47.5Johannes Ranke1-2/+0
Static documentation rebuilt by pkgdown
2018-09-14Update NEWSJohannes Ranke1-2/+8
Static documentation rebuilt by pkgdown
2018-09-14Exclude more example code from CRAN checksJohannes Ranke1-2/+6
to avoid NOTES about long execution times. Static documentation rebuilt by pkgdown with run_dont_run = TRUE
2018-09-13Enable new error model in gmkinJohannes Ranke1-0/+6
Also improve the irls fitting of the error model and add a test for FOCUS_2006_C where the second component of the error model is zero
2018-09-06TypoJohannes Ranke1-1/+1
2018-09-06Fixed publication date in NEWS, docs rebuiltJohannes Ranke1-1/+1
2018-09-06Add release date of 0.9.47.2 to NEWS fileJohannes Ranke1-1/+1
2018-07-18Correct references to the Rocke and Lorenzato modelJohannes Ranke1-0/+2
Rename 'sigma_rl' to 'sigma_twocomp' as the Rocke and Lorenzato model assumes lognormal distribution for large y. Rebuild static documentation.
2018-07-04Improve IORE fitting, use 1.1 as N starting valueJohannes Ranke1-0/+4
2018-03-12Fix date in latest NEWS entryJohannes Ranke1-1/+1
2018-02-06Skip some tests on CRAN, more quiet examplesv0.9.47.1Johannes Ranke1-0/+2
2018-02-06Prepare releaseJohannes Ranke1-1/+1
Static documentation except articles rebuilt by pkgdown
2018-02-02mkinfit: Work around a bug in the current FME versionJohannes Ranke1-0/+2
that prevented the convergence message to be returned in the case of non-convergence.
2018-02-02Show R and mkin version used for fitting in the summaryJohannes Ranke1-1/+3
For fits generated with previous version, the version numbers used for fitting were not stored in the fit object. Therefore, the versions used for fitting can only be shown for fits generated with mkin containing this commit.
2018-01-30Reweighting with two-component error modelJohannes Ranke1-0/+8
Static documentation except articles rebuilt by pkgdown
2017-11-16Update URLS in mkin vignetteJohannes Ranke1-0/+2
Static documentation except articles rebuilt by pkgdown
2017-11-16Add the code used for generating synthetic_data_for_UBAJohannes Ranke1-0/+4
Static documentation except articles rebuilt by pkgdown
2017-10-10Add release dateJohannes Ranke1-1/+1
2017-10-10Add ORCID to DESCRIPTION, released versionv0.9.46.2Johannes Ranke1-0/+2
Static documentation except articles rebuilt by pkgdown
2017-09-14Convert FOCUS Z vignette to rmarkdown/htmlJohannes Ranke1-0/+4
- Static documentation rebuilt by pkgdown::build_articles() - DESCRIPTION: Version bump and current date
2017-09-14Update NEWS, static documentation except articles rebuilt by pkgdownv0.9.46.1Johannes Ranke1-0/+8
2017-07-29Bump version, update NEWS and rebuild pkdown docsv0.9.46Johannes Ranke1-0/+14
2016-12-21TWA calculation for SFO, FOMC and DFOP (parent)Johannes Ranke1-0/+6
2016-12-08Prepare for releaseJohannes Ranke1-1/+5
2016-10-06Static documentation rebuilt by pkgdown::build_site()Johannes Ranke1-54/+52
2016-09-10Plot using R model if compiled model is not availableJohannes Ranke1-0/+6
2016-09-10Forgot to include the latest NEWS entry in 0.9.44Johannes Ranke1-0/+6
2016-06-28Update NEWSJohannes Ranke1-2/+2
2016-06-28Convenience wrapper plot_sep, further vignette updatesJohannes Ranke1-0/+2
2016-06-27Complete mkin vignette, update FOCUS L vignetteJohannes Ranke1-1/+1
The mkin vignette now describes how confidence intervals and the t-test are calculated. The FOCUS L vignette is updated with the new floating toc provided by the current rmarkdown package, and also uses current, improved mkin functionality.
2016-06-27Improve listing of weights in output, update NEWSJohannes Ranke1-1/+7
2016-06-25Now the old behaviour is restored for compatibility reasonsJohannes Ranke1-3/+1
When observed variables are not shown in separate plots, the residual plot is shown in the lower third of the total plotting area
2016-06-25Working state, but not backwards compatibleJohannes Ranke1-1/+7
In this commit, the separatation of plots for observed variables works. The formatting should be improved. However, in gmkin, plotting with show_residuals = TRUE is used, and the GUI expects that the residual plot is below the main plot. This behaviour should be restored.
2016-06-24Convert main vignette to Rmd/html, add_err(), fixesJohannes Ranke1-4/+10
2016-06-17Change the title of the package, small bugfixJohannes Ranke1-0/+4
2016-06-09Fix a bug in the listing of formation fractionsJohannes Ranke1-0/+4
The bug could only occur if a parent compound with a metabolite would end in the letter 'f' and was therefore not noticed earlier
2016-04-21Avoid unnecessary stop in edge case, improve warningsJohannes Ranke1-2/+10
mkinfit: Do not error out in cases where the fit converges, but the Jacobian for the untransformed model cost can not be estimated. Give a warning instead and return NA for the t-test results. summary.mkinfit: Give a warning message when the covariance matrix can not be obtained. A test has been added to containing such an edge case to check that the warnings are correctly issued and the fit does not terminate.
2016-03-25Remove outdated reference to the inline packageJohannes Ranke1-0/+6
2016-03-23Added 'from_max_mean' to 'mkinfit'.Johannes Ranke1-1/+5
- Now it is easier to do decline kinetics from the maximum occurrence - Static documentation rebuilt by staticdocs::build_site() - Fixed an URL in the README, thanks to the win-builder check with R-devel
2015-12-10Improve print method for mkinmodJohannes Ranke1-0/+2
2015-12-09Improve mkinmod error message for missing target compartment definitionJohannes Ranke1-0/+2
Closes #6.

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