From 0b754ffa91b9496bdd2f892cf3ca2bd887028dea Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 27 Jul 2021 18:22:01 +0200 Subject: Fix dimethenamid vignette problems and update docs --- docs/dev/reference/saem.html | 480 +++++++++++++++++++++---------------------- 1 file changed, 240 insertions(+), 240 deletions(-) (limited to 'docs/dev/reference/saem.html') diff --git a/docs/dev/reference/saem.html b/docs/dev/reference/saem.html index 98faad6f..15271c8a 100644 --- a/docs/dev/reference/saem.html +++ b/docs/dev/reference/saem.html @@ -74,7 +74,7 @@ Expectation Maximisation algorithm (SAEM)." /> mkin - 1.0.5 + 1.1.0 @@ -158,7 +158,7 @@ Expectation Maximisation algorithm (SAEM).

object, transformations = c("mkin", "saemix"), degparms_start = numeric(), - test_log_parms = FALSE, + test_log_parms = TRUE, conf.level = 0.6, solution_type = "auto", nbiter.saemix = c(300, 100), @@ -288,27 +288,27 @@ using mmkin.

state.ini = c(parent = 100), fixed_initials = "parent", quiet = TRUE) f_saem_p0_fixed <- saem(f_mmkin_parent_p0_fixed)
#> Running main SAEM algorithm -#> [1] "Fri Jun 11 10:56:49 2021" +#> [1] "Tue Jul 27 16:31:02 2021" #> .... #> Minimisation finished -#> [1] "Fri Jun 11 10:56:51 2021"
+#> [1] "Tue Jul 27 16:31:04 2021"
f_mmkin_parent <- mmkin(c("SFO", "FOMC", "DFOP"), ds, quiet = TRUE) f_saem_sfo <- saem(f_mmkin_parent["SFO", ])
#> Running main SAEM algorithm -#> [1] "Fri Jun 11 10:56:53 2021" +#> [1] "Tue Jul 27 16:31:06 2021" #> .... #> Minimisation finished -#> [1] "Fri Jun 11 10:56:54 2021"
f_saem_fomc <- saem(f_mmkin_parent["FOMC", ]) +#> [1] "Tue Jul 27 16:31:07 2021"
f_saem_fomc <- saem(f_mmkin_parent["FOMC", ])
#> Running main SAEM algorithm -#> [1] "Fri Jun 11 10:56:54 2021" +#> [1] "Tue Jul 27 16:31:07 2021" #> .... #> Minimisation finished -#> [1] "Fri Jun 11 10:56:57 2021"
f_saem_dfop <- saem(f_mmkin_parent["DFOP", ]) +#> [1] "Tue Jul 27 16:31:09 2021"
f_saem_dfop <- saem(f_mmkin_parent["DFOP", ])
#> Running main SAEM algorithm -#> [1] "Fri Jun 11 10:56:57 2021" +#> [1] "Tue Jul 27 16:31:10 2021" #> .... #> Minimisation finished -#> [1] "Fri Jun 11 10:57:00 2021"
+#> [1] "Tue Jul 27 16:31:12 2021"
# The returned saem.mmkin object contains an SaemixObject, therefore we can use # functions from saemix library(saemix) @@ -357,10 +357,10 @@ using mmkin.

f_mmkin_parent_tc <- update(f_mmkin_parent, error_model = "tc") f_saem_fomc_tc <- saem(f_mmkin_parent_tc["FOMC", ])
#> Running main SAEM algorithm -#> [1] "Fri Jun 11 10:57:03 2021" +#> [1] "Tue Jul 27 16:31:16 2021" #> .... #> Minimisation finished -#> [1] "Fri Jun 11 10:57:09 2021"
compare.saemix(f_saem_fomc$so, f_saem_fomc_tc$so) +#> [1] "Tue Jul 27 16:31:20 2021"
compare.saemix(f_saem_fomc$so, f_saem_fomc_tc$so)
#> Likelihoods calculated by importance sampling
#> AIC BIC #> 1 467.7096 464.9757 #> 2 469.6831 466.5586
@@ -381,15 +381,15 @@ using mmkin.

# four minutes f_saem_sfo_sfo <- saem(f_mmkin["SFO-SFO", ])
#> Running main SAEM algorithm -#> [1] "Fri Jun 11 10:57:12 2021" +#> [1] "Tue Jul 27 16:31:24 2021" #> .... #> Minimisation finished -#> [1] "Fri Jun 11 10:57:17 2021"
f_saem_dfop_sfo <- saem(f_mmkin["DFOP-SFO", ]) +#> [1] "Tue Jul 27 16:31:29 2021"
f_saem_dfop_sfo <- saem(f_mmkin["DFOP-SFO", ])
#> Running main SAEM algorithm -#> [1] "Fri Jun 11 10:57:17 2021" +#> [1] "Tue Jul 27 16:31:30 2021" #> .... #> Minimisation finished -#> [1] "Fri Jun 11 10:57:26 2021"
# We can use print, plot and summary methods to check the results +#> [1] "Tue Jul 27 16:31:38 2021"
# We can use print, plot and summary methods to check the results print(f_saem_dfop_sfo)
#> Kinetic nonlinear mixed-effects model fit by SAEM #> Structural model: @@ -405,35 +405,35 @@ using mmkin.

#> #> Likelihood computed by importance sampling #> AIC BIC logLik -#> 841.6 836.5 -407.8 +#> 839.6 834.6 -406.8 #> #> Fitted parameters: #> estimate lower upper -#> parent_0 93.76647 91.15312 96.3798 -#> log_k_A1 -6.13235 -8.45788 -3.8068 -#> f_parent_qlogis -0.97364 -1.36940 -0.5779 -#> log_k1 -2.53176 -3.80372 -1.2598 -#> log_k2 -3.58667 -5.29524 -1.8781 -#> g_qlogis 0.01238 -1.07968 1.1044 -#> Var.parent_0 7.61106 -3.34955 18.5717 -#> Var.log_k_A1 4.64679 -2.73133 12.0249 -#> Var.f_parent_qlogis 0.19693 -0.05498 0.4488 -#> Var.log_k1 2.01717 -0.51980 4.5542 -#> Var.log_k2 3.63412 -0.92964 8.1979 -#> Var.g_qlogis 0.20045 -0.97425 1.3751 -#> a.1 1.88335 1.66636 2.1004 -#> SD.parent_0 2.75881 0.77234 4.7453 -#> SD.log_k_A1 2.15564 0.44429 3.8670 -#> SD.f_parent_qlogis 0.44377 0.15994 0.7276 -#> SD.log_k1 1.42027 0.52714 2.3134 -#> SD.log_k2 1.90634 0.70934 3.1033 -#> SD.g_qlogis 0.44771 -0.86417 1.7596
plot(f_saem_dfop_sfo) +#> parent_0 93.80521 91.22487 96.3856 +#> log_k_A1 -6.06244 -8.26517 -3.8597 +#> f_parent_qlogis -0.97319 -1.37024 -0.5761 +#> log_k1 -2.55394 -4.00815 -1.0997 +#> log_k2 -3.47160 -5.18763 -1.7556 +#> g_qlogis -0.09324 -1.42737 1.2409 +#> Var.parent_0 7.42157 -3.25683 18.1000 +#> Var.log_k_A1 4.22850 -2.46339 10.9204 +#> Var.f_parent_qlogis 0.19803 -0.05541 0.4515 +#> Var.log_k1 2.28644 -0.86079 5.4337 +#> Var.log_k2 3.35626 -1.14639 7.8589 +#> Var.g_qlogis 0.20084 -1.32516 1.7268 +#> a.1 1.88399 1.66794 2.1000 +#> SD.parent_0 2.72425 0.76438 4.6841 +#> SD.log_k_A1 2.05633 0.42919 3.6835 +#> SD.f_parent_qlogis 0.44501 0.16025 0.7298 +#> SD.log_k1 1.51210 0.47142 2.5528 +#> SD.log_k2 1.83201 0.60313 3.0609 +#> SD.g_qlogis 0.44816 -1.25437 2.1507
plot(f_saem_dfop_sfo)
summary(f_saem_dfop_sfo, data = TRUE)
#> saemix version used for fitting: 3.1.9000 -#> mkin version used for pre-fitting: 1.0.5 +#> mkin version used for pre-fitting: 1.1.0 #> R version used for fitting: 4.1.0 -#> Date of fit: Fri Jun 11 10:57:27 2021 -#> Date of summary: Fri Jun 11 10:57:27 2021 +#> Date of fit: Tue Jul 27 16:31:39 2021 +#> Date of summary: Tue Jul 27 16:31:39 2021 #> #> Equations: #> d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 * @@ -448,13 +448,13 @@ using mmkin.

#> #> Model predictions using solution type analytical #> -#> Fitted in 9.712 s using 300, 100 iterations +#> Fitted in 9.479 s using 300, 100 iterations #> #> Variance model: Constant variance #> #> Mean of starting values for individual parameters: #> parent_0 log_k_A1 f_parent_qlogis log_k1 log_k2 -#> 93.8102 -9.7647 -0.9711 -1.8799 -4.2708 +#> 93.8102 -5.3734 -0.9711 -1.8799 -4.2708 #> g_qlogis #> 0.1356 #> @@ -465,46 +465,46 @@ using mmkin.

#> #> Likelihood computed by importance sampling #> AIC BIC logLik -#> 841.6 836.5 -407.8 +#> 839.6 834.6 -406.8 #> #> Optimised parameters: #> est. lower upper -#> parent_0 93.76647 91.153 96.3798 -#> log_k_A1 -6.13235 -8.458 -3.8068 -#> f_parent_qlogis -0.97364 -1.369 -0.5779 -#> log_k1 -2.53176 -3.804 -1.2598 -#> log_k2 -3.58667 -5.295 -1.8781 -#> g_qlogis 0.01238 -1.080 1.1044 +#> parent_0 93.80521 91.225 96.3856 +#> log_k_A1 -6.06244 -8.265 -3.8597 +#> f_parent_qlogis -0.97319 -1.370 -0.5761 +#> log_k1 -2.55394 -4.008 -1.0997 +#> log_k2 -3.47160 -5.188 -1.7556 +#> g_qlogis -0.09324 -1.427 1.2409 #> #> Correlation: #> prnt_0 lg__A1 f_prn_ log_k1 log_k2 -#> log_k_A1 -0.013 -#> f_parent_qlogis -0.025 0.050 -#> log_k1 0.030 0.000 -0.005 -#> log_k2 0.010 0.005 -0.003 0.032 -#> g_qlogis -0.063 -0.015 0.010 -0.167 -0.177 +#> log_k_A1 -0.014 +#> f_parent_qlogis -0.025 0.054 +#> log_k1 0.027 -0.003 -0.005 +#> log_k2 0.011 0.005 -0.002 -0.070 +#> g_qlogis -0.067 -0.009 0.011 -0.189 -0.171 #> #> Random effects: #> est. lower upper -#> SD.parent_0 2.7588 0.7723 4.7453 -#> SD.log_k_A1 2.1556 0.4443 3.8670 -#> SD.f_parent_qlogis 0.4438 0.1599 0.7276 -#> SD.log_k1 1.4203 0.5271 2.3134 -#> SD.log_k2 1.9063 0.7093 3.1033 -#> SD.g_qlogis 0.4477 -0.8642 1.7596 +#> SD.parent_0 2.7243 0.7644 4.6841 +#> SD.log_k_A1 2.0563 0.4292 3.6835 +#> SD.f_parent_qlogis 0.4450 0.1602 0.7298 +#> SD.log_k1 1.5121 0.4714 2.5528 +#> SD.log_k2 1.8320 0.6031 3.0609 +#> SD.g_qlogis 0.4482 -1.2544 2.1507 #> #> Variance model: #> est. lower upper -#> a.1 1.883 1.666 2.1 +#> a.1 1.884 1.668 2.1 #> #> Backtransformed parameters: #> est. lower upper -#> parent_0 93.766473 9.115e+01 96.37983 -#> k_A1 0.002171 2.122e-04 0.02222 -#> f_parent_to_A1 0.274156 2.027e-01 0.35942 -#> k1 0.079519 2.229e-02 0.28371 -#> k2 0.027691 5.015e-03 0.15288 -#> g 0.503095 2.536e-01 0.75109 +#> parent_0 93.805214 9.122e+01 96.38556 +#> k_A1 0.002329 2.573e-04 0.02107 +#> f_parent_to_A1 0.274245 2.026e-01 0.35982 +#> k1 0.077775 1.817e-02 0.33296 +#> k2 0.031067 5.585e-03 0.17281 +#> g 0.476707 1.935e-01 0.77572 #> #> Resulting formation fractions: #> ff @@ -512,182 +512,182 @@ using mmkin.

#> parent_sink 0.7258 #> #> Estimated disappearance times: -#> DT50 DT90 DT50back DT50_k1 DT50_k2 -#> parent 14.11 59.53 17.92 8.717 25.03 -#> A1 319.21 1060.38 NA NA NA +#> DT50 DT90 DT50back DT50_k1 DT50_k2 +#> parent 13.96 55.4 16.68 8.912 22.31 +#> A1 297.65 988.8 NA NA NA #> #> Data: -#> ds name time observed predicted residual std standardized -#> Dataset 6 parent 0 97.2 95.79523 1.40477 1.883 0.745888 -#> Dataset 6 parent 0 96.4 95.79523 0.60477 1.883 0.321114 -#> Dataset 6 parent 3 71.1 71.32042 -0.22042 1.883 -0.117035 -#> Dataset 6 parent 3 69.2 71.32042 -2.12042 1.883 -1.125873 -#> Dataset 6 parent 6 58.1 56.45256 1.64744 1.883 0.874739 -#> Dataset 6 parent 6 56.6 56.45256 0.14744 1.883 0.078288 -#> Dataset 6 parent 10 44.4 44.48523 -0.08523 1.883 -0.045257 -#> Dataset 6 parent 10 43.4 44.48523 -1.08523 1.883 -0.576224 -#> Dataset 6 parent 20 33.3 29.75774 3.54226 1.883 1.880826 -#> Dataset 6 parent 20 29.2 29.75774 -0.55774 1.883 -0.296141 -#> Dataset 6 parent 34 17.6 19.35710 -1.75710 1.883 -0.932966 -#> Dataset 6 parent 34 18.0 19.35710 -1.35710 1.883 -0.720579 -#> Dataset 6 parent 55 10.5 10.48443 0.01557 1.883 0.008266 -#> Dataset 6 parent 55 9.3 10.48443 -1.18443 1.883 -0.628895 -#> Dataset 6 parent 90 4.5 3.78622 0.71378 1.883 0.378995 -#> Dataset 6 parent 90 4.7 3.78622 0.91378 1.883 0.485188 -#> Dataset 6 parent 112 3.0 1.99608 1.00392 1.883 0.533048 -#> Dataset 6 parent 112 3.4 1.99608 1.40392 1.883 0.745435 -#> Dataset 6 parent 132 2.3 1.11539 1.18461 1.883 0.628990 -#> Dataset 6 parent 132 2.7 1.11539 1.58461 1.883 0.841377 -#> Dataset 6 A1 3 4.3 4.66132 -0.36132 1.883 -0.191849 -#> Dataset 6 A1 3 4.6 4.66132 -0.06132 1.883 -0.032559 -#> Dataset 6 A1 6 7.0 7.41087 -0.41087 1.883 -0.218157 -#> Dataset 6 A1 6 7.2 7.41087 -0.21087 1.883 -0.111964 -#> Dataset 6 A1 10 8.2 9.50878 -1.30878 1.883 -0.694921 -#> Dataset 6 A1 10 8.0 9.50878 -1.50878 1.883 -0.801114 -#> Dataset 6 A1 20 11.0 11.69902 -0.69902 1.883 -0.371157 -#> Dataset 6 A1 20 13.7 11.69902 2.00098 1.883 1.062455 -#> Dataset 6 A1 34 11.5 12.67784 -1.17784 1.883 -0.625396 -#> Dataset 6 A1 34 12.7 12.67784 0.02216 1.883 0.011765 -#> Dataset 6 A1 55 14.9 12.78556 2.11444 1.883 1.122701 -#> Dataset 6 A1 55 14.5 12.78556 1.71444 1.883 0.910314 -#> Dataset 6 A1 90 12.1 11.52954 0.57046 1.883 0.302898 -#> Dataset 6 A1 90 12.3 11.52954 0.77046 1.883 0.409092 -#> Dataset 6 A1 112 9.9 10.43825 -0.53825 1.883 -0.285793 -#> Dataset 6 A1 112 10.2 10.43825 -0.23825 1.883 -0.126503 -#> Dataset 6 A1 132 8.8 9.42830 -0.62830 1.883 -0.333609 -#> Dataset 6 A1 132 7.8 9.42830 -1.62830 1.883 -0.864577 -#> Dataset 7 parent 0 93.6 90.91477 2.68523 1.883 1.425772 -#> Dataset 7 parent 0 92.3 90.91477 1.38523 1.883 0.735514 -#> Dataset 7 parent 3 87.0 84.76874 2.23126 1.883 1.184726 -#> Dataset 7 parent 3 82.2 84.76874 -2.56874 1.883 -1.363919 -#> Dataset 7 parent 7 74.0 77.62735 -3.62735 1.883 -1.926003 -#> Dataset 7 parent 7 73.9 77.62735 -3.72735 1.883 -1.979100 -#> Dataset 7 parent 14 64.2 67.52266 -3.32266 1.883 -1.764224 -#> Dataset 7 parent 14 69.5 67.52266 1.97734 1.883 1.049904 -#> Dataset 7 parent 30 54.0 52.41949 1.58051 1.883 0.839202 -#> Dataset 7 parent 30 54.6 52.41949 2.18051 1.883 1.157783 -#> Dataset 7 parent 60 41.1 39.36582 1.73418 1.883 0.920794 -#> Dataset 7 parent 60 38.4 39.36582 -0.96582 1.883 -0.512818 -#> Dataset 7 parent 90 32.5 33.75388 -1.25388 1.883 -0.665771 -#> Dataset 7 parent 90 35.5 33.75388 1.74612 1.883 0.927132 -#> Dataset 7 parent 120 28.1 30.41716 -2.31716 1.883 -1.230335 -#> Dataset 7 parent 120 29.0 30.41716 -1.41716 1.883 -0.752464 -#> Dataset 7 parent 180 26.5 25.66046 0.83954 1.883 0.445767 -#> Dataset 7 parent 180 27.6 25.66046 1.93954 1.883 1.029832 -#> Dataset 7 A1 3 3.9 2.69355 1.20645 1.883 0.640585 -#> Dataset 7 A1 3 3.1 2.69355 0.40645 1.883 0.215811 -#> Dataset 7 A1 7 6.9 5.81807 1.08193 1.883 0.574470 -#> Dataset 7 A1 7 6.6 5.81807 0.78193 1.883 0.415180 -#> Dataset 7 A1 14 10.4 10.22529 0.17471 1.883 0.092767 -#> Dataset 7 A1 14 8.3 10.22529 -1.92529 1.883 -1.022265 -#> Dataset 7 A1 30 14.4 16.75484 -2.35484 1.883 -1.250345 -#> Dataset 7 A1 30 13.7 16.75484 -3.05484 1.883 -1.622022 -#> Dataset 7 A1 60 22.1 22.22540 -0.12540 1.883 -0.066583 -#> Dataset 7 A1 60 22.3 22.22540 0.07460 1.883 0.039610 -#> Dataset 7 A1 90 27.5 24.38799 3.11201 1.883 1.652376 -#> Dataset 7 A1 90 25.4 24.38799 1.01201 1.883 0.537344 -#> Dataset 7 A1 120 28.0 25.53294 2.46706 1.883 1.309927 -#> Dataset 7 A1 120 26.6 25.53294 1.06706 1.883 0.566572 -#> Dataset 7 A1 180 25.8 26.94943 -1.14943 1.883 -0.610309 -#> Dataset 7 A1 180 25.3 26.94943 -1.64943 1.883 -0.875793 -#> Dataset 8 parent 0 91.9 91.53246 0.36754 1.883 0.195151 -#> Dataset 8 parent 0 90.8 91.53246 -0.73246 1.883 -0.388914 -#> Dataset 8 parent 1 64.9 67.73197 -2.83197 1.883 -1.503686 -#> Dataset 8 parent 1 66.2 67.73197 -1.53197 1.883 -0.813428 -#> Dataset 8 parent 3 43.5 41.58448 1.91552 1.883 1.017081 -#> Dataset 8 parent 3 44.1 41.58448 2.51552 1.883 1.335662 -#> Dataset 8 parent 8 18.3 19.62286 -1.32286 1.883 -0.702395 -#> Dataset 8 parent 8 18.1 19.62286 -1.52286 1.883 -0.808588 -#> Dataset 8 parent 14 10.2 10.77819 -0.57819 1.883 -0.306999 -#> Dataset 8 parent 14 10.8 10.77819 0.02181 1.883 0.011582 -#> Dataset 8 parent 27 4.9 3.26977 1.63023 1.883 0.865599 -#> Dataset 8 parent 27 3.3 3.26977 0.03023 1.883 0.016051 -#> Dataset 8 parent 48 1.6 0.48024 1.11976 1.883 0.594557 -#> Dataset 8 parent 48 1.5 0.48024 1.01976 1.883 0.541460 -#> Dataset 8 parent 70 1.1 0.06438 1.03562 1.883 0.549881 -#> Dataset 8 parent 70 0.9 0.06438 0.83562 1.883 0.443688 -#> Dataset 8 A1 1 9.6 7.61539 1.98461 1.883 1.053761 -#> Dataset 8 A1 1 7.7 7.61539 0.08461 1.883 0.044923 -#> Dataset 8 A1 3 15.0 15.47954 -0.47954 1.883 -0.254622 -#> Dataset 8 A1 3 15.1 15.47954 -0.37954 1.883 -0.201525 -#> Dataset 8 A1 8 21.2 20.22616 0.97384 1.883 0.517075 -#> Dataset 8 A1 8 21.1 20.22616 0.87384 1.883 0.463979 -#> Dataset 8 A1 14 19.7 20.00067 -0.30067 1.883 -0.159645 -#> Dataset 8 A1 14 18.9 20.00067 -1.10067 1.883 -0.584419 -#> Dataset 8 A1 27 17.5 16.38142 1.11858 1.883 0.593928 -#> Dataset 8 A1 27 15.9 16.38142 -0.48142 1.883 -0.255620 -#> Dataset 8 A1 48 9.5 10.25357 -0.75357 1.883 -0.400124 -#> Dataset 8 A1 48 9.8 10.25357 -0.45357 1.883 -0.240833 -#> Dataset 8 A1 70 6.2 5.95728 0.24272 1.883 0.128878 -#> Dataset 8 A1 70 6.1 5.95728 0.14272 1.883 0.075781 -#> Dataset 9 parent 0 99.8 97.47274 2.32726 1.883 1.235697 -#> Dataset 9 parent 0 98.3 97.47274 0.82726 1.883 0.439246 -#> Dataset 9 parent 1 77.1 79.72257 -2.62257 1.883 -1.392500 -#> Dataset 9 parent 1 77.2 79.72257 -2.52257 1.883 -1.339404 -#> Dataset 9 parent 3 59.0 56.26497 2.73503 1.883 1.452212 -#> Dataset 9 parent 3 58.1 56.26497 1.83503 1.883 0.974342 -#> Dataset 9 parent 8 27.4 31.66985 -4.26985 1.883 -2.267151 -#> Dataset 9 parent 8 29.2 31.66985 -2.46985 1.883 -1.311410 -#> Dataset 9 parent 14 19.1 22.39789 -3.29789 1.883 -1.751071 -#> Dataset 9 parent 14 29.6 22.39789 7.20211 1.883 3.824090 -#> Dataset 9 parent 27 10.1 14.21758 -4.11758 1.883 -2.186301 -#> Dataset 9 parent 27 18.2 14.21758 3.98242 1.883 2.114537 -#> Dataset 9 parent 48 4.5 7.27921 -2.77921 1.883 -1.475671 -#> Dataset 9 parent 48 9.1 7.27921 1.82079 1.883 0.966780 -#> Dataset 9 parent 70 2.3 3.61470 -1.31470 1.883 -0.698065 -#> Dataset 9 parent 70 2.9 3.61470 -0.71470 1.883 -0.379485 -#> Dataset 9 parent 91 2.0 1.85303 0.14697 1.883 0.078038 -#> Dataset 9 parent 91 1.8 1.85303 -0.05303 1.883 -0.028155 -#> Dataset 9 parent 120 2.0 0.73645 1.26355 1.883 0.670906 -#> Dataset 9 parent 120 2.2 0.73645 1.46355 1.883 0.777099 -#> Dataset 9 A1 1 4.2 3.87843 0.32157 1.883 0.170743 -#> Dataset 9 A1 1 3.9 3.87843 0.02157 1.883 0.011453 -#> Dataset 9 A1 3 7.4 8.90535 -1.50535 1.883 -0.799291 -#> Dataset 9 A1 3 7.9 8.90535 -1.00535 1.883 -0.533807 -#> Dataset 9 A1 8 14.5 13.75172 0.74828 1.883 0.397312 -#> Dataset 9 A1 8 13.7 13.75172 -0.05172 1.883 -0.027462 -#> Dataset 9 A1 14 14.2 14.97541 -0.77541 1.883 -0.411715 -#> Dataset 9 A1 14 12.2 14.97541 -2.77541 1.883 -1.473650 -#> Dataset 9 A1 27 13.7 14.94728 -1.24728 1.883 -0.662266 -#> Dataset 9 A1 27 13.2 14.94728 -1.74728 1.883 -0.927750 -#> Dataset 9 A1 48 13.6 13.66078 -0.06078 1.883 -0.032272 -#> Dataset 9 A1 48 15.4 13.66078 1.73922 1.883 0.923470 -#> Dataset 9 A1 70 10.4 11.84899 -1.44899 1.883 -0.769365 -#> Dataset 9 A1 70 11.6 11.84899 -0.24899 1.883 -0.132204 -#> Dataset 9 A1 91 10.0 10.09177 -0.09177 1.883 -0.048727 -#> Dataset 9 A1 91 9.5 10.09177 -0.59177 1.883 -0.314211 -#> Dataset 9 A1 120 9.1 7.91379 1.18621 1.883 0.629841 -#> Dataset 9 A1 120 9.0 7.91379 1.08621 1.883 0.576744 -#> Dataset 10 parent 0 96.1 93.65257 2.44743 1.883 1.299505 -#> Dataset 10 parent 0 94.3 93.65257 0.64743 1.883 0.343763 -#> Dataset 10 parent 8 73.9 77.85906 -3.95906 1.883 -2.102132 -#> Dataset 10 parent 8 73.9 77.85906 -3.95906 1.883 -2.102132 -#> Dataset 10 parent 14 69.4 70.17143 -0.77143 1.883 -0.409606 -#> Dataset 10 parent 14 73.1 70.17143 2.92857 1.883 1.554974 -#> Dataset 10 parent 21 65.6 63.99188 1.60812 1.883 0.853862 -#> Dataset 10 parent 21 65.3 63.99188 1.30812 1.883 0.694572 -#> Dataset 10 parent 41 55.9 54.64292 1.25708 1.883 0.667467 -#> Dataset 10 parent 41 54.4 54.64292 -0.24292 1.883 -0.128985 -#> Dataset 10 parent 63 47.0 49.61303 -2.61303 1.883 -1.387433 -#> Dataset 10 parent 63 49.3 49.61303 -0.31303 1.883 -0.166207 -#> Dataset 10 parent 91 44.7 45.17807 -0.47807 1.883 -0.253839 -#> Dataset 10 parent 91 46.7 45.17807 1.52193 1.883 0.808096 -#> Dataset 10 parent 120 42.1 41.27970 0.82030 1.883 0.435552 -#> Dataset 10 parent 120 41.3 41.27970 0.02030 1.883 0.010778 -#> Dataset 10 A1 8 3.3 3.99294 -0.69294 1.883 -0.367929 -#> Dataset 10 A1 8 3.4 3.99294 -0.59294 1.883 -0.314832 -#> Dataset 10 A1 14 3.9 5.92756 -2.02756 1.883 -1.076570 -#> Dataset 10 A1 14 2.9 5.92756 -3.02756 1.883 -1.607538 -#> Dataset 10 A1 21 6.4 7.47313 -1.07313 1.883 -0.569799 -#> Dataset 10 A1 21 7.2 7.47313 -0.27313 1.883 -0.145025 -#> Dataset 10 A1 41 9.1 9.76819 -0.66819 1.883 -0.354786 -#> Dataset 10 A1 41 8.5 9.76819 -1.26819 1.883 -0.673367 -#> Dataset 10 A1 63 11.7 10.94733 0.75267 1.883 0.399643 -#> Dataset 10 A1 63 12.0 10.94733 1.05267 1.883 0.558933 -#> Dataset 10 A1 91 13.3 11.93773 1.36227 1.883 0.723321 -#> Dataset 10 A1 91 13.2 11.93773 1.26227 1.883 0.670224 -#> Dataset 10 A1 120 14.3 12.77666 1.52334 1.883 0.808847 -#> Dataset 10 A1 120 12.1 12.77666 -0.67666 1.883 -0.359282
+#> ds name time observed predicted residual std standardized +#> Dataset 6 parent 0 97.2 95.75408 1.445920 1.884 0.767479 +#> Dataset 6 parent 0 96.4 95.75408 0.645920 1.884 0.342847 +#> Dataset 6 parent 3 71.1 71.22466 -0.124662 1.884 -0.066169 +#> Dataset 6 parent 3 69.2 71.22466 -2.024662 1.884 -1.074669 +#> Dataset 6 parent 6 58.1 56.42290 1.677100 1.884 0.890187 +#> Dataset 6 parent 6 56.6 56.42290 0.177100 1.884 0.094003 +#> Dataset 6 parent 10 44.4 44.55255 -0.152554 1.884 -0.080974 +#> Dataset 6 parent 10 43.4 44.55255 -1.152554 1.884 -0.611763 +#> Dataset 6 parent 20 33.3 29.88846 3.411537 1.884 1.810807 +#> Dataset 6 parent 20 29.2 29.88846 -0.688463 1.884 -0.365429 +#> Dataset 6 parent 34 17.6 19.40826 -1.808260 1.884 -0.959805 +#> Dataset 6 parent 34 18.0 19.40826 -1.408260 1.884 -0.747489 +#> Dataset 6 parent 55 10.5 10.45560 0.044398 1.884 0.023566 +#> Dataset 6 parent 55 9.3 10.45560 -1.155602 1.884 -0.613381 +#> Dataset 6 parent 90 4.5 3.74026 0.759744 1.884 0.403264 +#> Dataset 6 parent 90 4.7 3.74026 0.959744 1.884 0.509421 +#> Dataset 6 parent 112 3.0 1.96015 1.039853 1.884 0.551943 +#> Dataset 6 parent 112 3.4 1.96015 1.439853 1.884 0.764258 +#> Dataset 6 parent 132 2.3 1.08940 1.210603 1.884 0.642575 +#> Dataset 6 parent 132 2.7 1.08940 1.610603 1.884 0.854890 +#> Dataset 6 A1 3 4.3 4.75601 -0.456009 1.884 -0.242045 +#> Dataset 6 A1 3 4.6 4.75601 -0.156009 1.884 -0.082808 +#> Dataset 6 A1 6 7.0 7.53839 -0.538391 1.884 -0.285772 +#> Dataset 6 A1 6 7.2 7.53839 -0.338391 1.884 -0.179614 +#> Dataset 6 A1 10 8.2 9.64728 -1.447276 1.884 -0.768198 +#> Dataset 6 A1 10 8.0 9.64728 -1.647276 1.884 -0.874356 +#> Dataset 6 A1 20 11.0 11.83954 -0.839545 1.884 -0.445621 +#> Dataset 6 A1 20 13.7 11.83954 1.860455 1.884 0.987509 +#> Dataset 6 A1 34 11.5 12.81233 -1.312327 1.884 -0.696569 +#> Dataset 6 A1 34 12.7 12.81233 -0.112327 1.884 -0.059622 +#> Dataset 6 A1 55 14.9 12.87919 2.020809 1.884 1.072624 +#> Dataset 6 A1 55 14.5 12.87919 1.620809 1.884 0.860308 +#> Dataset 6 A1 90 12.1 11.52464 0.575364 1.884 0.305397 +#> Dataset 6 A1 90 12.3 11.52464 0.775364 1.884 0.411555 +#> Dataset 6 A1 112 9.9 10.37694 -0.476938 1.884 -0.253153 +#> Dataset 6 A1 112 10.2 10.37694 -0.176938 1.884 -0.093917 +#> Dataset 6 A1 132 8.8 9.32474 -0.524742 1.884 -0.278528 +#> Dataset 6 A1 132 7.8 9.32474 -1.524742 1.884 -0.809317 +#> Dataset 7 parent 0 93.6 90.16918 3.430816 1.884 1.821040 +#> Dataset 7 parent 0 92.3 90.16918 2.130816 1.884 1.131014 +#> Dataset 7 parent 3 87.0 84.05442 2.945583 1.884 1.563483 +#> Dataset 7 parent 3 82.2 84.05442 -1.854417 1.884 -0.984304 +#> Dataset 7 parent 7 74.0 77.00960 -3.009596 1.884 -1.597461 +#> Dataset 7 parent 7 73.9 77.00960 -3.109596 1.884 -1.650540 +#> Dataset 7 parent 14 64.2 67.15684 -2.956840 1.884 -1.569459 +#> Dataset 7 parent 14 69.5 67.15684 2.343160 1.884 1.243724 +#> Dataset 7 parent 30 54.0 52.66290 1.337101 1.884 0.709719 +#> Dataset 7 parent 30 54.6 52.66290 1.937101 1.884 1.028192 +#> Dataset 7 parent 60 41.1 40.04995 1.050050 1.884 0.557355 +#> Dataset 7 parent 60 38.4 40.04995 -1.649950 1.884 -0.875775 +#> Dataset 7 parent 90 32.5 34.09675 -1.596746 1.884 -0.847535 +#> Dataset 7 parent 90 35.5 34.09675 1.403254 1.884 0.744832 +#> Dataset 7 parent 120 28.1 30.12281 -2.022814 1.884 -1.073688 +#> Dataset 7 parent 120 29.0 30.12281 -1.122814 1.884 -0.595977 +#> Dataset 7 parent 180 26.5 24.10888 2.391123 1.884 1.269182 +#> Dataset 7 parent 180 27.6 24.10888 3.491123 1.884 1.853050 +#> Dataset 7 A1 3 3.9 2.77684 1.123161 1.884 0.596161 +#> Dataset 7 A1 3 3.1 2.77684 0.323161 1.884 0.171530 +#> Dataset 7 A1 7 6.9 5.96705 0.932950 1.884 0.495200 +#> Dataset 7 A1 7 6.6 5.96705 0.632950 1.884 0.335963 +#> Dataset 7 A1 14 10.4 10.40535 -0.005348 1.884 -0.002839 +#> Dataset 7 A1 14 8.3 10.40535 -2.105348 1.884 -1.117496 +#> Dataset 7 A1 30 14.4 16.83722 -2.437216 1.884 -1.293648 +#> Dataset 7 A1 30 13.7 16.83722 -3.137216 1.884 -1.665200 +#> Dataset 7 A1 60 22.1 22.15018 -0.050179 1.884 -0.026635 +#> Dataset 7 A1 60 22.3 22.15018 0.149821 1.884 0.079523 +#> Dataset 7 A1 90 27.5 24.36286 3.137143 1.884 1.665161 +#> Dataset 7 A1 90 25.4 24.36286 1.037143 1.884 0.550504 +#> Dataset 7 A1 120 28.0 25.64064 2.359361 1.884 1.252323 +#> Dataset 7 A1 120 26.6 25.64064 0.959361 1.884 0.509218 +#> Dataset 7 A1 180 25.8 27.25486 -1.454858 1.884 -0.772223 +#> Dataset 7 A1 180 25.3 27.25486 -1.954858 1.884 -1.037617 +#> Dataset 8 parent 0 91.9 91.72652 0.173479 1.884 0.092081 +#> Dataset 8 parent 0 90.8 91.72652 -0.926521 1.884 -0.491787 +#> Dataset 8 parent 1 64.9 67.22810 -2.328104 1.884 -1.235732 +#> Dataset 8 parent 1 66.2 67.22810 -1.028104 1.884 -0.545706 +#> Dataset 8 parent 3 43.5 41.46375 2.036251 1.884 1.080820 +#> Dataset 8 parent 3 44.1 41.46375 2.636251 1.884 1.399293 +#> Dataset 8 parent 8 18.3 19.83597 -1.535968 1.884 -0.815275 +#> Dataset 8 parent 8 18.1 19.83597 -1.735968 1.884 -0.921433 +#> Dataset 8 parent 14 10.2 10.34793 -0.147927 1.884 -0.078518 +#> Dataset 8 parent 14 10.8 10.34793 0.452073 1.884 0.239956 +#> Dataset 8 parent 27 4.9 2.67641 2.223595 1.884 1.180260 +#> Dataset 8 parent 27 3.3 2.67641 0.623595 1.884 0.330997 +#> Dataset 8 parent 48 1.6 0.30218 1.297822 1.884 0.688870 +#> Dataset 8 parent 48 1.5 0.30218 1.197822 1.884 0.635791 +#> Dataset 8 parent 70 1.1 0.03075 1.069248 1.884 0.567545 +#> Dataset 8 parent 70 0.9 0.03075 0.869248 1.884 0.461388 +#> Dataset 8 A1 1 9.6 7.74066 1.859342 1.884 0.986918 +#> Dataset 8 A1 1 7.7 7.74066 -0.040658 1.884 -0.021581 +#> Dataset 8 A1 3 15.0 15.37549 -0.375495 1.884 -0.199309 +#> Dataset 8 A1 3 15.1 15.37549 -0.275495 1.884 -0.146230 +#> Dataset 8 A1 8 21.2 19.95900 1.241003 1.884 0.658711 +#> Dataset 8 A1 8 21.1 19.95900 1.141003 1.884 0.605632 +#> Dataset 8 A1 14 19.7 19.92898 -0.228978 1.884 -0.121539 +#> Dataset 8 A1 14 18.9 19.92898 -1.028978 1.884 -0.546170 +#> Dataset 8 A1 27 17.5 16.34046 1.159536 1.884 0.615469 +#> Dataset 8 A1 27 15.9 16.34046 -0.440464 1.884 -0.233793 +#> Dataset 8 A1 48 9.5 10.12131 -0.621313 1.884 -0.329786 +#> Dataset 8 A1 48 9.8 10.12131 -0.321313 1.884 -0.170550 +#> Dataset 8 A1 70 6.2 5.84753 0.352469 1.884 0.187087 +#> Dataset 8 A1 70 6.1 5.84753 0.252469 1.884 0.134008 +#> Dataset 9 parent 0 99.8 98.23600 1.564002 1.884 0.830155 +#> Dataset 9 parent 0 98.3 98.23600 0.064002 1.884 0.033972 +#> Dataset 9 parent 1 77.1 79.68007 -2.580074 1.884 -1.369475 +#> Dataset 9 parent 1 77.2 79.68007 -2.480074 1.884 -1.316396 +#> Dataset 9 parent 3 59.0 55.81142 3.188584 1.884 1.692465 +#> Dataset 9 parent 3 58.1 55.81142 2.288584 1.884 1.214755 +#> Dataset 9 parent 8 27.4 31.81995 -4.419948 1.884 -2.346060 +#> Dataset 9 parent 8 29.2 31.81995 -2.619948 1.884 -1.390640 +#> Dataset 9 parent 14 19.1 22.78328 -3.683282 1.884 -1.955046 +#> Dataset 9 parent 14 29.6 22.78328 6.816718 1.884 3.618240 +#> Dataset 9 parent 27 10.1 14.15172 -4.051720 1.884 -2.150609 +#> Dataset 9 parent 27 18.2 14.15172 4.048280 1.884 2.148783 +#> Dataset 9 parent 48 4.5 6.86094 -2.360941 1.884 -1.253162 +#> Dataset 9 parent 48 9.1 6.86094 2.239059 1.884 1.188468 +#> Dataset 9 parent 70 2.3 3.21580 -0.915798 1.884 -0.486096 +#> Dataset 9 parent 70 2.9 3.21580 -0.315798 1.884 -0.167622 +#> Dataset 9 parent 91 2.0 1.56010 0.439897 1.884 0.233492 +#> Dataset 9 parent 91 1.8 1.56010 0.239897 1.884 0.127335 +#> Dataset 9 parent 120 2.0 0.57458 1.425424 1.884 0.756600 +#> Dataset 9 parent 120 2.2 0.57458 1.625424 1.884 0.862757 +#> Dataset 9 A1 1 4.2 4.01796 0.182037 1.884 0.096623 +#> Dataset 9 A1 1 3.9 4.01796 -0.117963 1.884 -0.062613 +#> Dataset 9 A1 3 7.4 9.08527 -1.685270 1.884 -0.894523 +#> Dataset 9 A1 3 7.9 9.08527 -1.185270 1.884 -0.629129 +#> Dataset 9 A1 8 14.5 13.75054 0.749457 1.884 0.397804 +#> Dataset 9 A1 8 13.7 13.75054 -0.050543 1.884 -0.026827 +#> Dataset 9 A1 14 14.2 14.91180 -0.711804 1.884 -0.377818 +#> Dataset 9 A1 14 12.2 14.91180 -2.711804 1.884 -1.439396 +#> Dataset 9 A1 27 13.7 14.97813 -1.278129 1.884 -0.678417 +#> Dataset 9 A1 27 13.2 14.97813 -1.778129 1.884 -0.943812 +#> Dataset 9 A1 48 13.6 13.75574 -0.155745 1.884 -0.082668 +#> Dataset 9 A1 48 15.4 13.75574 1.644255 1.884 0.872753 +#> Dataset 9 A1 70 10.4 11.92861 -1.528608 1.884 -0.811369 +#> Dataset 9 A1 70 11.6 11.92861 -0.328608 1.884 -0.174422 +#> Dataset 9 A1 91 10.0 10.14395 -0.143947 1.884 -0.076405 +#> Dataset 9 A1 91 9.5 10.14395 -0.643947 1.884 -0.341800 +#> Dataset 9 A1 120 9.1 7.93869 1.161307 1.884 0.616409 +#> Dataset 9 A1 120 9.0 7.93869 1.061307 1.884 0.563330 +#> Dataset 10 parent 0 96.1 93.65914 2.440862 1.884 1.295583 +#> Dataset 10 parent 0 94.3 93.65914 0.640862 1.884 0.340163 +#> Dataset 10 parent 8 73.9 77.83065 -3.930647 1.884 -2.086344 +#> Dataset 10 parent 8 73.9 77.83065 -3.930647 1.884 -2.086344 +#> Dataset 10 parent 14 69.4 70.15862 -0.758619 1.884 -0.402667 +#> Dataset 10 parent 14 73.1 70.15862 2.941381 1.884 1.561253 +#> Dataset 10 parent 21 65.6 64.00840 1.591600 1.884 0.844804 +#> Dataset 10 parent 21 65.3 64.00840 1.291600 1.884 0.685567 +#> Dataset 10 parent 41 55.9 54.71192 1.188076 1.884 0.630618 +#> Dataset 10 parent 41 54.4 54.71192 -0.311924 1.884 -0.165566 +#> Dataset 10 parent 63 47.0 49.66775 -2.667747 1.884 -1.416011 +#> Dataset 10 parent 63 49.3 49.66775 -0.367747 1.884 -0.195196 +#> Dataset 10 parent 91 44.7 45.17119 -0.471186 1.884 -0.250101 +#> Dataset 10 parent 91 46.7 45.17119 1.528814 1.884 0.811478 +#> Dataset 10 parent 120 42.1 41.20430 0.895699 1.884 0.475427 +#> Dataset 10 parent 120 41.3 41.20430 0.095699 1.884 0.050796 +#> Dataset 10 A1 8 3.3 4.00920 -0.709204 1.884 -0.376438 +#> Dataset 10 A1 8 3.4 4.00920 -0.609204 1.884 -0.323359 +#> Dataset 10 A1 14 3.9 5.94267 -2.042668 1.884 -1.084226 +#> Dataset 10 A1 14 2.9 5.94267 -3.042668 1.884 -1.615015 +#> Dataset 10 A1 21 6.4 7.48222 -1.082219 1.884 -0.574430 +#> Dataset 10 A1 21 7.2 7.48222 -0.282219 1.884 -0.149799 +#> Dataset 10 A1 41 9.1 9.76246 -0.662460 1.884 -0.351626 +#> Dataset 10 A1 41 8.5 9.76246 -1.262460 1.884 -0.670100 +#> Dataset 10 A1 63 11.7 10.93972 0.760278 1.884 0.403547 +#> Dataset 10 A1 63 12.0 10.93972 1.060278 1.884 0.562784 +#> Dataset 10 A1 91 13.3 11.93666 1.363337 1.884 0.723645 +#> Dataset 10 A1 91 13.2 11.93666 1.263337 1.884 0.670566 +#> Dataset 10 A1 120 14.3 12.78218 1.517817 1.884 0.805641 +#> Dataset 10 A1 120 12.1 12.78218 -0.682183 1.884 -0.362095
# The following takes about 6 minutes #f_saem_dfop_sfo_deSolve <- saem(f_mmkin["DFOP-SFO", ], solution_type = "deSolve", # control = list(nbiter.saemix = c(200, 80), nbdisplay = 10)) -- cgit v1.2.1