From e5d1df9a9b1f0951d7dfbaf24eee4294470b73e2 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 17 Nov 2022 14:54:20 +0100 Subject: Complete update of online docs for v1.2.0 --- docs/reference/mccall81_245T.html | 100 ++++++++++++++++++++------------------ 1 file changed, 53 insertions(+), 47 deletions(-) (limited to 'docs/reference/mccall81_245T.html') diff --git a/docs/reference/mccall81_245T.html b/docs/reference/mccall81_245T.html index 97ac647e..0460e376 100644 --- a/docs/reference/mccall81_245T.html +++ b/docs/reference/mccall81_245T.html @@ -19,7 +19,7 @@ mkin - 1.1.0 + 1.2.0 @@ -46,11 +46,14 @@ Example evaluations of dimethenamid data from 2018 with nonlinear mixed-effects models
  • - Example evaluation of FOCUS Example Dataset Z + Short demo of the multistart method
  • Performance benefit by using compiled model definitions in mkin
    • +
  • + Example evaluation of FOCUS Example Dataset Z +
  • Calculation of time weighted average concentrations with mkin
    • @@ -58,7 +61,10 @@ Example evaluation of NAFTA SOP Attachment examples
  • - Some benchmark timings + Benchmark timings for mkin +
    • +
  • + Benchmark timings for saem.mmkin
  • @@ -91,7 +97,7 @@
    - 
    mccall81_245T
    + 
    mccall81_245T
    @@ -122,80 +128,80 @@

    Examples

    - 
      SFO_SFO_SFO <- mkinmod(T245 = list(type = "SFO", to = "phenol"),
-    phenol = list(type = "SFO", to = "anisole"),
-    anisole = list(type = "SFO"))
+    
      SFO_SFO_SFO <- mkinmod(T245 = list(type = "SFO", to = "phenol"),
+    phenol = list(type = "SFO", to = "anisole"),
+    anisole = list(type = "SFO"))
 #> Temporary DLL for differentials generated and loaded
-  # \dontrun{
-    fit.1 <- mkinfit(SFO_SFO_SFO, subset(mccall81_245T, soil == "Commerce"), quiet = TRUE)
+  # \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)$bpar
+    summary(fit.1)$bpar
 #>                         Estimate   se_notrans   t value       Pr(>t)
-#> T245_0              1.038550e+02 2.1847074929 47.537272 4.472189e-18
+#> T245_0              1.038550e+02 2.1847074945 47.537272 4.472189e-18
 #> k_T245              4.337042e-02 0.0018983965 22.845818 2.276911e-13
-#> k_phenol            4.050581e-01 0.2986993439  1.356073 9.756988e-02
-#> k_anisole           6.678742e-03 0.0008021439  8.326114 2.623176e-07
-#> f_T245_to_phenol    6.227599e-01 0.3985340365  1.562627 6.949413e-02
-#> f_phenol_to_anisole 1.000000e+00 0.6718439498  1.488441 7.867788e-02
-#> sigma               2.514628e+00 0.4907558786  5.123989 6.233156e-05
+#> k_phenol            4.050581e-01 0.2986993563  1.356073 9.756989e-02
+#> k_anisole           6.678742e-03 0.0008021439  8.326114 2.623177e-07
+#> f_T245_to_phenol    6.227599e-01 0.3985340558  1.562627 6.949413e-02
+#> f_phenol_to_anisole 1.000000e+00 0.6718439825  1.488441 7.867789e-02
+#> sigma               2.514628e+00 0.4907558883  5.123989 6.233157e-05
 #>                            Lower        Upper
-#> T245_0              99.246061401 1.084640e+02
+#> T245_0              99.246061385 1.084640e+02
 #> k_T245               0.039631621 4.746194e-02
-#> k_phenol             0.218013878 7.525762e-01
+#> k_phenol             0.218013879 7.525762e-01
 #> k_anisole            0.005370739 8.305299e-03
 #> f_T245_to_phenol     0.547559081 6.924813e-01
 #> f_phenol_to_anisole  0.000000000 1.000000e+00
 #> sigma                1.706607296 3.322649e+00
-    endpoints(fit.1)
+    endpoints(fit.1)
 #> $ff
 #>    T245_phenol      T245_sink phenol_anisole    phenol_sink 
-#>   6.227599e-01   3.772401e-01   1.000000e+00   3.195366e-10 
+#>   6.227599e-01   3.772401e-01   1.000000e+00   3.773626e-10 
 #> 
 #> $distimes
 #>               DT50      DT90
 #> T245     15.982025  53.09114
 #> phenol    1.711229   5.68458
-#> anisole 103.784092 344.76329
+#> anisole 103.784093 344.76329
 #> 
-    # formation fraction from phenol to anisol is practically 1. As we cannot
-    # fix formation fractions when using the ilr transformation, we can turn of
-    # the sink in the model generation
-    SFO_SFO_SFO_2 <- mkinmod(T245 = list(type = "SFO", to = "phenol"),
-      phenol = list(type = "SFO", to = "anisole", sink = FALSE),
-      anisole = list(type = "SFO"))
+    # formation fraction from phenol to anisol is practically 1. As we cannot
+    # fix formation fractions when using the ilr transformation, we can turn of
+    # the sink in the model generation
+    SFO_SFO_SFO_2 <- mkinmod(T245 = list(type = "SFO", to = "phenol"),
+      phenol = list(type = "SFO", to = "anisole", sink = FALSE),
+      anisole = list(type = "SFO"))
 #> Temporary DLL for differentials generated and loaded
-    fit.2 <- mkinfit(SFO_SFO_SFO_2, subset(mccall81_245T, soil == "Commerce"),
-      quiet = TRUE)
+    fit.2 <- mkinfit(SFO_SFO_SFO_2, subset(mccall81_245T, soil == "Commerce"),
+      quiet = TRUE)
 #> Warning: Observations with value of zero were removed from the data
-    summary(fit.2)$bpar
+    summary(fit.2)$bpar
 #>                      Estimate   se_notrans   t value       Pr(>t)        Lower
-#> T245_0           1.038550e+02 2.1623653038 48.028439 4.993108e-19 99.271020197
-#> k_T245           4.337042e-02 0.0018343667 23.643268 3.573556e-14  0.039650977
-#> k_phenol         4.050583e-01 0.1177237899  3.440751 1.679257e-03  0.218746592
-#> k_anisole        6.678741e-03 0.0006829745  9.778903 1.872895e-08  0.005377082
-#> f_T245_to_phenol 6.227599e-01 0.0342197865 18.198824 2.039410e-12  0.547975622
+#> T245_0           1.038550e+02 2.1623653066 48.028439 4.993108e-19 99.271020284
+#> k_T245           4.337042e-02 0.0018343666 23.643268 3.573556e-14  0.039650976
+#> k_phenol         4.050582e-01 0.1177237473  3.440752 1.679254e-03  0.218746587
+#> k_anisole        6.678742e-03 0.0006829745  9.778903 1.872894e-08  0.005377083
+#> f_T245_to_phenol 6.227599e-01 0.0342197875 18.198824 2.039411e-12  0.547975637
 #> sigma            2.514628e+00 0.3790944250  6.633250 2.875782e-06  1.710983655
 #>                         Upper
-#> T245_0           1.084390e+02
-#> k_T245           4.743877e-02
-#> k_phenol         7.500560e-01
-#> k_anisole        8.295499e-03
-#> f_T245_to_phenol 6.921231e-01
-#> sigma            3.318272e+00
-    endpoints(fit.1)
+#> T245_0           108.43904074
+#> k_T245             0.04743877
+#> k_phenol           0.75005585
+#> k_anisole          0.00829550
+#> f_T245_to_phenol   0.69212308
+#> sigma              3.31827222
+    endpoints(fit.1)
 #> $ff
 #>    T245_phenol      T245_sink phenol_anisole    phenol_sink 
-#>   6.227599e-01   3.772401e-01   1.000000e+00   3.195366e-10 
+#>   6.227599e-01   3.772401e-01   1.000000e+00   3.773626e-10 
 #> 
 #> $distimes
 #>               DT50      DT90
 #> T245     15.982025  53.09114
 #> phenol    1.711229   5.68458
-#> anisole 103.784092 344.76329
+#> anisole 103.784093 344.76329
 #> 
-    plot_sep(fit.2)
+    plot_sep(fit.2)
 
-  # }
+  # }
    @@ -210,7 +216,7 @@
    -

    Site built with pkgdown 2.0.3.

    +

    Site built with pkgdown 2.0.6.

    -- cgit v1.2.1