From af7c6de4db9981ac814362c441fbac22c8faa2d7 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 24 Nov 2022 09:02:26 +0100 Subject: Start online docs of the development version --- docs/dev/reference/test_data_from_UBA_2014.html | 292 ++++++++++-------------- 1 file changed, 125 insertions(+), 167 deletions(-) (limited to 'docs/dev/reference/test_data_from_UBA_2014.html') diff --git a/docs/dev/reference/test_data_from_UBA_2014.html b/docs/dev/reference/test_data_from_UBA_2014.html index 539b8287..05529e0e 100644 --- a/docs/dev/reference/test_data_from_UBA_2014.html +++ b/docs/dev/reference/test_data_from_UBA_2014.html @@ -1,68 +1,13 @@ - - - - - - - -Three experimental datasets from two water sediment systems and one soil — test_data_from_UBA_2014 • mkin - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -Three experimental datasets from two water sediment systems and one soil — test_data_from_UBA_2014 • mkin - - - - + + -
-
- -
- -
+
-
test_data_from_UBA_2014
+
+
test_data_from_UBA_2014
+
+
+

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

-

Format

+
data
+

A data frame with the data in the form expected by mkinfit

-

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

- +
+
+

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 -
#> Warning: Could not calculate correlation; no covariance matrix
#> Estimate se_notrans t value Pr(>t) Lower Upper -#> parent_w_0 95.91998118 NA NA NA NA NA -#> k_parent_w 0.41145375 NA NA NA NA NA -#> k_parent_s 0.04663944 NA NA NA NA NA -#> f_parent_w_to_parent_s 0.12467894 NA NA NA NA NA -#> f_parent_s_to_parent_w 0.50000000 NA NA NA NA NA -#> sigma 3.13612618 NA NA NA NA NA
mkinerrmin(f_river) -
#> err.min n.optim df -#> All data 0.1090929 5 6 -#> parent_w 0.0817436 3 3 -#> parent_s 0.1619965 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 0.859186399 89.1008710 1.113861e-26 74.755959418 -#> k_parent 0.12081956 0.004601918 26.2541722 1.077359e-16 0.111561575 -#> k_M1 0.84258615 0.806160102 1.0451846 1.545268e-01 0.113779609 -#> k_M2 0.04210880 0.017083034 2.4649483 1.170188e-02 0.018013857 -#> k_M3 0.01122918 0.007245856 1.5497385 6.885052e-02 0.002909431 -#> f_parent_to_M1 0.32240200 0.240783943 1.3389680 9.819076e-02 NA -#> f_parent_to_M2 0.16099855 0.033691952 4.7785464 6.531136e-05 NA -#> f_M1_to_M3 0.27921507 0.269423780 1.0363416 1.565267e-01 0.022978205 -#> f_M2_to_M3 0.55641252 0.595119966 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 6.23970702 -#> k_M2 0.09843260 -#> k_M3 0.04333992 -#> f_parent_to_M1 NA -#> f_parent_to_M2 NA -#> f_M1_to_M3 0.86450775 -#> 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
# } -
+
+

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
+#> Warning: Could not calculate correlation; no covariance matrix
+#>                           Estimate se_notrans t value Pr(>t) Lower Upper
+#> parent_w_0             95.91998118         NA      NA     NA    NA    NA
+#> k_parent_w              0.41145375         NA      NA     NA    NA    NA
+#> k_parent_s              0.04663944         NA      NA     NA    NA    NA
+#> f_parent_w_to_parent_s  0.12467894         NA      NA     NA    NA    NA
+#> f_parent_s_to_parent_w  0.50000000         NA      NA     NA    NA    NA
+#> sigma                   3.13612618         NA      NA     NA    NA    NA
+  mkinerrmin(f_river)
+#>            err.min n.optim df
+#> All data 0.1090929       5  6
+#> parent_w 0.0817436       3  3
+#> parent_s 0.1619965       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 0.859186399 89.1008710 1.113861e-26 74.755959418
+#> k_parent        0.12081956 0.004601918 26.2541722 1.077359e-16  0.111561575
+#> k_M1            0.84258615 0.806160102  1.0451846 1.545268e-01  0.113779609
+#> k_M2            0.04210880 0.017083034  2.4649483 1.170188e-02  0.018013857
+#> k_M3            0.01122918 0.007245856  1.5497385 6.885052e-02  0.002909431
+#> f_parent_to_M1  0.32240200 0.240783943  1.3389680 9.819076e-02           NA
+#> f_parent_to_M2  0.16099855 0.033691952  4.7785464 6.531136e-05           NA
+#> f_M1_to_M3      0.27921507 0.269423780  1.0363416 1.565267e-01  0.022978205
+#> f_M2_to_M3      0.55641252 0.595119966  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            6.23970702
+#> k_M2            0.09843260
+#> k_M3            0.04333992
+#> f_parent_to_M1          NA
+#> f_parent_to_M2          NA
+#> f_M1_to_M3      0.86450775
+#> 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
+  # }
+
+
+
-
- - + + -- cgit v1.2.1