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-rw-r--r--docs/dev/reference/summary.nlme.mmkin.html226
1 files changed, 112 insertions, 114 deletions
diff --git a/docs/dev/reference/summary.nlme.mmkin.html b/docs/dev/reference/summary.nlme.mmkin.html
index 2aeadc46..b2f6624a 100644
--- a/docs/dev/reference/summary.nlme.mmkin.html
+++ b/docs/dev/reference/summary.nlme.mmkin.html
@@ -76,7 +76,7 @@ endpoints such as formation fractions and DT50 values. Optionally
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../index.html">mkin</a>
- <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">0.9.50.4</span>
+ <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span>
</span>
</div>
@@ -125,7 +125,7 @@ endpoints such as formation fractions and DT50 values. Optionally
<ul class="nav navbar-nav navbar-right">
<li>
<a href="https://github.com/jranke/mkin/">
- <span class="fab fa fab fa-github fa-lg"></span>
+ <span class="fab fa-github fa-lg"></span>
</a>
</li>
@@ -263,12 +263,12 @@ José Pinheiro and Douglas Bates for the components inherited from nlme</p>
<span class='va'>f_mmkin</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mmkin.html'>mmkin</a></span><span class='op'>(</span><span class='st'>"SFO"</span>, <span class='va'>ds_sfo_syn</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span>, error_model <span class='op'>=</span> <span class='st'>"tc"</span>, cores <span class='op'>=</span> <span class='fl'>1</span><span class='op'>)</span>
</div><div class='output co'>#&gt; <span class='warning'>Warning: Optimisation did not converge:</span>
#&gt; <span class='warning'>iteration limit reached without convergence (10)</span></div><div class='input'><span class='va'>f_nlme</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/nlme/man/nlme.html'>nlme</a></span><span class='op'>(</span><span class='va'>f_mmkin</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='warning'>Warning: Iteration 1, LME step: nlminb() did not converge (code = 1). Do increase 'msMaxIter'!</span></div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>f_nlme</span>, data <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; nlme version used for fitting: 3.1.150.1
-#&gt; mkin version used for pre-fitting: 0.9.50.4
+</div><div class='output co'>#&gt; <span class='warning'>Warning: Iteration 4, LME step: nlminb() did not converge (code = 1). PORT message: false convergence (8)</span></div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>f_nlme</span>, data <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
+</div><div class='output co'>#&gt; nlme version used for fitting: 3.1.152
+#&gt; mkin version used for pre-fitting: 1.0.3.9000
#&gt; R version used for fitting: 4.0.3
-#&gt; Date of fit: Mon Nov 30 16:01:23 2020
-#&gt; Date of summary: Mon Nov 30 16:01:23 2020
+#&gt; Date of fit: Mon Feb 15 17:13:12 2021
+#&gt; Date of summary: Mon Feb 15 17:13:12 2021
#&gt;
#&gt; Equations:
#&gt; d_parent/dt = - k_parent * parent
@@ -278,148 +278,146 @@ José Pinheiro and Douglas Bates for the components inherited from nlme</p>
#&gt;
#&gt; Model predictions using solution type analytical
#&gt;
-#&gt; Fitted in 0.996 s using 6 iterations
+#&gt; Fitted in 0.544 s using 4 iterations
#&gt;
#&gt; Variance model: Two-component variance function
#&gt;
#&gt; Mean of starting values for individual parameters:
#&gt; parent_0 log_k_parent
-#&gt; 101.568773 -4.454103
+#&gt; 101.569 -4.454
#&gt;
#&gt; Fixed degradation parameter values:
#&gt; None
#&gt;
#&gt; Results:
#&gt;
-#&gt; AIC BIC logLik
-#&gt; 586.4159 603.9145 -286.2079
+#&gt; AIC BIC logLik
+#&gt; 584.5 599.5 -286.2
#&gt;
#&gt; Optimised, transformed parameters with symmetric confidence intervals:
#&gt; lower est. upper
-#&gt; parent_0 99.360 101.593 103.825
-#&gt; log_k_parent -4.979 -4.451 -3.924
+#&gt; parent_0 99.371 101.592 103.814
+#&gt; log_k_parent -4.973 -4.449 -3.926
#&gt;
#&gt; Correlation:
#&gt; prnt_0
-#&gt; log_k_parent 0.155
+#&gt; log_k_parent 0.051
#&gt;
#&gt; Random effects:
#&gt; Formula: list(parent_0 ~ 1, log_k_parent ~ 1)
#&gt; Level: ds
-#&gt; Structure: General positive-definite, Log-Cholesky parametrization
-#&gt; StdDev Corr
-#&gt; parent_0 0.2624248 prnt_0
-#&gt; log_k_parent 0.5907146 0.999
-#&gt; Residual 1.0000000
+#&gt; Structure: Diagonal
+#&gt; parent_0 log_k_parent Residual
+#&gt; StdDev: 6.924e-05 0.5863 1
#&gt;
#&gt; Variance function:
#&gt; Structure: Constant plus proportion of variance covariate
#&gt; Formula: ~fitted(.)
#&gt; Parameter estimates:
-#&gt; const prop
-#&gt; 6.56706e-24 7.89583e-02
+#&gt; const prop
+#&gt; 0.0001208853 0.0789968036
#&gt;
#&gt; Backtransformed parameters with asymmetric confidence intervals:
#&gt; lower est. upper
-#&gt; parent_0 99.360213 101.59280 103.82539
-#&gt; k_parent 0.006883 0.01166 0.01976
+#&gt; parent_0 99.370882 101.59243 103.81398
+#&gt; k_parent 0.006923 0.01168 0.01972
#&gt;
#&gt; Estimated disappearance times:
#&gt; DT50 DT90
-#&gt; parent 59.44 197.4
+#&gt; parent 59.32 197.1
#&gt;
#&gt; Data:
#&gt; ds name time observed predicted residual std standardized
-#&gt; ds 1 parent 0 104.1 101.417 2.68283 8.0077 0.335030
-#&gt; ds 1 parent 0 105.0 101.417 3.58283 8.0077 0.447422
-#&gt; ds 1 parent 1 98.5 100.624 -2.12400 7.9451 -0.267334
-#&gt; ds 1 parent 1 96.1 100.624 -4.52400 7.9451 -0.569407
-#&gt; ds 1 parent 3 101.9 99.056 2.84379 7.8213 0.363595
-#&gt; ds 1 parent 3 85.2 99.056 -13.85621 7.8213 -1.771597
-#&gt; ds 1 parent 7 99.1 95.994 3.10646 7.5795 0.409850
-#&gt; ds 1 parent 7 93.0 95.994 -2.99354 7.5795 -0.394953
-#&gt; ds 1 parent 14 88.1 90.860 -2.75997 7.1741 -0.384710
-#&gt; ds 1 parent 14 84.1 90.860 -6.75997 7.1741 -0.942268
-#&gt; ds 1 parent 28 80.2 81.402 -1.20174 6.4273 -0.186973
-#&gt; ds 1 parent 28 91.3 81.402 9.89826 6.4273 1.540024
-#&gt; ds 1 parent 60 65.1 63.316 1.78361 4.9994 0.356767
-#&gt; ds 1 parent 60 65.8 63.316 2.48361 4.9994 0.496785
-#&gt; ds 1 parent 90 47.8 50.029 -2.22862 3.9502 -0.564182
-#&gt; ds 1 parent 90 53.5 50.029 3.47138 3.9502 0.878792
-#&gt; ds 1 parent 120 37.6 39.529 -1.92946 3.1212 -0.618182
-#&gt; ds 1 parent 120 39.3 39.529 -0.22946 3.1212 -0.073516
-#&gt; ds 2 parent 0 107.9 101.711 6.18875 8.0309 0.770613
-#&gt; ds 2 parent 0 102.1 101.711 0.38875 8.0309 0.048406
-#&gt; ds 2 parent 1 103.8 100.174 3.62597 7.9096 0.458428
-#&gt; ds 2 parent 1 108.6 100.174 8.42597 7.9096 1.065287
-#&gt; ds 2 parent 3 91.0 97.169 -6.16895 7.6723 -0.804055
-#&gt; ds 2 parent 3 84.9 97.169 -12.26895 7.6723 -1.599124
-#&gt; ds 2 parent 7 79.3 91.427 -12.12652 7.2189 -1.679833
-#&gt; ds 2 parent 7 100.9 91.427 9.47348 7.2189 1.312320
-#&gt; ds 2 parent 14 77.3 82.182 -4.88174 6.4889 -0.752318
-#&gt; ds 2 parent 14 83.5 82.182 1.31826 6.4889 0.203155
-#&gt; ds 2 parent 28 66.8 66.402 0.39792 5.2430 0.075895
-#&gt; ds 2 parent 28 63.3 66.402 -3.10208 5.2430 -0.591662
-#&gt; ds 2 parent 60 40.8 40.789 0.01138 3.2206 0.003532
-#&gt; ds 2 parent 60 44.8 40.789 4.01138 3.2206 1.245537
-#&gt; ds 2 parent 90 27.8 25.830 1.97002 2.0395 0.965937
-#&gt; ds 2 parent 90 27.0 25.830 1.17002 2.0395 0.573682
-#&gt; ds 2 parent 120 15.2 16.357 -1.15721 1.2915 -0.895991
-#&gt; ds 2 parent 120 15.5 16.357 -0.85721 1.2915 -0.663710
-#&gt; ds 3 parent 0 97.7 101.907 -4.20726 8.0464 -0.522873
-#&gt; ds 3 parent 0 88.2 101.907 -13.70726 8.0464 -1.703521
-#&gt; ds 3 parent 1 109.9 99.522 10.37805 7.8581 1.320685
-#&gt; ds 3 parent 1 97.8 99.522 -1.72195 7.8581 -0.219130
-#&gt; ds 3 parent 3 100.5 94.918 5.58248 7.4945 0.744875
-#&gt; ds 3 parent 3 77.4 94.918 -17.51752 7.4945 -2.337375
-#&gt; ds 3 parent 7 78.3 86.338 -8.03788 6.8171 -1.179077
-#&gt; ds 3 parent 7 90.3 86.338 3.96212 6.8171 0.581204
-#&gt; ds 3 parent 14 76.0 73.147 2.85281 5.7756 0.493944
-#&gt; ds 3 parent 14 79.1 73.147 5.95281 5.7756 1.030687
-#&gt; ds 3 parent 28 46.0 52.504 -6.50373 4.1456 -1.568826
-#&gt; ds 3 parent 28 53.4 52.504 0.89627 4.1456 0.216197
-#&gt; ds 3 parent 60 25.1 24.605 0.49461 1.9428 0.254586
-#&gt; ds 3 parent 60 21.4 24.605 -3.20539 1.9428 -1.649882
-#&gt; ds 3 parent 90 11.0 12.090 -1.09046 0.9546 -1.142271
-#&gt; ds 3 parent 90 14.2 12.090 2.10954 0.9546 2.209770
-#&gt; ds 3 parent 120 5.8 5.941 -0.14094 0.4691 -0.300464
-#&gt; ds 3 parent 120 6.1 5.941 0.15906 0.4691 0.339077
-#&gt; ds 4 parent 0 95.3 101.177 -5.87672 7.9887 -0.735625
-#&gt; ds 4 parent 0 102.0 101.177 0.82328 7.9887 0.103056
-#&gt; ds 4 parent 1 104.4 100.716 3.68438 7.9523 0.463307
-#&gt; ds 4 parent 1 105.4 100.716 4.68438 7.9523 0.589057
-#&gt; ds 4 parent 3 113.7 99.800 13.90026 7.8800 1.763989
-#&gt; ds 4 parent 3 82.3 99.800 -17.49974 7.8800 -2.220774
-#&gt; ds 4 parent 7 98.1 97.993 0.10713 7.7374 0.013846
-#&gt; ds 4 parent 7 87.8 97.993 -10.19287 7.7374 -1.317359
-#&gt; ds 4 parent 14 97.9 94.909 2.99079 7.4939 0.399098
-#&gt; ds 4 parent 14 104.8 94.909 9.89079 7.4939 1.319851
-#&gt; ds 4 parent 28 85.0 89.030 -4.02995 7.0297 -0.573279
-#&gt; ds 4 parent 28 77.2 89.030 -11.82995 7.0297 -1.682864
-#&gt; ds 4 parent 60 82.2 76.923 5.27690 6.0737 0.868808
-#&gt; ds 4 parent 60 86.1 76.923 9.17690 6.0737 1.510919
-#&gt; ds 4 parent 90 70.5 67.073 3.42743 5.2959 0.647182
-#&gt; ds 4 parent 90 61.7 67.073 -5.37257 5.2959 -1.014470
-#&gt; ds 4 parent 120 60.0 58.483 1.51654 4.6178 0.328416
-#&gt; ds 4 parent 120 56.4 58.483 -2.08346 4.6178 -0.451184
-#&gt; ds 5 parent 0 92.6 101.752 -9.15161 8.0341 -1.139091
-#&gt; ds 5 parent 0 116.5 101.752 14.74839 8.0341 1.835716
-#&gt; ds 5 parent 1 108.0 100.069 7.93112 7.9013 1.003778
-#&gt; ds 5 parent 1 104.9 100.069 4.83112 7.9013 0.611436
-#&gt; ds 5 parent 3 100.5 96.786 3.71355 7.6421 0.485934
-#&gt; ds 5 parent 3 89.5 96.786 -7.28645 7.6421 -0.953462
-#&gt; ds 5 parent 7 91.7 90.541 1.15895 7.1490 0.162114
-#&gt; ds 5 parent 7 95.1 90.541 4.55895 7.1490 0.637707
-#&gt; ds 5 parent 14 82.2 80.566 1.63437 6.3613 0.256923
-#&gt; ds 5 parent 14 84.5 80.566 3.93437 6.3613 0.618483
-#&gt; ds 5 parent 28 60.5 63.791 -3.29084 5.0368 -0.653357
-#&gt; ds 5 parent 28 72.8 63.791 9.00916 5.0368 1.788662
-#&gt; ds 5 parent 60 38.3 37.412 0.88840 2.9540 0.300748
-#&gt; ds 5 parent 60 40.7 37.412 3.28840 2.9540 1.113217
-#&gt; ds 5 parent 90 22.5 22.685 -0.18500 1.7912 -0.103287
-#&gt; ds 5 parent 90 20.8 22.685 -1.88500 1.7912 -1.052387
-#&gt; ds 5 parent 120 13.4 13.755 -0.35534 1.0861 -0.327173
-#&gt; ds 5 parent 120 13.8 13.755 0.04466 1.0861 0.041118</div><div class='input'>
+#&gt; ds 1 parent 0 104.1 101.592 2.50757 8.0255 0.312451
+#&gt; ds 1 parent 0 105.0 101.592 3.40757 8.0255 0.424594
+#&gt; ds 1 parent 1 98.5 100.796 -2.29571 7.9625 -0.288313
+#&gt; ds 1 parent 1 96.1 100.796 -4.69571 7.9625 -0.589725
+#&gt; ds 1 parent 3 101.9 99.221 2.67904 7.8381 0.341796
+#&gt; ds 1 parent 3 85.2 99.221 -14.02096 7.8381 -1.788812
+#&gt; ds 1 parent 7 99.1 96.145 2.95512 7.5951 0.389081
+#&gt; ds 1 parent 7 93.0 96.145 -3.14488 7.5951 -0.414065
+#&gt; ds 1 parent 14 88.1 90.989 -2.88944 7.1879 -0.401987
+#&gt; ds 1 parent 14 84.1 90.989 -6.88944 7.1879 -0.958480
+#&gt; ds 1 parent 28 80.2 81.493 -1.29305 6.4377 -0.200857
+#&gt; ds 1 parent 28 91.3 81.493 9.80695 6.4377 1.523364
+#&gt; ds 1 parent 60 65.1 63.344 1.75642 5.0039 0.351008
+#&gt; ds 1 parent 60 65.8 63.344 2.45642 5.0039 0.490898
+#&gt; ds 1 parent 90 47.8 50.018 -2.21764 3.9512 -0.561252
+#&gt; ds 1 parent 90 53.5 50.018 3.48236 3.9512 0.881335
+#&gt; ds 1 parent 120 37.6 39.495 -1.89515 3.1200 -0.607423
+#&gt; ds 1 parent 120 39.3 39.495 -0.19515 3.1200 -0.062549
+#&gt; ds 2 parent 0 107.9 101.592 6.30757 8.0255 0.785943
+#&gt; ds 2 parent 0 102.1 101.592 0.50757 8.0255 0.063245
+#&gt; ds 2 parent 1 103.8 100.058 3.74159 7.9043 0.473361
+#&gt; ds 2 parent 1 108.6 100.058 8.54159 7.9043 1.080626
+#&gt; ds 2 parent 3 91.0 97.060 -6.05952 7.6674 -0.790297
+#&gt; ds 2 parent 3 84.9 97.060 -12.15952 7.6674 -1.585874
+#&gt; ds 2 parent 7 79.3 91.329 -12.02867 7.2147 -1.667251
+#&gt; ds 2 parent 7 100.9 91.329 9.57133 7.2147 1.326647
+#&gt; ds 2 parent 14 77.3 82.102 -4.80185 6.4858 -0.740366
+#&gt; ds 2 parent 14 83.5 82.102 1.39815 6.4858 0.215571
+#&gt; ds 2 parent 28 66.8 66.351 0.44945 5.2415 0.085748
+#&gt; ds 2 parent 28 63.3 66.351 -3.05055 5.2415 -0.582002
+#&gt; ds 2 parent 60 40.8 40.775 0.02474 3.2211 0.007679
+#&gt; ds 2 parent 60 44.8 40.775 4.02474 3.2211 1.249485
+#&gt; ds 2 parent 90 27.8 25.832 1.96762 2.0407 0.964198
+#&gt; ds 2 parent 90 27.0 25.832 1.16762 2.0407 0.572171
+#&gt; ds 2 parent 120 15.2 16.366 -1.16561 1.2928 -0.901595
+#&gt; ds 2 parent 120 15.5 16.366 -0.86561 1.2928 -0.669547
+#&gt; ds 3 parent 0 97.7 101.592 -3.89243 8.0255 -0.485009
+#&gt; ds 3 parent 0 88.2 101.592 -13.39243 8.0255 -1.668739
+#&gt; ds 3 parent 1 109.9 99.218 10.68196 7.8379 1.362858
+#&gt; ds 3 parent 1 97.8 99.218 -1.41804 7.8379 -0.180921
+#&gt; ds 3 parent 3 100.5 94.634 5.86555 7.4758 0.784603
+#&gt; ds 3 parent 3 77.4 94.634 -17.23445 7.4758 -2.305360
+#&gt; ds 3 parent 7 78.3 86.093 -7.79273 6.8011 -1.145813
+#&gt; ds 3 parent 7 90.3 86.093 4.20727 6.8011 0.618620
+#&gt; ds 3 parent 14 76.0 72.958 3.04222 5.7634 0.527848
+#&gt; ds 3 parent 14 79.1 72.958 6.14222 5.7634 1.065722
+#&gt; ds 3 parent 28 46.0 52.394 -6.39404 4.1390 -1.544842
+#&gt; ds 3 parent 28 53.4 52.394 1.00596 4.1390 0.243046
+#&gt; ds 3 parent 60 25.1 24.582 0.51786 1.9419 0.266676
+#&gt; ds 3 parent 60 21.4 24.582 -3.18214 1.9419 -1.638664
+#&gt; ds 3 parent 90 11.0 12.092 -1.09202 0.9552 -1.143199
+#&gt; ds 3 parent 90 14.2 12.092 2.10798 0.9552 2.206776
+#&gt; ds 3 parent 120 5.8 5.948 -0.14810 0.4699 -0.315178
+#&gt; ds 3 parent 120 6.1 5.948 0.15190 0.4699 0.323282
+#&gt; ds 4 parent 0 95.3 101.592 -6.29243 8.0255 -0.784057
+#&gt; ds 4 parent 0 102.0 101.592 0.40757 8.0255 0.050784
+#&gt; ds 4 parent 1 104.4 101.125 3.27549 7.9885 0.410025
+#&gt; ds 4 parent 1 105.4 101.125 4.27549 7.9885 0.535205
+#&gt; ds 4 parent 3 113.7 100.195 13.50487 7.9151 1.706218
+#&gt; ds 4 parent 3 82.3 100.195 -17.89513 7.9151 -2.260886
+#&gt; ds 4 parent 7 98.1 98.362 -0.26190 7.7703 -0.033706
+#&gt; ds 4 parent 7 87.8 98.362 -10.56190 7.7703 -1.359270
+#&gt; ds 4 parent 14 97.9 95.234 2.66590 7.5232 0.354357
+#&gt; ds 4 parent 14 104.8 95.234 9.56590 7.5232 1.271521
+#&gt; ds 4 parent 28 85.0 89.274 -4.27372 7.0523 -0.606001
+#&gt; ds 4 parent 28 77.2 89.274 -12.07372 7.0523 -1.712017
+#&gt; ds 4 parent 60 82.2 77.013 5.18661 6.0838 0.852526
+#&gt; ds 4 parent 60 86.1 77.013 9.08661 6.0838 1.493571
+#&gt; ds 4 parent 90 70.5 67.053 3.44692 5.2970 0.650733
+#&gt; ds 4 parent 90 61.7 67.053 -5.35308 5.2970 -1.010591
+#&gt; ds 4 parent 120 60.0 58.381 1.61905 4.6119 0.351058
+#&gt; ds 4 parent 120 56.4 58.381 -1.98095 4.6119 -0.429530
+#&gt; ds 5 parent 0 92.6 101.592 -8.99243 8.0255 -1.120485
+#&gt; ds 5 parent 0 116.5 101.592 14.90757 8.0255 1.857531
+#&gt; ds 5 parent 1 108.0 99.914 8.08560 7.8929 1.024413
+#&gt; ds 5 parent 1 104.9 99.914 4.98560 7.8929 0.631655
+#&gt; ds 5 parent 3 100.5 96.641 3.85898 7.6343 0.505477
+#&gt; ds 5 parent 3 89.5 96.641 -7.14102 7.6343 -0.935382
+#&gt; ds 5 parent 7 91.7 90.412 1.28752 7.1423 0.180267
+#&gt; ds 5 parent 7 95.1 90.412 4.68752 7.1423 0.656304
+#&gt; ds 5 parent 14 82.2 80.463 1.73715 6.3563 0.273295
+#&gt; ds 5 parent 14 84.5 80.463 4.03715 6.3563 0.635141
+#&gt; ds 5 parent 28 60.5 63.728 -3.22788 5.0343 -0.641178
+#&gt; ds 5 parent 28 72.8 63.728 9.07212 5.0343 1.802062
+#&gt; ds 5 parent 60 38.3 37.399 0.90061 2.9544 0.304835
+#&gt; ds 5 parent 60 40.7 37.399 3.30061 2.9544 1.117174
+#&gt; ds 5 parent 90 22.5 22.692 -0.19165 1.7926 -0.106913
+#&gt; ds 5 parent 90 20.8 22.692 -1.89165 1.7926 -1.055273
+#&gt; ds 5 parent 120 13.4 13.768 -0.36790 1.0876 -0.338259
+#&gt; ds 5 parent 120 13.8 13.768 0.03210 1.0876 0.029517</div><div class='input'>
</div></pre>
</div>
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