From 1ef7008be2a72a0847064ad9c2ddcfa16b055482 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 3 May 2019 19:14:15 +0200 Subject: Improve error model fitting Now we have a three stage fitting process for nonconstant error models: - Unweighted least squares - Only optimize the error model - Optimize both Static documentation rebuilt by pkgdown --- docs/reference/mccall81_245T.html | 42 +++++++++++++++++++-------------------- 1 file changed, 21 insertions(+), 21 deletions(-) (limited to 'docs/reference/mccall81_245T.html') diff --git a/docs/reference/mccall81_245T.html b/docs/reference/mccall81_245T.html index 1f0f6b50..1db9a9d9 100644 --- a/docs/reference/mccall81_245T.html +++ b/docs/reference/mccall81_245T.html @@ -160,14 +160,14 @@

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.
  
    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
#> Warning: NaNs wurden erzeugt
#>                      Estimate  se_notrans   t value       Pr(>t)        Lower
-#> T245_0           1.038550e+02 2.150809526 48.286486 3.542195e-18 99.246062243
-#> k_T245_sink      1.636106e-02         NaN       NaN          NaN  0.012661558
-#> k_T245_phenol    2.700936e-02         NaN       NaN          NaN  0.024487315
-#> k_phenol_sink    1.187912e-10         NaN       NaN          NaN  0.000000000
-#> k_phenol_anisole 4.050581e-01 0.105378416  3.843843 7.969195e-04  0.218013983
-#> k_anisole_sink   6.678742e-03 0.000620576 10.762166 9.426361e-09  0.005370739
-#> sigma            2.514628e+00 0.338361458  7.431780 1.053891e-06  1.706607296
+                         anisole = list(type = "SFO"))
#> Successfully compiled differential equation model from auto-generated C code.
  
    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
#> Warning: NaNs wurden erzeugt
#>                      Estimate   se_notrans   t value       Pr(>t)        Lower
+#> T245_0           1.038550e+02 2.1508110557 48.286452 3.542232e-18 99.246062215
+#> k_T245_sink      1.636106e-02          NaN       NaN          NaN  0.012661558
+#> k_T245_phenol    2.700936e-02          NaN       NaN          NaN  0.024487315
+#> k_phenol_sink    1.788604e-10          NaN       NaN          NaN  0.000000000
+#> k_phenol_anisole 4.050581e-01 0.1053801116  3.843781 7.970202e-04  0.218013982
+#> k_anisole_sink   6.678742e-03 0.0006205844 10.762020 9.428076e-09  0.005370739
+#> sigma            2.514628e+00 0.3383670685  7.431657 1.054101e-06  1.706607296
 #>                         Upper
 #> T245_0           1.084640e+02
 #> k_T245_sink      2.114150e-02
@@ -177,7 +177,7 @@
 #> k_anisole_sink   8.305299e-03
 #> sigma            3.322649e+00
    endpoints(fit.1)
#> $ff
 #>      T245_sink    T245_phenol    phenol_sink phenol_anisole   anisole_sink 
-#>   3.772401e-01   6.227599e-01   2.932696e-10   1.000000e+00   1.000000e+00 
+#>   3.772401e-01   6.227599e-01   4.415672e-10   1.000000e+00   1.000000e+00 
 #> 
 #> $SFORB
 #> logical(0)
@@ -191,21 +191,21 @@
     fit.2 <- mkinfit(SFO_SFO_SFO, subset(mccall81_245T, soil == "Commerce"),
                    parms.ini = c(k_phenol_sink = 0),
                    fixed_parms = "k_phenol_sink", quiet = TRUE)
#> Warning: Observations with value of zero were removed from the data
    summary(fit.2)$bpar
#>                      Estimate   se_notrans   t value       Pr(>t)        Lower
-#> T245_0           1.038550e+02 2.1623652988 48.028441 4.993105e-19 99.271024566
-#> k_T245_sink      1.636106e-02 0.0019676253  8.315129 1.673677e-07  0.012679144
-#> k_T245_phenol    2.700936e-02 0.0012421965 21.743225 1.314080e-13  0.024500318
-#> k_phenol_anisole 4.050581e-01 0.1177235385  3.440757 1.679236e-03  0.218746681
-#> k_anisole_sink   6.678743e-03 0.0006829745  9.778904 1.872891e-08  0.005377084
+#> T245_0           1.038550e+02 2.1623653063 48.028441 4.993105e-19 99.271025146
+#> k_T245_sink      1.636106e-02 0.0019676255  8.315130 1.673674e-07  0.012679148
+#> k_T245_phenol    2.700936e-02 0.0012421966 21.743224 1.314080e-13  0.024500319
+#> k_phenol_anisole 4.050581e-01 0.1177235488  3.440757 1.679237e-03  0.218746679
+#> k_anisole_sink   6.678742e-03 0.0006829745  9.778904 1.872892e-08  0.005377084
 #> sigma            2.514628e+00 0.3790944250  6.633250 2.875782e-06  1.710983655
 #>                         Upper
-#> T245_0           1.084390e+02
-#> k_T245_sink      2.111217e-02
-#> k_T245_phenol    2.977534e-02
-#> k_phenol_anisole 7.500550e-01
-#> k_anisole_sink   8.295501e-03
-#> sigma            3.318272e+00
    endpoints(fit.1)
#> $ff
+#> T245_0           108.43904395
+#> k_T245_sink        0.02111217
+#> k_T245_phenol      0.02977535
+#> k_phenol_anisole   0.75005504
+#> k_anisole_sink     0.00829550
+#> sigma              3.31827222
    endpoints(fit.1)
#> $ff
 #>      T245_sink    T245_phenol    phenol_sink phenol_anisole   anisole_sink 
-#>   3.772401e-01   6.227599e-01   2.932696e-10   1.000000e+00   1.000000e+00 
+#>   3.772401e-01   6.227599e-01   4.415672e-10   1.000000e+00   1.000000e+00 
 #> 
 #> $SFORB
 #> logical(0)
-- 
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