Three experimental datasets from two water sediment systems and one soil

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The datasets were used for the comparative validation of several kinetic evaluation + software packages (Ranke, 2014).

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Usage

test_data_from_UBA_2014

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Format

A list containing three datasets as an R6 class defined by mkinds. + Each dataset has, among others, the following components

title: The name of the dataset, e.g. UBA_2014_WS_river
data: A data frame with the data in the form expected by mkinfit

Source

Ranke (2014) Prüfung und Validierung von Modellierungssoftware als Alternative + zu ModelMaker 4.0, Umweltbundesamt Projektnummer 27452

+ +

Examples

  # \dontrun{
+  # This is a level P-II evaluation of the dataset according to the FOCUS kinetics
+  # guidance. Due to the strong correlation of the parameter estimates, the
+  # covariance matrix is not returned. Note that level P-II evaluations are
+  # generally considered deprecated due to the frequent occurrence of such
+  # large parameter correlations, among other reasons (e.g. the adequacy of the
+  # model).
+  m_ws <- mkinmod(parent_w = mkinsub("SFO", "parent_s"),
+                  parent_s = mkinsub("SFO", "parent_w"))
+#> Temporary DLL for differentials generated and loaded
+  f_river <- mkinfit(m_ws, test_data_from_UBA_2014[[1]]$data, quiet = TRUE)
+#> Warning: Observations with value of zero were removed from the data
+  plot_sep(f_river)
+
+
+  summary(f_river)$bpar
+#>                           Estimate se_notrans    t value       Pr(>t)
+#> parent_w_0             95.98567441 2.16285684 44.3791159 1.245593e-17
+#> k_parent_w              0.42068803 0.05573864  7.5475120 8.752928e-07
+#> k_parent_s              0.07419672 0.10108562  0.7339987 2.371337e-01
+#> f_parent_w_to_parent_s  0.14336920 0.05809346  2.4679062 1.305295e-02
+#> f_parent_s_to_parent_w  1.00000000 3.13868615  0.3186046 3.772097e-01
+#> sigma                   2.98287858 0.68923267  4.3278253 2.987160e-04
+#>                              Lower       Upper
+#> parent_w_0             91.48420501 100.4871438
+#> k_parent_w              0.36593946   0.4836276
+#> k_parent_s              0.02289956   0.2404043
+#> f_parent_w_to_parent_s  0.08180934   0.2391848
+#> f_parent_s_to_parent_w  0.00000000   1.0000000
+#> sigma                   2.00184022   3.9639169
+  mkinerrmin(f_river)
+#>             err.min n.optim df
+#> All data 0.09246946       5  6
+#> parent_w 0.06377096       3  3
+#> parent_s 0.20882325       2  3
+
+  # This is the evaluation used for the validation of software packages
+  # in the expertise from 2014
+  m_soil <- mkinmod(parent = mkinsub("SFO", c("M1", "M2")),
+                    M1 = mkinsub("SFO", "M3"),
+                    M2 = mkinsub("SFO", "M3"),
+                    M3 = mkinsub("SFO"),
+                    use_of_ff = "max")
+#> Temporary DLL for differentials generated and loaded
+
+  f_soil <- mkinfit(m_soil, test_data_from_UBA_2014[[3]]$data, quiet = TRUE)
+#> Warning: Observations with value of zero were removed from the data
+  plot_sep(f_soil, lpos = c("topright", "topright", "topright", "bottomright"))
+
+  summary(f_soil)$bpar
+#>                   Estimate  se_notrans    t value       Pr(>t)        Lower
+#> parent_0       76.55425650 0.859186398 89.1008711 1.113861e-26 74.755959420
+#> k_parent        0.12081956 0.004601918 26.2541722 1.077359e-16  0.111561575
+#> k_M1            0.84258615 0.806159719  1.0451851 1.545266e-01  0.113779564
+#> k_M2            0.04210880 0.017083034  2.4649483 1.170188e-02  0.018013857
+#> k_M3            0.01122918 0.007245855  1.5497385 6.885051e-02  0.002909431
+#> f_parent_to_M1  0.32240200 0.240783878  1.3389684 9.819070e-02           NA
+#> f_parent_to_M2  0.16099855 0.033691952  4.7785463 6.531136e-05           NA
+#> f_M1_to_M3      0.27921507 0.269423709  1.0363419 1.565266e-01  0.022978202
+#> f_M2_to_M3      0.55641252 0.595119937  0.9349586 1.807707e-01  0.008002509
+#> sigma           1.14005399 0.149696423  7.6157731 1.727024e-07  0.826735778
+#>                      Upper
+#> parent_0       78.35255358
+#> k_parent        0.13084582
+#> k_M1            6.23970946
+#> k_M2            0.09843260
+#> k_M3            0.04333992
+#> f_parent_to_M1          NA
+#> f_parent_to_M2          NA
+#> f_M1_to_M3      0.86450778
+#> f_M2_to_M3      0.99489895
+#> sigma           1.45337221
+  mkinerrmin(f_soil)
+#>             err.min n.optim df
+#> All data 0.09649963       9 20
+#> parent   0.04721283       2  6
+#> M1       0.26551208       2  5
+#> M2       0.20327575       2  5
+#> M3       0.05196550       3  4
+  # }
+