From db9ae6a0c9cecb92048fde6f06af1da183c09b5f Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 19 Nov 2020 15:41:24 +0100 Subject: Depend on parallel, doc improvements By depending on parallel instead of importing it, functions to set up and stop a cluster are always available when mkin is loaded. The use of multicore processing in mmkin on Windows is now documented in the help file, which brings mkin closer to a version 1.0 #9. --- docs/dev/articles/web_only/NAFTA_examples.html | 321 +++++++++++++------------ 1 file changed, 164 insertions(+), 157 deletions(-) (limited to 'docs/dev/articles/web_only/NAFTA_examples.html') diff --git a/docs/dev/articles/web_only/NAFTA_examples.html b/docs/dev/articles/web_only/NAFTA_examples.html index ebe4b84e..c3192b37 100644 --- a/docs/dev/articles/web_only/NAFTA_examples.html +++ b/docs/dev/articles/web_only/NAFTA_examples.html @@ -95,13 +95,14 @@ -
+ +

Evaluation of example datasets from Attachment 1 to the US EPA SOP for the NAFTA guidance

Johannes Ranke

-

2020-10-15

+

2020-11-19

Source: vignettes/web_only/NAFTA_examples.rmd @@ -123,15 +124,15 @@

Example on page 5, upper panel

-
-p5a <- nafta(NAFTA_SOP_Attachment[["p5a"]])
+
+p5a <- nafta(NAFTA_SOP_Attachment[["p5a"]])
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c
## The half-life obtained from the IORE model may be used
-
-plot(p5a)
+
+plot(p5a)

-
-print(p5a)
+
+print(p5a)
## Sums of squares:
 ##       SFO      IORE      DFOP 
 ## 465.21753  56.27506  32.06401 
@@ -157,7 +158,7 @@
 ##          Estimate   Pr(>t)   Lower    Upper
 ## parent_0 9.99e+01 1.41e-26 98.8116 101.0810
 ## k1       2.67e-02 5.05e-06  0.0243   0.0295
-## k2       2.17e-12 5.00e-01  0.0000      Inf
+## k2       2.42e-12 5.00e-01  0.0000      Inf
 ## g        6.47e-01 3.67e-06  0.6248   0.6677
 ## sigma    1.27e+00 8.91e-06  0.8395   1.6929
 ## 
@@ -166,7 +167,7 @@
 ##      DT50     DT90 DT50_rep
 ## SFO  67.7 2.25e+02 6.77e+01
 ## IORE 58.2 1.07e+03 3.22e+02
-## DFOP 55.5 5.83e+11 3.20e+11
+## DFOP 55.5 5.22e+11 2.86e+11
 ## 
 ## Representative half-life:
 ## [1] 321.51
@@ -174,15 +175,15 @@

Example on page 5, lower panel

-
-p5b <- nafta(NAFTA_SOP_Attachment[["p5b"]])
+
+p5b <- nafta(NAFTA_SOP_Attachment[["p5b"]])
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c
## The half-life obtained from the IORE model may be used
-
-plot(p5b)
+
+plot(p5b)

-
-print(p5b)
+
+print(p5b)
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 94.81123 10.10936  7.55871 
@@ -208,7 +209,7 @@
 ##          Estimate   Pr(>t)   Lower   Upper
 ## parent_0 9.84e+01 1.24e-27 97.8078 98.9187
 ## k1       1.55e-02 4.10e-04  0.0143  0.0167
-## k2       1.04e-11 5.00e-01  0.0000     Inf
+## k2       1.10e-11 5.00e-01  0.0000     Inf
 ## g        6.89e-01 2.92e-03  0.6626  0.7142
 ## sigma    6.48e-01 2.38e-05  0.4147  0.8813
 ## 
@@ -217,7 +218,7 @@
 ##      DT50     DT90 DT50_rep
 ## SFO  86.6 2.88e+02 8.66e+01
 ## IORE 85.5 7.17e+02 2.16e+02
-## DFOP 83.6 1.09e+11 6.67e+10
+## DFOP 83.6 1.03e+11 6.29e+10
 ## 
 ## Representative half-life:
 ## [1] 215.87
@@ -225,15 +226,15 @@

Example on page 6

-
-p6 <- nafta(NAFTA_SOP_Attachment[["p6"]])
+
+p6 <- nafta(NAFTA_SOP_Attachment[["p6"]])
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c
## The half-life obtained from the IORE model may be used
-
-plot(p6)
+
+plot(p6)

-
-print(p6)
+
+print(p6)
## Sums of squares:
 ##       SFO      IORE      DFOP 
 ## 188.45361  51.00699  42.46931 
@@ -259,7 +260,7 @@
 ##          Estimate   Pr(>t)   Lower   Upper
 ## parent_0 9.66e+01 1.57e-25 95.3476 97.8979
 ## k1       2.55e-02 7.33e-06  0.0233  0.0278
-## k2       3.88e-11 5.00e-01  0.0000     Inf
+## k2       3.60e-11 5.00e-01  0.0000     Inf
 ## g        8.61e-01 7.55e-06  0.8314  0.8867
 ## sigma    1.46e+00 6.93e-06  0.9661  1.9483
 ## 
@@ -268,7 +269,7 @@
 ##      DT50     DT90 DT50_rep
 ## SFO  38.6 1.28e+02 3.86e+01
 ## IORE 34.0 1.77e+02 5.32e+01
-## DFOP 34.1 8.42e+09 1.79e+10
+## DFOP 34.1 9.07e+09 1.93e+10
 ## 
 ## Representative half-life:
 ## [1] 53.17
@@ -276,15 +277,15 @@

Example on page 7

-
-p7 <- nafta(NAFTA_SOP_Attachment[["p7"]])
+
+p7 <- nafta(NAFTA_SOP_Attachment[["p7"]])
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c
## The half-life obtained from the IORE model may be used
-
-plot(p7)
+
+plot(p7)

-
-print(p7)
+
+print(p7)
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 3661.661 3195.030 3174.145 
@@ -310,7 +311,7 @@
 ##          Estimate   Pr(>t)   Lower    Upper
 ## parent_0 9.89e+01 9.44e-49 95.4640 102.2573
 ## k1       1.81e-02 1.75e-01  0.0116   0.0281
-## k2       2.30e-10 5.00e-01  0.0000      Inf
+## k2       2.89e-10 5.00e-01  0.0000      Inf
 ## g        6.06e-01 2.19e-01  0.4826   0.7178
 ## sigma    7.40e+00 2.97e-15  6.0201   8.7754
 ## 
@@ -319,7 +320,7 @@
 ##      DT50     DT90 DT50_rep
 ## SFO  94.3 3.13e+02 9.43e+01
 ## IORE 96.7 1.51e+03 4.55e+02
-## DFOP 96.4 5.95e+09 3.01e+09
+## DFOP 96.4 4.75e+09 2.40e+09
 ## 
 ## Representative half-life:
 ## [1] 454.55
@@ -332,15 +333,15 @@

Example on page 8

For this dataset, the IORE fit does not converge when the default starting values used by mkin for the IORE model are used. Therefore, a lower value for the rate constant is used here.

-
-p8 <- nafta(NAFTA_SOP_Attachment[["p8"]], parms.ini = c(k__iore_parent = 1e-3))
+
+p8 <- nafta(NAFTA_SOP_Attachment[["p8"]], parms.ini = c(k__iore_parent = 1e-3))
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c
## The half-life obtained from the IORE model may be used
-
-plot(p8)
+
+plot(p8)

-
-print(p8)
+
+print(p8)
## Sums of squares:
 ##       SFO      IORE      DFOP 
 ## 1996.9408  444.9237  547.5616 
@@ -387,15 +388,15 @@
 

 

 Example on page 9, upper panel

-
-p9a <- nafta(NAFTA_SOP_Attachment[["p9a"]])

+
+p9a <- nafta(NAFTA_SOP_Attachment[["p9a"]])

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p9a)

+
+plot(p9a)

 

-
-print(p9a)

+
+print(p9a)

 
## Sums of squares:
 ##       SFO      IORE      DFOP 
 ## 839.35238  88.57064   9.93363 
@@ -421,7 +422,7 @@
 ##          Estimate   Pr(>t)  Lower  Upper
 ## parent_0 9.85e+01 2.54e-20 97.390 99.672
 ## k1       1.38e-01 3.52e-05  0.131  0.146
-## k2       6.69e-13 5.00e-01  0.000    Inf
+## k2       9.03e-13 5.00e-01  0.000    Inf
 ## g        6.52e-01 8.13e-06  0.642  0.661
 ## sigma    7.88e-01 6.13e-02  0.481  1.095
 ## 
@@ -430,7 +431,7 @@
 ##      DT50     DT90 DT50_rep
 ## SFO  16.9 5.63e+01 1.69e+01
 ## IORE 11.6 3.37e+02 1.01e+02
-## DFOP 10.5 1.86e+12 1.04e+12
+## DFOP 10.5 1.38e+12 7.67e+11
 ## 
 ## Representative half-life:
 ## [1] 101.43

@@ -439,15 +440,19 @@
 

 

 Example on page 9, lower panel

-
-p9b <- nafta(NAFTA_SOP_Attachment[["p9b"]])

+
+p9b <- nafta(NAFTA_SOP_Attachment[["p9b"]])

+
## Warning in sqrt(diag(covar)): NaNs produced

+
## Warning in sqrt(1/diag(V)): NaNs produced

+
## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result is
+## doubtful

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p9b)

+
+plot(p9b)

 

-
-print(p9b)

+
+print(p9b)

 
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 35.64867 23.22334 35.64867 
@@ -470,12 +475,12 @@
 ## sigma             1.288 1.76e-04  0.7456  1.830
 ## 
 ## $DFOP
-##          Estimate   Pr(>t)   Lower   Upper
-## parent_0  94.7123 1.61e-16 93.1355 96.2891
-## k1         0.0389 1.43e-06  0.0312  0.0485
-## k2         0.0389 6.67e-03  0.0186  0.0812
-## g          0.7742 5.00e-01  0.0000  1.0000
-## sigma      1.5957 2.50e-04  0.9135  2.2779
+##          Estimate Pr(>t)   Lower   Upper
+## parent_0  94.7123     NA 93.1355 96.2891
+## k1         0.0389     NA  0.0266  0.0569
+## k2         0.0389     NA  0.0255  0.0592
+## g          0.5256     NA      NA      NA
+## sigma      1.5957     NA  0.9135  2.2779
 ## 
 ## 
 ## DTx values:
@@ -491,15 +496,16 @@
 

 

 Example on page 10

-
-p10 <- nafta(NAFTA_SOP_Attachment[["p10"]])

+
+p10 <- nafta(NAFTA_SOP_Attachment[["p10"]])

+
## Warning in sqrt(diag(covar_notrans)): NaNs produced

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p10)

+
+plot(p10)

 

-
-print(p10)

+
+print(p10)

 
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 899.4089 336.4348 899.4089 
@@ -522,12 +528,12 @@
 ## sigma              4.90 1.77e-04  2.837   6.968
 ## 
 ## $DFOP
-##          Estimate   Pr(>t)   Lower   Upper
-## parent_0 101.7315 1.41e-09 91.6534 111.810
-## k1         0.0495 6.48e-04  0.0303   0.081
-## k2         0.0495 1.67e-02  0.0201   0.122
-## g          0.6634 5.00e-01  0.0000   1.000
-## sigma      8.0152 2.50e-04  4.5886  11.442
+##          Estimate   Pr(>t)   Lower    Upper
+## parent_0 101.7315 1.41e-09 91.6534 111.8097
+## k1         0.0495 5.63e-03  0.0240   0.1020
+## k2         0.0495 1.93e-03  0.0272   0.0903
+## g          0.4487      NaN  0.0000   1.0000
+## sigma      8.0152 2.50e-04  4.5886  11.4418
 ## 
 ## 
 ## DTx values:
@@ -547,15 +553,15 @@
 

 

 Example on page 11

-
-p11 <- nafta(NAFTA_SOP_Attachment[["p11"]])

+
+p11 <- nafta(NAFTA_SOP_Attachment[["p11"]])

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p11)

+
+plot(p11)

 

-
-print(p11)

+
+print(p11)

 
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 579.6805 204.7932 144.7783 
@@ -581,7 +587,7 @@
 ##          Estimate   Pr(>t)    Lower    Upper
 ## parent_0 1.05e+02 9.47e-13  99.9990 109.1224
 ## k1       4.41e-02 5.95e-03   0.0296   0.0658
-## k2       7.25e-13 5.00e-01   0.0000      Inf
+## k2       9.94e-13 5.00e-01   0.0000      Inf
 ## g        3.22e-01 1.45e-03   0.2814   0.3650
 ## sigma    3.22e+00 3.52e-04   1.8410   4.5906
 ## 
@@ -590,7 +596,7 @@
 ##          DT50     DT90 DT50_rep
 ## SFO  2.16e+02 7.18e+02 2.16e+02
 ## IORE 9.73e+02 1.37e+08 4.11e+07
-## DFOP 4.21e+11 2.64e+12 9.56e+11
+## DFOP 3.07e+11 1.93e+12 6.97e+11
 ## 
 ## Representative half-life:
 ## [1] 41148171

@@ -604,17 +610,20 @@
 

 

 Example on page 12, upper panel

-
-p12a <- nafta(NAFTA_SOP_Attachment[["p12a"]])

+
+p12a <- nafta(NAFTA_SOP_Attachment[["p12a"]])

 
## Warning in summary.mkinfit(x): Could not calculate correlation; no covariance
+## matrix
+
+## Warning in summary.mkinfit(x): Could not calculate correlation; no covariance
 ## matrix

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p12a)

+
+plot(p12a)

 

-
-print(p12a)

+
+print(p12a)

 
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 695.4440 220.0685 695.4440 
@@ -637,12 +646,12 @@
 ## sigma             3.965     NA    NA    NA
 ## 
 ## $DFOP
-##          Estimate   Pr(>t)   Lower   Upper
-## parent_0  100.521 2.74e-10 92.2366 108.805
-## k1          0.124 5.75e-06  0.0958   0.161
-## k2          0.124 6.72e-02  0.0319   0.484
-## g           0.877 5.00e-01  0.0000   1.000
-## sigma       7.048 2.50e-04  4.0349  10.061
+##          Estimate   Pr(>t) Lower Upper
+## parent_0  100.521 2.74e-10    NA    NA
+## k1          0.124 2.53e-05    NA    NA
+## k2          0.124 2.52e-02    NA    NA
+## g           0.793 5.00e-01    NA    NA
+## sigma       7.048 2.50e-04    NA    NA
 ## 
 ## 
 ## DTx values:
@@ -657,23 +666,21 @@
 

 

 Example on page 12, lower panel

-
-p12b <- nafta(NAFTA_SOP_Attachment[["p12b"]])

+
+p12b <- nafta(NAFTA_SOP_Attachment[["p12b"]])

 
## Warning in sqrt(diag(covar)): NaNs produced

 
## Warning in qt(alpha/2, rdf): NaNs produced

 
## Warning in qt(1 - alpha/2, rdf): NaNs produced

-
## Warning in sqrt(diag(covar_notrans)): NaNs produced

-
## Warning in pt(abs(tval), rdf, lower.tail = FALSE): NaNs produced

 
## Warning in sqrt(1/diag(V)): NaNs produced

 
## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result is
 ## doubtful

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p12b)

+
+plot(p12b)

 

-
-print(p12b)

+
+print(p12b)

 
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 58.90242 19.06353 58.90242 
@@ -697,11 +704,11 @@
 ## 
 ## $DFOP
 ##          Estimate Pr(>t) Lower Upper
-## parent_0  97.6840    NaN   NaN   NaN
-## k1         0.0589    NaN    NA    NA
-## k2         0.0589    NaN    NA    NA
-## g          0.6902    NaN    NA    NA
-## sigma      3.4323    NaN   NaN   NaN
+## parent_0  97.6840     NA   NaN   NaN
+## k1         0.0589     NA    NA    NA
+## k2         0.0589     NA    NA    NA
+## g          0.6473     NA    NA    NA
+## sigma      3.4323     NA   NaN   NaN
 ## 
 ## 
 ## DTx values:
@@ -716,15 +723,19 @@
 

 

 Example on page 13

-
-p13 <- nafta(NAFTA_SOP_Attachment[["p13"]])

+
+p13 <- nafta(NAFTA_SOP_Attachment[["p13"]])

+
## Warning in sqrt(diag(covar)): NaNs produced

+
## Warning in sqrt(1/diag(V)): NaNs produced

+
## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result is
+## doubtful

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p13)

+
+plot(p13)

 

-
-print(p13)

+
+print(p13)

 
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 174.5971 142.3951 174.5971 
@@ -747,12 +758,12 @@
 ## sigma            3.0811 9.64e-05  1.84296  4.319
 ## 
 ## $DFOP
-##          Estimate   Pr(>t)    Lower    Upper
-## parent_0 92.73500 9.25e-15 8.95e+01 9.59e+01
-## k1        0.00258 4.28e-01 1.45e-08 4.61e+02
-## k2        0.00258 3.69e-08 2.20e-03 3.03e-03
-## g         0.00442 5.00e-01 0.00e+00 1.00e+00
-## sigma     3.41172 1.35e-04 2.02e+00 4.80e+00
+##          Estimate Pr(>t)    Lower    Upper
+## parent_0 92.73500     NA 8.95e+01 95.92118
+## k1        0.00258     NA 4.25e-04  0.01569
+## k2        0.00258     NA 1.76e-03  0.00379
+## g         0.16452     NA       NA       NA
+## sigma     3.41172     NA 2.02e+00  4.79960
 ## 
 ## 
 ## DTx values:
@@ -768,19 +779,19 @@
 

 

 DT50 not observed in the study and DFOP problems in PestDF

-
-p14 <- nafta(NAFTA_SOP_Attachment[["p14"]])

+
+p14 <- nafta(NAFTA_SOP_Attachment[["p14"]])

 
## Warning in sqrt(diag(covar)): NaNs produced

 
## Warning in sqrt(1/diag(V)): NaNs produced

 
## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result is
 ## doubtful

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p14)

+
+plot(p14)

 

-
-print(p14)

+
+print(p14)

 
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 48.43249 28.67746 27.26248 
@@ -806,7 +817,7 @@
 ##          Estimate   Pr(>t)    Lower    Upper
 ## parent_0 1.00e+02 2.96e-28 99.40280 101.2768
 ## k1       9.53e-03 1.20e-01  0.00638   0.0143
-## k2       7.70e-12 5.00e-01  0.00000      Inf
+## k2       5.33e-12 5.00e-01  0.00000      Inf
 ## g        3.98e-01 2.19e-01  0.30481   0.4998
 ## sigma    1.17e+00 7.68e-06  0.77406   1.5610
 ## 
@@ -815,7 +826,7 @@
 ##          DT50     DT90 DT50_rep
 ## SFO  2.48e+02 8.25e+02 2.48e+02
 ## IORE 4.34e+02 2.22e+04 6.70e+03
-## DFOP 2.41e+10 2.33e+11 9.00e+10
+## DFOP 3.48e+10 3.37e+11 1.30e+11
 ## 
 ## Representative half-life:
 ## [1] 6697.44

@@ -824,19 +835,15 @@
 

 

 N is less than 1 and DFOP fraction parameter is below zero

-
-p15a <- nafta(NAFTA_SOP_Attachment[["p15a"]])

-
## Warning in sqrt(diag(covar)): NaNs produced

-
## Warning in sqrt(1/diag(V)): NaNs produced

-
## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result is
-## doubtful

+
+p15a <- nafta(NAFTA_SOP_Attachment[["p15a"]])

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p15a)

+
+plot(p15a)

 

-
-print(p15a)

+
+print(p15a)

 
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 245.5248 135.0132 245.5248 
@@ -860,10 +867,10 @@
 ## 
 ## $DFOP
 ##          Estimate Pr(>t)    Lower    Upper
-## parent_0 97.96752     NA 94.21914 101.7159
-## k1        0.00952     NA  0.00241   0.0377
-## k2        0.00952     NA  0.00747   0.0121
-## g         0.17247     NA       NA       NA
+## parent_0 97.96751     NA 94.21913 101.7159
+## k1        0.00952     NA  0.00221   0.0411
+## k2        0.00952     NA  0.00626   0.0145
+## g         0.21241     NA  0.00000   1.0000
 ## sigma     4.18778     NA  2.39747   5.9781
 ## 
 ## 
@@ -875,19 +882,19 @@
 ## 
 ## Representative half-life:
 ## [1] 41.33

-
-p15b <- nafta(NAFTA_SOP_Attachment[["p15b"]])

+
+p15b <- nafta(NAFTA_SOP_Attachment[["p15b"]])

 
## Warning in sqrt(diag(covar)): NaNs produced

 
## Warning in sqrt(1/diag(V)): NaNs produced

 
## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result is
 ## doubtful

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The half-life obtained from the IORE model may be used

-
-plot(p15b)

+
+plot(p15b)

 

-
-print(p15b)

+
+print(p15b)

 
## Sums of squares:
 ##       SFO      IORE      DFOP 
 ## 106.91629  68.55574 106.91629 
@@ -911,11 +918,11 @@
 ## 
 ## $DFOP
 ##          Estimate Pr(>t)    Lower    Upper
-## parent_0 1.01e+02     NA 98.24464 1.04e+02
-## k1       4.86e-03     NA  0.00068 3.47e-02
-## k2       4.86e-03     NA  0.00338 6.99e-03
-## g        1.50e-01     NA       NA       NA
-## sigma    2.76e+00     NA  1.58208 3.94e+00
+## parent_0 1.01e+02     NA 9.82e+01 1.04e+02
+## k1       4.86e-03     NA 8.63e-04 2.73e-02
+## k2       4.86e-03     NA 3.21e-03 7.35e-03
+## g        1.88e-01     NA       NA       NA
+## sigma    2.76e+00     NA 1.58e+00 3.94e+00
 ## 
 ## 
 ## DTx values:
@@ -931,17 +938,17 @@
 

 

 The DFOP fraction parameter is greater than 1

-
-p16 <- nafta(NAFTA_SOP_Attachment[["p16"]])

+
+p16 <- nafta(NAFTA_SOP_Attachment[["p16"]])

 
## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c

 
## The representative half-life of the IORE model is longer than the one corresponding

 
## to the terminal degradation rate found with the DFOP model.

 
## The representative half-life obtained from the DFOP model may be used

-
-plot(p16)

+
+plot(p16)

 

-
-print(p16)

+
+print(p16)

 
## Sums of squares:
 ##      SFO     IORE     DFOP 
 ## 3831.804 2062.008 1550.980 
@@ -966,7 +973,7 @@
 ## $DFOP
 ##          Estimate   Pr(>t)   Lower  Upper
 ## parent_0  88.5333 7.40e-18 79.9836 97.083
-## k1        18.5560 5.00e-01  0.0000    Inf
+## k1        18.8461 5.00e-01  0.0000    Inf
 ## k2         0.0776 1.41e-05  0.0518  0.116
 ## g          0.4733 1.41e-09  0.3674  0.582
 ## sigma      7.1902 2.11e-08  5.2785  9.102
-- 
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