Additional algorithm "d_c", more tests, docs

The new algorithm tries direct optimization of the likelihood, as well
as a three step procedure. In this way, we consistently get the
model with the highest likelihood for SFO, DFOP and HS for all 12
new test datasets.

1 files changed, 377 insertions, 9 deletions

diff --git a/test.log b/test.log
index 0fcca094..30196966 100644
--- a/test.log
+++ b/test.log
@@ -2,28 +2,396 @@ Loading mkin
 Testing mkin
 ✔ |  OK F W S | Context
 
⠏ |   0       | Export dataset for reading into CAKE
✔ |   1       | Export dataset for reading into CAKE
-
⠏ |   0       | Error model fitting
⠋ |   1       | Error model fitting
⠹ |   3       | Error model fitting
⠸ |   4       | Error model fitting
⠼ |   5       | Error model fitting
⠴ |   6       | Error model fitting
⠧ |   8       | Error model fitting
⠏ |  10       | Error model fitting
⠋ |  11       | Error model fitting
✔ |  12       | Error model fitting [214.1 s]
-
⠏ |   0       | Calculation of FOCUS chi2 error levels
⠋ |   1       | Calculation of FOCUS chi2 error levels
⠹ |   3       | Calculation of FOCUS chi2 error levels
✔ |   3       | Calculation of FOCUS chi2 error levels [2.3 s]
+
⠏ |   0       | Error model fitting
⠋ |   1       | Error model fitting
⠹ |   3       | Error model fitting
⠸ |   4       | Error model fitting
⠼ |   5       | Error model fitting
⠴ |   6       | Error model fitting
⠧ |   8       | Error model fitting
⠏ |  10       | Error model fitting
⠋ |  10   1   | Error model fitting
⠋ |  10   1   | Error model fitting
⠋ |  10   1   | Error model fitting
⠋ |  10   1   | Error model fitting
⠋ |  10   1   | Error model fitting
⠋ |  10   1   | Error model fitting
⠋ |  11       | Error model fittingSum of squared residuals at call 1: 1590.602
+Sum of squared residuals at call 3: 1590.601
+Sum of squared residuals at call 5: 999.7593
+Sum of squared residuals at call 7: 999.7513
+Sum of squared residuals at call 8: 979.5713
+Sum of squared residuals at call 9: 948.3366
+Sum of squared residuals at call 10: 855.9518
+Sum of squared residuals at call 13: 836.4547
+Sum of squared residuals at call 14: 836.4547
+Sum of squared residuals at call 16: 836.422
+Sum of squared residuals at call 19: 836.422
+Sum of squared residuals at call 23: 836.422
+Sum of squared residuals at call 24: 836.422
+Negative log-likelihood at call 30: 65.71278
+
⠹ |  13       | Error model fittingNegative log-likelihood at call 1: 4104.4
+Negative log-likelihood at call 2: 4104.4
+Negative log-likelihood at call 4: 4104.399
+Negative log-likelihood at call 6: 85.79717
+Negative log-likelihood at call 11: 72.50327
+Negative log-likelihood at call 12: 72.50327
+Negative log-likelihood at call 17: 71.79809
+Negative log-likelihood at call 22: 71.10373
+Negative log-likelihood at call 26: 71.10373
+Negative log-likelihood at call 27: 70.84093
+Negative log-likelihood at call 29: 70.84093
+Negative log-likelihood at call 32: 70.64538
+Negative log-likelihood at call 37: 70.64538
+Negative log-likelihood at call 38: 70.33707
+Negative log-likelihood at call 40: 70.33707
+Negative log-likelihood at call 42: 70.33707
+Negative log-likelihood at call 43: 69.89484
+Negative log-likelihood at call 48: 69.05915
+Negative log-likelihood at call 53: 67.99547
+Negative log-likelihood at call 56: 67.99547
+Negative log-likelihood at call 58: 66.59808
+Negative log-likelihood at call 63: 66.59808
+Negative log-likelihood at call 64: 66.2343
+Negative log-likelihood at call 65: 66.23429
+Negative log-likelihood at call 68: 66.23428
+Negative log-likelihood at call 69: 65.67228
+Negative log-likelihood at call 70: 65.67228
+Negative log-likelihood at call 73: 65.67227
+Negative log-likelihood at call 74: 65.33106
+Negative log-likelihood at call 79: 65.31005
+Negative log-likelihood at call 80: 65.31005
+Negative log-likelihood at call 81: 65.31005
+Negative log-likelihood at call 83: 65.31004
+Negative log-likelihood at call 84: 65.17731
+Negative log-likelihood at call 85: 65.17731
+Negative log-likelihood at call 89: 65.16821
+Negative log-likelihood at call 94: 65.13357
+Negative log-likelihood at call 96: 65.13357
+Negative log-likelihood at call 98: 65.13357
+Negative log-likelihood at call 99: 65.08107
+Negative log-likelihood at call 104: 64.86685
+Negative log-likelihood at call 105: 64.86685
+Negative log-likelihood at call 109: 64.50332
+Negative log-likelihood at call 112: 64.50332
+Negative log-likelihood at call 114: 64.10889
+Negative log-likelihood at call 119: 63.57448
+Negative log-likelihood at call 120: 63.57448
+Negative log-likelihood at call 123: 63.57448
+Negative log-likelihood at call 124: 63.5456
+Negative log-likelihood at call 127: 63.5456
+Negative log-likelihood at call 129: 63.48903
+Negative log-likelihood at call 131: 63.48903
+Negative log-likelihood at call 135: 63.47608
+Negative log-likelihood at call 140: 63.47181
+Negative log-likelihood at call 141: 63.47181
+Negative log-likelihood at call 145: 63.4714
+Negative log-likelihood at call 146: 63.4714
+Negative log-likelihood at call 151: 63.4714
+Negative log-likelihood at call 152: 63.4714
+Negative log-likelihood at call 160: 63.4714
+Negative log-likelihood at call 169: 63.4714
+
⠸ |  14       | Error model fittingSum of squared residuals at call 1: 1590.602
+Sum of squared residuals at call 3: 1590.601
+Sum of squared residuals at call 5: 999.7593
+Sum of squared residuals at call 7: 999.7513
+Sum of squared residuals at call 8: 979.5713
+Sum of squared residuals at call 9: 948.3366
+Sum of squared residuals at call 10: 855.9518
+Sum of squared residuals at call 13: 836.4547
+Sum of squared residuals at call 14: 836.4547
+Sum of squared residuals at call 16: 836.422
+Sum of squared residuals at call 19: 836.422
+Sum of squared residuals at call 23: 836.422
+Sum of squared residuals at call 24: 836.422
+Negative log-likelihood at call 32: 7208.014
+Negative log-likelihood at call 34: 7208.013
+Negative log-likelihood at call 36: 132.2815
+Negative log-likelihood at call 41: 75.57291
+Negative log-likelihood at call 42: 75.57291
+Negative log-likelihood at call 45: 75.57291
+Negative log-likelihood at call 47: 73.57761
+Negative log-likelihood at call 52: 70.3766
+Negative log-likelihood at call 57: 68.75449
+Negative log-likelihood at call 62: 68.50149
+Negative log-likelihood at call 64: 68.50149
+Negative log-likelihood at call 66: 68.50146
+Negative log-likelihood at call 67: 68.2035
+Negative log-likelihood at call 71: 68.2035
+Negative log-likelihood at call 72: 68.13162
+Negative log-likelihood at call 77: 67.94078
+Negative log-likelihood at call 78: 67.60889
+Negative log-likelihood at call 80: 67.60889
+Negative log-likelihood at call 83: 66.72645
+Negative log-likelihood at call 88: 65.66209
+Negative log-likelihood at call 93: 64.79703
+Negative log-likelihood at call 98: 64.6745
+Negative log-likelihood at call 101: 64.6745
+Negative log-likelihood at call 102: 64.6745
+Negative log-likelihood at call 103: 64.60902
+Negative log-likelihood at call 108: 64.56616
+Negative log-likelihood at call 113: 64.55458
+Negative log-likelihood at call 117: 64.55458
+Negative log-likelihood at call 119: 64.50796
+Negative log-likelihood at call 121: 64.50796
+Negative log-likelihood at call 124: 64.41361
+Negative log-likelihood at call 129: 64.2052
+Negative log-likelihood at call 134: 63.92264
+Negative log-likelihood at call 139: 63.66033
+Negative log-likelihood at call 140: 63.66033
+Negative log-likelihood at call 142: 63.66033
+Negative log-likelihood at call 144: 63.55606
+Negative log-likelihood at call 146: 63.55606
+Negative log-likelihood at call 149: 63.48537
+Negative log-likelihood at call 150: 63.48537
+Negative log-likelihood at call 154: 63.47183
+Negative log-likelihood at call 156: 63.47183
+Negative log-likelihood at call 157: 63.47183
+Negative log-likelihood at call 159: 63.47141
+Negative log-likelihood at call 160: 63.47141
+Negative log-likelihood at call 162: 63.47141
+Negative log-likelihood at call 164: 63.4714
+Negative log-likelihood at call 165: 63.4714
+Negative log-likelihood at call 168: 63.4714
+Negative log-likelihood at call 172: 63.4714
+Negative log-likelihood at call 173: 63.4714
+Negative log-likelihood at call 181: 63.4714
+Negative log-likelihood at call 182: 63.4714
+Negative log-likelihood at call 191: 63.4714
+
⠼ |  15       | Error model fittingSum of squared residuals at call 1: 1590.602
+Sum of squared residuals at call 3: 1590.601
+Sum of squared residuals at call 5: 999.7593
+Sum of squared residuals at call 7: 999.7513
+Sum of squared residuals at call 8: 979.5713
+Sum of squared residuals at call 9: 948.3366
+Sum of squared residuals at call 10: 855.9518
+Sum of squared residuals at call 13: 836.4547
+Sum of squared residuals at call 14: 836.4547
+Sum of squared residuals at call 16: 836.422
+Sum of squared residuals at call 19: 836.422
+Sum of squared residuals at call 23: 836.422
+Sum of squared residuals at call 24: 836.422
+Negative log-likelihood at call 32: 7208.013
+Negative log-likelihood at call 34: 164.0572
+Negative log-likelihood at call 37: 139.4622
+Negative log-likelihood at call 40: 138.9749
+Negative log-likelihood at call 43: 134.4266
+Negative log-likelihood at call 46: 108.9584
+Negative log-likelihood at call 49: 98.97929
+Negative log-likelihood at call 52: 91.49458
+Negative log-likelihood at call 55: 87.49741
+Negative log-likelihood at call 57: 87.49741
+Negative log-likelihood at call 58: 85.29177
+Negative log-likelihood at call 61: 84.23711
+Negative log-likelihood at call 64: 83.76617
+Negative log-likelihood at call 67: 83.53472
+Negative log-likelihood at call 70: 83.33848
+Negative log-likelihood at call 73: 83.00488
+Negative log-likelihood at call 76: 82.06707
+Negative log-likelihood at call 77: 82.06707
+Negative log-likelihood at call 79: 75.48058
+Negative log-likelihood at call 82: 69.27829
+Negative log-likelihood at call 85: 66.14308
+Negative log-likelihood at call 86: 66.14306
+Negative log-likelihood at call 90: 65.73421
+Negative log-likelihood at call 91: 65.73421
+Negative log-likelihood at call 94: 65.71278
+Negative log-likelihood at call 98: 65.71278
+Negative log-likelihood at call 99: 65.71278
+Negative log-likelihood at call 127: 65.71278
+
⠴ |  16       | Error model fittingSum of squared residuals at call 1: 1590.602
+Sum of squared residuals at call 3: 1590.601
+Sum of squared residuals at call 5: 999.7593
+Sum of squared residuals at call 7: 999.7513
+Sum of squared residuals at call 8: 979.5713
+Sum of squared residuals at call 9: 948.3366
+Sum of squared residuals at call 10: 855.9518
+Sum of squared residuals at call 13: 836.4547
+Sum of squared residuals at call 14: 836.4547
+Sum of squared residuals at call 16: 836.422
+Sum of squared residuals at call 19: 836.422
+Sum of squared residuals at call 23: 836.422
+Sum of squared residuals at call 24: 836.422
+Negative log-likelihood at call 32: 7208.013
+Negative log-likelihood at call 34: 164.0572
+Negative log-likelihood at call 37: 139.4622
+Negative log-likelihood at call 40: 138.9749
+Negative log-likelihood at call 43: 134.4266
+Negative log-likelihood at call 46: 108.9584
+Negative log-likelihood at call 49: 98.97929
+Negative log-likelihood at call 52: 91.49458
+Negative log-likelihood at call 55: 87.49741
+Negative log-likelihood at call 57: 87.49741
+Negative log-likelihood at call 58: 85.29177
+Negative log-likelihood at call 61: 84.23711
+Negative log-likelihood at call 64: 83.76617
+Negative log-likelihood at call 67: 83.53472
+Negative log-likelihood at call 70: 83.33848
+Negative log-likelihood at call 73: 83.00488
+Negative log-likelihood at call 76: 82.06707
+Negative log-likelihood at call 77: 82.06707
+Negative log-likelihood at call 79: 75.48058
+Negative log-likelihood at call 82: 69.27829
+Negative log-likelihood at call 85: 66.14308
+Negative log-likelihood at call 86: 66.14306
+Negative log-likelihood at call 90: 65.73421
+Negative log-likelihood at call 91: 65.73421
+Negative log-likelihood at call 94: 65.71278
+Negative log-likelihood at call 98: 65.71278
+Negative log-likelihood at call 99: 65.71278
+Negative log-likelihood at call 132: 65.71278
+
⠦ |  17       | Error model fittingSum of squared residuals at call 1: 1590.602
+Sum of squared residuals at call 3: 1590.601
+Sum of squared residuals at call 5: 999.7593
+Sum of squared residuals at call 7: 999.7513
+Sum of squared residuals at call 8: 979.5713
+Sum of squared residuals at call 9: 948.3366
+Sum of squared residuals at call 10: 855.9518
+Sum of squared residuals at call 13: 836.4547
+Sum of squared residuals at call 14: 836.4547
+Sum of squared residuals at call 16: 836.422
+Sum of squared residuals at call 19: 836.422
+Sum of squared residuals at call 23: 836.422
+Sum of squared residuals at call 24: 836.422
+Negative log-likelihood at call 32: 7208.013
+Negative log-likelihood at call 34: 164.0572
+Negative log-likelihood at call 37: 139.4622
+Negative log-likelihood at call 40: 138.9749
+Negative log-likelihood at call 43: 134.4266
+Negative log-likelihood at call 46: 108.9584
+Negative log-likelihood at call 49: 98.97929
+Negative log-likelihood at call 52: 91.49458
+Negative log-likelihood at call 55: 87.49741
+Negative log-likelihood at call 57: 87.49741
+Negative log-likelihood at call 58: 85.29177
+Negative log-likelihood at call 61: 84.23711
+Negative log-likelihood at call 64: 83.76617
+Negative log-likelihood at call 67: 83.53472
+Negative log-likelihood at call 70: 83.33848
+Negative log-likelihood at call 73: 83.00488
+Negative log-likelihood at call 76: 82.06707
+Negative log-likelihood at call 77: 82.06707
+Negative log-likelihood at call 79: 75.48058
+Negative log-likelihood at call 82: 69.27829
+Negative log-likelihood at call 85: 66.14308
+Negative log-likelihood at call 86: 66.14306
+Negative log-likelihood at call 90: 65.73421
+Negative log-likelihood at call 91: 65.73421
+Negative log-likelihood at call 94: 65.71278
+Negative log-likelihood at call 98: 65.71278
+Negative log-likelihood at call 99: 65.71278
+Negative log-likelihood at call 118: 65.71278
+Negative log-likelihood at call 134: 65.71278
+
⠧ |  18       | Error model fittingNegative log-likelihood at call 1: 4104.4
+Negative log-likelihood at call 2: 4104.4
+Negative log-likelihood at call 4: 4104.399
+Negative log-likelihood at call 6: 85.79717
+Negative log-likelihood at call 11: 72.50327
+Negative log-likelihood at call 12: 72.50327
+Negative log-likelihood at call 17: 71.79809
+Negative log-likelihood at call 22: 71.10373
+Negative log-likelihood at call 26: 71.10373
+Negative log-likelihood at call 27: 70.84093
+Negative log-likelihood at call 29: 70.84093
+Negative log-likelihood at call 32: 70.64538
+Negative log-likelihood at call 37: 70.64538
+Negative log-likelihood at call 38: 70.33707
+Negative log-likelihood at call 40: 70.33707
+Negative log-likelihood at call 42: 70.33707
+Negative log-likelihood at call 43: 69.89484
+Negative log-likelihood at call 48: 69.05915
+Negative log-likelihood at call 53: 67.99547
+Negative log-likelihood at call 56: 67.99547
+Negative log-likelihood at call 58: 66.59808
+Negative log-likelihood at call 63: 66.59808
+Negative log-likelihood at call 64: 66.2343
+Negative log-likelihood at call 65: 66.23429
+Negative log-likelihood at call 68: 66.23428
+Negative log-likelihood at call 69: 65.67228
+Negative log-likelihood at call 70: 65.67228
+Negative log-likelihood at call 73: 65.67227
+Negative log-likelihood at call 74: 65.33106
+Negative log-likelihood at call 79: 65.31005
+Negative log-likelihood at call 80: 65.31005
+Negative log-likelihood at call 81: 65.31005
+Negative log-likelihood at call 83: 65.31004
+Negative log-likelihood at call 84: 65.17731
+Negative log-likelihood at call 85: 65.17731
+Negative log-likelihood at call 89: 65.16821
+Negative log-likelihood at call 94: 65.13357
+Negative log-likelihood at call 96: 65.13357
+Negative log-likelihood at call 98: 65.13357
+Negative log-likelihood at call 99: 65.08107
+Negative log-likelihood at call 104: 64.86685
+Negative log-likelihood at call 105: 64.86685
+Negative log-likelihood at call 109: 64.50332
+Negative log-likelihood at call 112: 64.50332
+Negative log-likelihood at call 114: 64.10889
+Negative log-likelihood at call 119: 63.57448
+Negative log-likelihood at call 120: 63.57448
+Negative log-likelihood at call 123: 63.57448
+Negative log-likelihood at call 124: 63.5456
+Negative log-likelihood at call 127: 63.5456
+Negative log-likelihood at call 129: 63.48903
+Negative log-likelihood at call 131: 63.48903
+Negative log-likelihood at call 135: 63.47608
+Negative log-likelihood at call 140: 63.47181
+Negative log-likelihood at call 141: 63.47181
+Negative log-likelihood at call 145: 63.4714
+Negative log-likelihood at call 146: 63.4714
+Negative log-likelihood at call 151: 63.4714
+Negative log-likelihood at call 152: 63.4714
+Negative log-likelihood at call 160: 63.4714
+Negative log-likelihood at call 169: 63.4714
+Sum of squared residuals at call 179: 1590.602
+Sum of squared residuals at call 181: 1590.601
+Sum of squared residuals at call 183: 999.7593
+Sum of squared residuals at call 185: 999.7513
+Sum of squared residuals at call 186: 979.5713
+Sum of squared residuals at call 187: 948.3366
+Sum of squared residuals at call 188: 855.9518
+Sum of squared residuals at call 191: 836.4547
+Sum of squared residuals at call 192: 836.4547
+Sum of squared residuals at call 194: 836.422
+Sum of squared residuals at call 197: 836.422
+Sum of squared residuals at call 201: 836.422
+Sum of squared residuals at call 202: 836.422
+Negative log-likelihood at call 210: 7208.013
+Negative log-likelihood at call 212: 164.0572
+Negative log-likelihood at call 215: 139.4622
+Negative log-likelihood at call 218: 138.9749
+Negative log-likelihood at call 221: 134.4266
+Negative log-likelihood at call 224: 108.9584
+Negative log-likelihood at call 227: 98.97929
+Negative log-likelihood at call 230: 91.49458
+Negative log-likelihood at call 233: 87.49741
+Negative log-likelihood at call 235: 87.49741
+Negative log-likelihood at call 236: 85.29177
+Negative log-likelihood at call 239: 84.23711
+Negative log-likelihood at call 242: 83.76617
+Negative log-likelihood at call 245: 83.53472
+Negative log-likelihood at call 248: 83.33848
+Negative log-likelihood at call 251: 83.00488
+Negative log-likelihood at call 254: 82.06707
+Negative log-likelihood at call 255: 82.06707
+Negative log-likelihood at call 257: 75.48058
+Negative log-likelihood at call 260: 69.27829
+Negative log-likelihood at call 263: 66.14308
+Negative log-likelihood at call 264: 66.14306
+Negative log-likelihood at call 268: 65.73421
+Negative log-likelihood at call 269: 65.73421
+Negative log-likelihood at call 272: 65.71278
+Negative log-likelihood at call 276: 65.71278
+Negative log-likelihood at call 277: 65.71278
+Negative log-likelihood at call 305: 65.71278
+
⠇ |  19       | Error model fitting
⠏ |  20       | Error model fitting
✔ |  20       | Error model fitting [506.4 s]
+
⠏ |   0       | Calculation of FOCUS chi2 error levels
⠋ |   1       | Calculation of FOCUS chi2 error levels
⠹ |   3       | Calculation of FOCUS chi2 error levels
⠼ |   5       | Calculation of FOCUS chi2 error levels
✔ |   5       | Calculation of FOCUS chi2 error levels [3.6 s]
 
⠏ |   0       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠋ |   1       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠙ |   2       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠸ |   4       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠇ |   9       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
✔ |  13       | Results for FOCUS D established in expertise for UBA (Ranke 2014) [3.8 s]
 
⠏ |   0       | Test fitting the decline of metabolites from their maximum
⠋ |   1       | Test fitting the decline of metabolites from their maximum
⠹ |   3       | Test fitting the decline of metabolites from their maximum
⠼ |   5       | Test fitting the decline of metabolites from their maximum
✔ |   6       | Test fitting the decline of metabolites from their maximum [0.9 s]
 
⠏ |   0       | Fitting the logistic model
⠋ |   1       | Fitting the logistic model
✔ |   1       | Fitting the logistic model [0.9 s]
 
⠏ |   0       | Test dataset class mkinds used in gmkin
✔ |   1       | Test dataset class mkinds used in gmkin
-
⠏ |   0       | Special cases of mkinfit calls
⠋ |   1       | Special cases of mkinfit calls
⠇ |   9       | Special cases of mkinfit calls
⠏ |  10       | Special cases of mkinfit calls
⠋ |  11       | Special cases of mkinfit calls
⠙ |  12       | Special cases of mkinfit calls
✔ |  12       | Special cases of mkinfit calls [2.9 s]
+
⠏ |   0       | Special cases of mkinfit calls
⠋ |   1       | Special cases of mkinfit calls
⠇ |   9       | Special cases of mkinfit calls
⠏ |  10       | Special cases of mkinfit calls
⠋ |  11       | Special cases of mkinfit calls
⠙ |  12       | Special cases of mkinfit calls
✔ |  12       | Special cases of mkinfit calls [2.7 s]
 
⠏ |   0       | mkinmod model generation and printing
⠇ |   9       | mkinmod model generation and printing
✔ |   9       | mkinmod model generation and printing [0.2 s]
 
⠏ |   0       | Model predictions with mkinpredict
⠋ |   1       | Model predictions with mkinpredict
✔ |   3       | Model predictions with mkinpredict [0.3 s]
 
⠏ |   0       | Evaluations according to 2015 NAFTA guidance
⠙ |   2       | Evaluations according to 2015 NAFTA guidance
⠇ |   9       | Evaluations according to 2015 NAFTA guidance
⠏ |  10       | Evaluations according to 2015 NAFTA guidance
⠴ |  16       | Evaluations according to 2015 NAFTA guidance
✔ |  16       | Evaluations according to 2015 NAFTA guidance [4.1 s]
-
⠏ |   0       | Fitting of parent only models
⠋ |   1       | Fitting of parent only models
⠙ |   2       | Fitting of parent only models
⠹ |   3       | Fitting of parent only models
⠸ |   4       | Fitting of parent only models
⠼ |   5       | Fitting of parent only models
⠴ |   6       | Fitting of parent only models
⠦ |   7       | Fitting of parent only models
⠧ |   8       | Fitting of parent only models
⠇ |   9       | Fitting of parent only models
⠏ |  10       | Fitting of parent only models
⠋ |  11       | Fitting of parent only models
⠙ |  12       | Fitting of parent only models
⠹ |  13       | Fitting of parent only models
⠴ |  16       | Fitting of parent only models
⠧ |  18       | Fitting of parent only models
⠏ |  20       | Fitting of parent only models
✔ |  21       | Fitting of parent only models [40.1 s]
-
⠏ |   0       | Calculation of maximum time weighted average concentrations (TWAs)
⠋ |   1       | Calculation of maximum time weighted average concentrations (TWAs)
⠙ |   2       | Calculation of maximum time weighted average concentrations (TWAs)
⠹ |   3       | Calculation of maximum time weighted average concentrations (TWAs)
⠸ |   4       | Calculation of maximum time weighted average concentrations (TWAs)
✔ |   4       | Calculation of maximum time weighted average concentrations (TWAs) [2.3 s]
+
⠏ |   0       | Fitting of parent only models
⠋ |   1       | Fitting of parent only models
⠙ |   2       | Fitting of parent only models
⠹ |   3       | Fitting of parent only models
⠸ |   4       | Fitting of parent only models
⠼ |   5       | Fitting of parent only models
⠴ |   6       | Fitting of parent only models
⠦ |   7       | Fitting of parent only models
⠧ |   8       | Fitting of parent only models
⠇ |   9       | Fitting of parent only models
⠏ |  10       | Fitting of parent only models
⠋ |  11       | Fitting of parent only models
⠙ |  12       | Fitting of parent only models
⠹ |  13       | Fitting of parent only models
⠴ |  16       | Fitting of parent only models
⠧ |  18       | Fitting of parent only models
⠏ |  20       | Fitting of parent only models
✔ |  21       | Fitting of parent only models [40.9 s]
+
⠏ |   0       | Calculation of maximum time weighted average concentrations (TWAs)
⠋ |   1       | Calculation of maximum time weighted average concentrations (TWAs)
⠙ |   2       | Calculation of maximum time weighted average concentrations (TWAs)
⠹ |   3       | Calculation of maximum time weighted average concentrations (TWAs)
⠸ |   4       | Calculation of maximum time weighted average concentrations (TWAs)
✔ |   4       | Calculation of maximum time weighted average concentrations (TWAs) [2.2 s]
 
⠏ |   0       | Summary
✔ |   1       | Summary
 
⠏ |   0       | Plotting
⠹ |   3       | Plotting
✔ |   4       | Plotting [0.3 s]
 
⠏ |   0       | AIC calculation
✔ |   2       | AIC calculation
-
⠏ |   0       | Complex test case from Schaefer et al. (2007) Piacenza paper
⠋ |   1       | Complex test case from Schaefer et al. (2007) Piacenza paper
✔ |   2       | Complex test case from Schaefer et al. (2007) Piacenza paper [5.2 s]
-
⠏ |   0       | Results for synthetic data established in expertise for UBA (Ranke 2014)
⠋ |   1       | Results for synthetic data established in expertise for UBA (Ranke 2014)
⠹ |   3       | Results for synthetic data established in expertise for UBA (Ranke 2014)
✔ |   4       | Results for synthetic data established in expertise for UBA (Ranke 2014) [7.0 s]
+
⠏ |   0       | Complex test case from Schaefer et al. (2007) Piacenza paper
⠋ |   1       | Complex test case from Schaefer et al. (2007) Piacenza paper
✔ |   2       | Complex test case from Schaefer et al. (2007) Piacenza paper [5.4 s]
+
⠏ |   0       | Results for synthetic data established in expertise for UBA (Ranke 2014)
⠋ |   1       | Results for synthetic data established in expertise for UBA (Ranke 2014)
⠹ |   3       | Results for synthetic data established in expertise for UBA (Ranke 2014)
✔ |   4       | Results for synthetic data established in expertise for UBA (Ranke 2014) [7.2 s]
 
 ══ Results ═════════════════════════════════════════════════════════════════════
-Duration: 289.7 s
+Duration: 584.3 s
 
-OK:       115
+OK:       125
 Failed:   0
 Warnings: 0
 Skipped:  0