From a77a10ea6c607346778ba0700b3b66ac393101a2 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Wed, 27 May 2020 06:06:08 +0200 Subject: Create up to date pkgdown docs in development mode --- docs/dev/reference/mccall81_245T.html | 245 ++++++++++++++++++++++++++++++++++ 1 file changed, 245 insertions(+) create mode 100644 docs/dev/reference/mccall81_245T.html (limited to 'docs/dev/reference/mccall81_245T.html') diff --git a/docs/dev/reference/mccall81_245T.html b/docs/dev/reference/mccall81_245T.html new file mode 100644 index 00000000..dc0dfbf8 --- /dev/null +++ b/docs/dev/reference/mccall81_245T.html @@ -0,0 +1,245 @@ + + + + + + + + +Datasets on aerobic soil metabolism of 2,4,5-T in six soils — mccall81_245T • mkin + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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Datasets on aerobic soil metabolism of 2,4,5-T in six soils

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+

Time course of 2,4,5-trichlorophenoxyacetic acid, and the corresponding + 2,4,5-trichlorophenol and 2,4,5-trichloroanisole as recovered in diethylether + extracts.

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+ + 
mccall81_245T
+ + +

Format

+ +

A dataframe containing the following variables.

+
name

the name of the compound observed. Note that T245 is used as + an acronym for 2,4,5-T. T245 is a legitimate object name + in R, which is necessary for specifying models using + mkinmod.

+
time

a numeric vector containing sampling times in days after + treatment

+
value

a numeric vector containing concentrations in percent of applied radioactivity

+
soil

a factor containing the name of the soil

+ + + +

Source

+ +

McCall P, Vrona SA, Kelley SS (1981) Fate of uniformly carbon-14 ring labelled 2,4,5-Trichlorophenoxyacetic acid and 2,4-dichlorophenoxyacetic acid. J Agric Chem 29, 100-107 + http://dx.doi.org/10.1021/jf00103a026

+ +

Examples

+ 
  SFO_SFO_SFO <- mkinmod(T245 = list(type = "SFO", to = "phenol"),
+                         phenol = list(type = "SFO", to = "anisole"),
+                         anisole = list(type = "SFO"))
#> Successfully compiled differential equation model from auto-generated C code.
  # \dontrun{
+    fit.1 <- mkinfit(SFO_SFO_SFO, subset(mccall81_245T, soil == "Commerce"), quiet = TRUE)
#> Warning: Observations with value of zero were removed from the data
    summary(fit.1)$bpar
#>                         Estimate  se_notrans   t value       Pr(>t)
+#> T245_0              1.038550e+02 2.184707509 47.537272 4.472189e-18
+#> k_T245              4.337042e-02 0.001898397 22.845818 2.276912e-13
+#> k_phenol            4.050581e-01 0.298699410  1.356073 9.756993e-02
+#> k_anisole           6.678742e-03 0.000802144  8.326114 2.623179e-07
+#> f_T245_to_phenol    6.227599e-01 0.398534147  1.562626 6.949418e-02
+#> f_phenol_to_anisole 1.000000e+00 0.671844135  1.488440 7.867793e-02
+#> sigma               2.514628e+00 0.490755933  5.123989 6.233163e-05
+#>                            Lower        Upper
+#> T245_0              99.246061427 1.084640e+02
+#> k_T245               0.039631621 4.746194e-02
+#> k_phenol             0.218013878 7.525762e-01
+#> k_anisole            0.005370739 8.305299e-03
+#> f_T245_to_phenol     0.547559082 6.924813e-01
+#> f_phenol_to_anisole  0.000000000 1.000000e+00
+#> sigma                1.706607296 3.322649e+00
    endpoints(fit.1)
#> $ff
+#>    T245_phenol      T245_sink phenol_anisole    phenol_sink 
+#>   6.227599e-01   3.772401e-01   1.000000e+00   1.005127e-10 
+#> 
+#> $distimes
+#>               DT50      DT90
+#> T245     15.982025  53.09114
+#> phenol    1.711229   5.68458
+#> anisole 103.784092 344.76329
+#> 
    # k_phenol_sink is really small, therefore fix it to zero
+    fit.2 <- mkinfit(SFO_SFO_SFO, subset(mccall81_245T, soil == "Commerce"),
+                   parms.ini = c(k_phenol_sink = 0),
+                   fixed_parms = "k_phenol_sink", quiet = TRUE)
#> Warning: Observations with value of zero were removed from the data
#> Warning: Initial parameter(s) k_phenol_sink not used in the model
#> Error in data.frame(value = c(state.ini.fixed, parms.fixed)): row names contain missing values
    summary(fit.2)$bpar
#> Error in summary(fit.2): object 'fit.2' not found
    endpoints(fit.1)
#> $ff
+#>    T245_phenol      T245_sink phenol_anisole    phenol_sink 
+#>   6.227599e-01   3.772401e-01   1.000000e+00   1.005127e-10 
+#> 
+#> $distimes
+#>               DT50      DT90
+#> T245     15.982025  53.09114
+#> phenol    1.711229   5.68458
+#> anisole 103.784092 344.76329
+#> 
    plot_sep(fit.2)
#> Error in identical(fit$err_mod, "const"): object 'fit.2' not found
  # }
+
+
+ +
+ + + +
+ + + + + + + + -- cgit v1.2.1