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2021-09-15Correction of the dimethenamid datasetJohannes Ranke1-0/+0
The data given in previous mkin versions for "Borstel 2" (Staudenmaier 2013) are in fact a subset of the "Borstel 1" data, with the "Borstel 2" data simply being further analysed for isomer composition by Staudenmaier (2013). While correcting this, the URL of the RAR published by EFSA was updated, as the EFSA Register of Questions was replaced by the Open EFSA portal. This also affects the recent publication in "Environments" [1], where these two datasets were pooled. However, the influence on the final results can be expected to be minimal. Out of the 16 observations for the Borstel soil, five were erroneously duplicated which just changes the weight of the different sampling points and modifies the variance. The conclusions of the publication are qualitative and are not considered to be affected. [1] https://doi.org/10.3390/environments8080071
2020-12-19Dimethenamid data, normalisation optionsJohannes Ranke2-0/+0
2020-11-13Fixes for f_time_norm_focus, still very fragile...Johannes Ranke1-0/+0
2020-11-12Use preprocessed data for 2,4-D, update docsJohannes Ranke1-0/+0
2020-11-12mkindsg class to hold groups of datasetsJohannes Ranke2-0/+0
- D24_2014 dataset on aerobic soil degradation of 2,4-D from the EU assessment as mkindsg object with metadata - f_time_norm_focus() to do time-step normalisation using the FOCUS method - focus_soil_moisture data with default moisture contents at pF1, pF 2 and pF 2.5 for USDA soil types from FOCUS GW guidance - Dataset generation scripts in inst/dataset_generation - Depend on R >= 2.15.1 in order to facilitate the use of utils::globalVariables()
2019-06-04Additional algorithm "d_c", more tests, docsJohannes Ranke1-0/+0
The new algorithm tries direct optimization of the likelihood, as well as a three step procedure. In this way, we consistently get the model with the highest likelihood for SFO, DFOP and HS for all 12 new test datasets.
2019-05-31Experimental data for finding error model algorithmJohannes Ranke1-0/+0
2019-02-26NAFTA SOP Attachment vignetteJohannes Ranke1-0/+0
Also: - Change rounding in print.nafta - Add dots argument to nafta() - Use cores=1 in examples - Restrict N in IORE model to values > 0
2019-02-26Add another NAFTA dataset + testJohannes Ranke2-0/+0
2019-02-22Implement the NAFTA evaluation schemeJohannes Ranke1-0/+0
2018-01-05Convert synthetic_data_for_UBA_2014 to mkindsJohannes Ranke2-0/+0
Static documentation except articles rebuilt by pkgdown
2018-01-05Experimental test data from UBA 2014 expertiseJohannes Ranke1-0/+0
- Typo in synthetic data for UBA - Static documentation except articles rebuilt by pkgdown
2015-05-15Add synthetic data generated for UBA expertise, testsJohannes Ranke1-0/+0
The new tests are based on the results documented in the expertise I wrote for the UBA (currently unpublished).
2014-05-07Fork the GUI into package gmkin. See ChangeLog for detailsJohannes Ranke2-0/+0
2014-04-30Update of FOCUS 2006 Z workspace with current mkinfitJohannes Ranke1-0/+0
2014-04-29Reformat McCall data to have one Rd file per objectJohannes Ranke2-0/+0
2014-04-28Revert to percent sign "%" in FOCUS 2006 dataJohannes Ranke1-0/+0
2014-04-28Fix the name of the R objectJohannes Ranke1-0/+0
2014-04-28Avoid percent sign and add a fit to avoid errorsJohannes Ranke1-0/+0
2014-04-25McCall 2,4,5-T dataset, lower bound for transform_rates=FALSEJohannes Ranke1-0/+0
2014-02-27Format of gmkin workspace files, copyright, updatesJohannes Ranke2-0/+0
- Change the format of the workspace files of gmkin so they can be distributed in the mkin package - Add gmkin workspace datasets FOCUS_2006_gmkin and FOCUS_2006_Z_gmkin - Restrict the unit test with the Schaefer data to parent and primary metabolites as formation fraction and DT50 for A2 are higly correlated and passing the test is platform dependent. For example, the test fails in 1 out of 14 platforms on CRAN as of today - Add Eurofins Regulatory AG copyright notices - Import FME and deSolve instead of depending on them to have cleaner startup
2012-04-24- Added the reference fit data for FOCUS 2006 datasets from the kinfit packagejranke4-0/+0
- Used these data in unit tests for parent only models - Fixed SFORB data and calculation of formation fractions along the way - Reintroduced the test for the Schaefer 2007 data - Got rid of the mkinmod unit tests - they are too hard to maintain and the mkinfit tests test the model definitions as well git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@32 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2010-05-31- Added a test based on the KinGUI paper "complex case"jranke1-0/+0
- Fix the DT50 calculation for the SFORB model - Added a bit more of a description git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@11 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2010-05-20Various improvements, the most prominent being the addition of the jranke1-0/+0
test dataset from the original KinGUI Piacenza paper. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@10 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2010-05-11Initial upload of the upcoming multicompartment version of kinfit.jranke1-0/+0
Some functionality is still missing (chi2), some may never be implemented (FOMC model), but in general it is much more powerful than kinfit, owing to the powerful FME package. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@8 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

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