From 1519d761ebb8c10350402b294907102d960b15a2 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 28 Nov 2025 09:47:18 +0100 Subject: Add two-component error model to 2,4-D example Also, explain the names of the metabolites. --- docs/reference/D24_2014-2.png | Bin 0 -> 88203 bytes docs/reference/D24_2014.html | 36 ++++++++++++++++++++++++++++++++---- 2 files changed, 32 insertions(+), 4 deletions(-) create mode 100644 docs/reference/D24_2014-2.png (limited to 'docs/reference') diff --git a/docs/reference/D24_2014-2.png b/docs/reference/D24_2014-2.png new file mode 100644 index 00000000..316bfd3a Binary files /dev/null and b/docs/reference/D24_2014-2.png differ diff --git a/docs/reference/D24_2014.html b/docs/reference/D24_2014.html index fed830e6..a0b17969 100644 --- a/docs/reference/D24_2014.html +++ b/docs/reference/D24_2014.html @@ -97,7 +97,9 @@ https://open.efsa.europa.eu/study-inventory/EFSA-Q-2013-00811

Details

-

Data for the first dataset are from p. 685. Data for the other four +

The acronyms used for the 2,4-D transformation products are DCP for +2,4-dichlorophenol and DCA for 2,4-dichloroanisole.

+

Data for the first dataset are from p. 685. Data for the other four datasets were used in the preprocessed versions given in the kinetics section (p. 761ff.), with the exception of residues smaller than 1 for DCP in the soil from Site I2, where the values given on p. 694 were used.

@@ -195,13 +197,13 @@ specific pieces of information in the comments.

#> d_DCA/dt = + f_DCP_to_DCA * k_DCP * DCP - k_DCA * DCA D24_2014_data <- lapply(D24_2014$ds, function(x) x$data) names(D24_2014_data) <- sapply(D24_2014$ds, function(x) x$title) -f_D24_2014 <- mmkin( +f_D24_2014_const <- mmkin( models = list( "SFO-SFO-SFO" = m_D24, "DFOP-SFO-SFO" = m_D24_2), data = D24_2014_data, quiet = TRUE) -print(f_D24_2014) +print(f_D24_2014_const) #> <mmkin> object #> Status of individual fits: #> @@ -212,8 +214,34 @@ specific pieces of information in the comments.

#> #> Z: Observations with value of zero were removed from the data #> OK: No warnings -plot(f_D24_2014[, 3]) +plot(f_D24_2014_const[, 3]) +f_D24_2014_tc <- update(f_D24_2014_const, error_model = "tc") +print(f_D24_2014_tc) +#> <mmkin> object +#> Status of individual fits: +#> +#> dataset +#> model Mississippi Fayette RefSol 03-G Site E1 Site I2 +#> SFO-SFO-SFO OK Z Z Z Z +#> DFOP-SFO-SFO OK Z Z Z Z +#> +#> Z: Observations with value of zero were removed from the data +#> OK: No warnings +plot(f_D24_2014_tc[, 3]) + +# For dataset 3, the best fit is obtained using constant +# variance and the DFOP-SFO-SFO model +AIC( + f_D24_2014_const[["SFO-SFO-SFO", 3]], + f_D24_2014_const[["DFOP-SFO-SFO", 3]], + f_D24_2014_tc[["SFO-SFO-SFO", 3]], + f_D24_2014_tc[["DFOP-SFO-SFO", 3]]) +#> df AIC +#> f_D24_2014_const[["SFO-SFO-SFO", 3]] 7 220.4991 +#> f_D24_2014_const[["DFOP-SFO-SFO", 3]] 9 179.8933 +#> f_D24_2014_tc[["SFO-SFO-SFO", 3]] 8 200.7663 +#> f_D24_2014_tc[["DFOP-SFO-SFO", 3]] 10 181.8933 # }
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