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 
@@ -171,12 +174,15 @@
 
 
 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 
@@ -219,12 +225,15 @@
 
 
 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 
@@ -267,12 +276,15 @@
 
 
 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 
@@ -320,12 +332,15 @@
 
 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 
@@ -372,12 +387,15 @@
 
 
 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 
@@ -421,12 +439,15 @@
 
 
 Example on page 9, lower panel
-p9b <- nafta(NAFTA_SOP_Attachment[["p9b"]])
++p9b <- nafta(NAFTA_SOP_Attachment[["p9b"]])
 ## 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 +491,15 @@
 
 
 Example on page 10
-p10 <- nafta(NAFTA_SOP_Attachment[["p10"]])
++p10 <- nafta(NAFTA_SOP_Attachment[["p10"]])
 ## 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 
@@ -523,12 +547,15 @@
 
 
 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 
@@ -577,14 +604,17 @@
 
 
 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
 ## 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 
@@ -627,7 +657,8 @@
 
 
 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
@@ -638,9 +669,11 @@
 ## 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 
@@ -683,12 +716,15 @@
 
 
 Example on page 13
-p13 <- nafta(NAFTA_SOP_Attachment[["p13"]])
++p13 <- nafta(NAFTA_SOP_Attachment[["p13"]])
 ## 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 
@@ -732,16 +768,19 @@
 
 
 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 
@@ -785,16 +824,19 @@
 
 
 N is less than 1 and DFOP fraction parameter is below zero
-p15a <- nafta(NAFTA_SOP_Attachment[["p15a"]])
++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
 ## 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 
@@ -833,16 +875,19 @@
 ## 
 ## 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 
@@ -886,14 +931,17 @@
 
 
 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 +1014,7 @@
 

 
 
-  Site built with pkgdown 1.5.1.
+  Site built with pkgdown 1.6.1.
 
 
       
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-- 
cgit v1.2.1

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

Johannes Ranke

2020-10-08

2020-10-15

Example on page 5, upper panel

Example on page 5, lower panel

Example on page 6

Example on page 7

Example on page 8

Example on page 9, upper panel

Example on page 9, lower panel

Example on page 10

Example on page 11

Example on page 12, upper panel

Example on page 12, lower panel

Example on page 13

DT50 not observed in the study and DFOP problems in PestDF

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

The DFOP fraction parameter is greater than 1