Package: mkin 1.2.9
mkin: Kinetic Evaluation of Chemical Degradation Data
Calculation routines based on the FOCUS Kinetics Report (2006, 2014). Includes a function for conveniently defining differential equation models, model solution based on eigenvalues if possible or using numerical solvers. If a C compiler (on windows: 'Rtools') is installed, differential equation models are solved using automatically generated C functions. Heteroscedasticity can be taken into account using variance by variable or two-component error models as described by Ranke and Meinecke (2018) <doi:10.3390/environments6120124>. Hierarchical degradation models can be fitted using nonlinear mixed-effects model packages as a back end as described by Ranke et al. (2021) <doi:10.3390/environments8080071>. Please note that no warranty is implied for correctness of results or fitness for a particular purpose.
Authors:
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mkin.pdf |mkin.html✨
mkin/json (API)
NEWS
# Install 'mkin' in R: |
install.packages('mkin', repos = c('https://jranke.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/jranke/mkin/issues
- D24_2014 - Aerobic soil degradation data on 2,4-D from the EU assessment in 2014
- FOCUS_2006_A - Datasets A to F from the FOCUS Kinetics report from 2006
- FOCUS_2006_B - Datasets A to F from the FOCUS Kinetics report from 2006
- FOCUS_2006_C - Datasets A to F from the FOCUS Kinetics report from 2006
- FOCUS_2006_D - Datasets A to F from the FOCUS Kinetics report from 2006
- FOCUS_2006_DFOP_ref_A_to_B - Results of fitting the DFOP model to Datasets A to B of FOCUS
- FOCUS_2006_E - Datasets A to F from the FOCUS Kinetics report from 2006
- FOCUS_2006_F - Datasets A to F from the FOCUS Kinetics report from 2006
- FOCUS_2006_FOMC_ref_A_to_F - Results of fitting the FOMC model to Datasets A to F of FOCUS
- FOCUS_2006_HS_ref_A_to_F - Results of fitting the HS model to Datasets A to F of FOCUS
- FOCUS_2006_SFO_ref_A_to_F - Results of fitting the SFO model to Datasets A to F of FOCUS
- NAFTA_SOP_Appendix_B - Example datasets from the NAFTA SOP published 2015
- NAFTA_SOP_Appendix_D - Example datasets from the NAFTA SOP published 2015
- NAFTA_SOP_Attachment - Example datasets from Attachment 1 to the NAFTA SOP published 2015
- dimethenamid_2018 - Aerobic soil degradation data on dimethenamid and dimethenamid-P from the EU assessment in 2018
- ds_dfop - Synthetic data for hierarchical kinetic degradation models
- ds_dfop_sfo - Synthetic data for hierarchical kinetic degradation models
- ds_fomc - Synthetic data for hierarchical kinetic degradation models
- ds_hs - Synthetic data for hierarchical kinetic degradation models
- ds_sfo - Synthetic data for hierarchical kinetic degradation models
- experimental_data_for_UBA_2019 - Experimental datasets used for development and testing of error models
- focus_soil_moisture - FOCUS default values for soil moisture contents at field capacity, MWHC and 1/3 bar
- mccall81_245T - Datasets on aerobic soil metabolism of 2,4,5-T in six soils
- schaefer07_complex_case - Metabolism data set used for checking the software quality of KinGUI
- schaefer07_complex_results - Metabolism data set used for checking the software quality of KinGUI
- synthetic_data_for_UBA_2014 - Synthetic datasets for one parent compound with two metabolites
- test_data_from_UBA_2014 - Three experimental datasets from two water sediment systems and one soil
degradationfocus-kineticskinetic-modelskineticsodeode-model
Last updated 29 days agofrom:7b14afbeaa. Checks:OK: 5 NOTE: 2. Indexed: yes.
Target | Result | Date |
---|---|---|
Doc / Vignettes | OK | Sep 06 2024 |
R-4.5-win | NOTE | Sep 06 2024 |
R-4.5-linux | NOTE | Sep 06 2024 |
R-4.4-win | OK | Sep 06 2024 |
R-4.4-mac | OK | Sep 06 2024 |
R-4.3-win | OK | Sep 06 2024 |
R-4.3-mac | OK | Sep 06 2024 |
Exports:add_errawbacktransform_odeparmsbestCAKE_exportcreate_deg_funcDFOP.solutionendpointsf_time_norm_focusFOMC.solutionget_deg_funchierarchical_kineticsHS.solutionhtml_listingillparmsilrintervalsinvilrIORE.solutionllhistloftestlogistic.solutionlrtestmax_twa_dfopmax_twa_fomcmax_twa_hsmax_twa_parentmax_twa_sfomean_degparmsmhmkinmixedmkin_long_to_widemkin_wide_to_longmkindsmkindsgmkinerrminmkinerrplotmkinfitmkinmodmkinparplotmkinplotmkinpredictmkinresplotmkinsubmmkinmultistartnaftanlmenlme_datanlme_functionparmsparplotplot_errplot_resplot_sepread_spreadsheetsaemsaemix_datasaemix_modelset_nd_nqset_nd_nq_focusSFO.solutionSFORB.solutionsigma_twocompstatussummary_listingtex_listingtransform_odeparmswhich.best
Dependencies:callrclicolorspacedescdeSolvefansifarverggplot2gluegridExtragtableinlineisobandlabelinglatticelifecyclelmtestmagrittrMASSMatrixmclustmgcvmunsellnlmenpdenumDerivpillarpkgbuildpkgconfigprocessxpsR6RColorBrewerrlangsaemixscalestibbleutf8vctrsviridisLitewithrzoo
Calculation of time weighted average concentrations with mkin
Rendered fromtwa.rmd
usingknitr::rmarkdown
on Sep 06 2024.Last update: 2021-02-15
Started: 2017-03-04
Example evaluation of FOCUS Example Dataset D
Rendered fromFOCUS_D.rmd
usingknitr::rmarkdown
on Sep 06 2024.Last update: 2021-02-15
Started: 2020-05-13
Example evaluation of FOCUS Laboratory Data L1 to L3
Rendered fromFOCUS_L.rmd
usingknitr::rmarkdown
on Sep 06 2024.Last update: 2023-05-19
Started: 2020-05-13
Short introduction to mkin
Rendered frommkin.rmd
usingknitr::rmarkdown
on Sep 06 2024.Last update: 2023-05-19
Started: 2020-05-13
Testing covariate modelling in hierarchical parent degradation kinetics with residue data on mesotrione
Rendered frommesotrione_parent_2023_prebuilt.rnw
usingutils::Sweave
on Sep 06 2024.Last update: 2023-08-04
Started: 2023-08-04
Testing hierarchical parent degradation kinetics with residue data on dimethenamid and dimethenamid-P
Rendered fromdmta_parent_2022_prebuilt.rnw
usingutils::Sweave
on Sep 06 2024.Last update: 2023-02-17
Started: 2023-02-13
Testing hierarchical pathway kinetics with residue data on dimethenamid and dimethenamid-P
Rendered fromdmta_pathway_2022_prebuilt.rnw
usingutils::Sweave
on Sep 06 2024.Last update: 2023-02-17
Started: 2023-02-13