Better initials for error model parameters

- Also make it possible to specify initial values for error model
parameters.
- Run tests
- Rebuild docs

1 files changed, 11 insertions, 11 deletions

diff --git a/test.log b/test.log
index bcdb550a..04c7f1ce 100644
--- a/test.log
+++ b/test.log
@@ -2,26 +2,26 @@ Loading mkin
 Testing mkin
 ✔ | OK F W S | Context
 
⠏ |  0       | Export dataset for reading into CAKE
⠋ |  1       | Export dataset for reading into CAKE
✔ |  1       | Export dataset for reading into CAKE
-
⠏ |  0       | Error model fitting
⠋ |  1       | Error model fitting
⠙ |  2       | Error model fitting
⠹ |  3       | Error model fitting
⠸ |  4       | Error model fitting
⠼ |  5       | Error model fitting
⠴ |  6       | Error model fitting
⠦ |  7       | Error model fitting
⠧ |  8       | Error model fitting
⠇ |  9       | Error model fitting
⠏ | 10       | Error model fitting
⠋ | 11       | Error model fitting
⠙ | 12       | Error model fitting
✔ | 12       | Error model fitting [164.6 s]
+
⠏ |  0       | Error model fitting
⠋ |  1       | Error model fitting
⠙ |  2       | Error model fitting
⠹ |  3       | Error model fitting
⠸ |  4       | Error model fitting
⠼ |  5       | Error model fitting
⠴ |  6       | Error model fitting
⠦ |  7       | Error model fitting
⠧ |  8       | Error model fitting
⠇ |  9       | Error model fitting
⠏ | 10       | Error model fitting
⠋ | 11       | Error model fitting
⠙ | 12       | Error model fitting
✔ | 12       | Error model fitting [148.0 s]
 
⠏ |  0       | Calculation of FOCUS chi2 error levels
⠋ |  1       | Calculation of FOCUS chi2 error levels
⠙ |  2       | Calculation of FOCUS chi2 error levels
⠹ |  3       | Calculation of FOCUS chi2 error levels
✔ |  3       | Calculation of FOCUS chi2 error levels [2.3 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)
⠹ |  3       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠸ |  4       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠼ |  5       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠴ |  6       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠦ |  7       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠧ |  8       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠇ |  9       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠏ | 10       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠋ | 11       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠙ | 12       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠹ | 13       | 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       | 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)
⠹ |  3       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠸ |  4       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠼ |  5       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠴ |  6       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠦ |  7       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠧ |  8       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠇ |  9       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠏ | 10       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠋ | 11       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠙ | 12       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
⠹ | 13       | Results for FOCUS D established in expertise for UBA (Ranke 2014)
✔ | 13       | Results for FOCUS D established in expertise for UBA (Ranke 2014) [3.7 s]
 
⠏ |  0       | Test fitting the decline of metabolites from their maximum
⠋ |  1       | Test fitting the decline of metabolites from their maximum
⠙ |  2       | Test fitting the decline of metabolites from their maximum
⠹ |  3       | Test fitting the decline of metabolites from their maximum
⠸ |  4       | 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
✔ |  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 [1.0 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
✔ |  1       | Test dataset class mkinds used in gmkin
-
⠏ |  0       | Special cases of mkinfit calls
⠋ |  1       | Special cases of mkinfit calls
⠙ |  2       | Special cases of mkinfit calls
⠹ |  3       | Special cases of mkinfit calls
⠸ |  4       | Special cases of mkinfit calls
⠼ |  5       | Special cases of mkinfit calls
⠴ |  6       | Special cases of mkinfit calls
⠦ |  7       | Special cases of mkinfit calls
⠧ |  8       | 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 [2.8 s]
+
⠏ |  0       | Special cases of mkinfit calls
⠋ |  1       | Special cases of mkinfit calls
⠙ |  2       | Special cases of mkinfit calls
⠹ |  3       | Special cases of mkinfit calls
⠸ |  4       | Special cases of mkinfit calls
⠼ |  5       | Special cases of mkinfit calls
⠴ |  6       | Special cases of mkinfit calls
⠦ |  7       | Special cases of mkinfit calls
⠧ |  8       | 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
⠋ |  1       | mkinmod model generation and printing
⠙ |  2       | mkinmod model generation and printing
⠹ |  3       | mkinmod model generation and printing
⠸ |  4       | mkinmod model generation and printing
⠼ |  5       | mkinmod model generation and printing
⠴ |  6       | mkinmod model generation and printing
⠦ |  7       | mkinmod model generation and printing
⠧ |  8       | 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
⠙ |  2       | Model predictions with mkinpredict
⠹ |  3       | Model predictions with mkinpredict
✔ |  3       | Model predictions with mkinpredict [0.4 s]
-
⠏ |  0       | Evaluations according to 2015 NAFTA guidance
⠋ |  1       | Evaluations according to 2015 NAFTA guidance
⠙ |  2       | Evaluations according to 2015 NAFTA guidance
⠹ |  3       | Evaluations according to 2015 NAFTA guidance
⠸ |  4       | Evaluations according to 2015 NAFTA guidance
⠼ |  5       | Evaluations according to 2015 NAFTA guidance
⠴ |  6       | Evaluations according to 2015 NAFTA guidance
⠦ |  7       | Evaluations according to 2015 NAFTA guidance
⠧ |  8       | Evaluations according to 2015 NAFTA guidance
⠇ |  9       | Evaluations according to 2015 NAFTA guidance
⠏ | 10       | Evaluations according to 2015 NAFTA guidance
⠋ | 11       | Evaluations according to 2015 NAFTA guidance
⠙ | 12       | Evaluations according to 2015 NAFTA guidance
⠹ | 13       | Evaluations according to 2015 NAFTA guidance
⠸ | 14       | Evaluations according to 2015 NAFTA guidance
⠼ | 15       | 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
⠸ | 14       | Fitting of parent only models
⠼ | 15       | Fitting of parent only models
⠴ | 16       | Fitting of parent only models
⠦ | 17       | Fitting of parent only models
⠧ | 18       | Fitting of parent only models
⠇ | 19       | Fitting of parent only models
⠏ | 20       | Fitting of parent only models
⠋ | 21       | Fitting of parent only models
✔ | 21       | Fitting of parent only models [58.1 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) [3.7 s]
+
⠏ |  0       | Model predictions with mkinpredict
⠋ |  1       | Model predictions with mkinpredict
⠙ |  2       | Model predictions with mkinpredict
⠹ |  3       | Model predictions with mkinpredict
✔ |  3       | Model predictions with mkinpredict [0.3 s]
+
⠏ |  0       | Evaluations according to 2015 NAFTA guidance
⠋ |  1       | Evaluations according to 2015 NAFTA guidance
⠙ |  2       | Evaluations according to 2015 NAFTA guidance
⠹ |  3       | Evaluations according to 2015 NAFTA guidance
⠸ |  4       | Evaluations according to 2015 NAFTA guidance
⠼ |  5       | Evaluations according to 2015 NAFTA guidance
⠴ |  6       | Evaluations according to 2015 NAFTA guidance
⠦ |  7       | Evaluations according to 2015 NAFTA guidance
⠧ |  8       | Evaluations according to 2015 NAFTA guidance
⠇ |  9       | Evaluations according to 2015 NAFTA guidance
⠏ | 10       | Evaluations according to 2015 NAFTA guidance
⠋ | 11       | Evaluations according to 2015 NAFTA guidance
⠙ | 12       | Evaluations according to 2015 NAFTA guidance
⠹ | 13       | Evaluations according to 2015 NAFTA guidance
⠸ | 14       | Evaluations according to 2015 NAFTA guidance
⠼ | 15       | Evaluations according to 2015 NAFTA guidance
⠴ | 16       | Evaluations according to 2015 NAFTA guidance
✔ | 16       | Evaluations according to 2015 NAFTA guidance [3.9 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
⠸ | 14       | Fitting of parent only models
⠼ | 15       | Fitting of parent only models
⠴ | 16       | Fitting of parent only models
⠦ | 17       | Fitting of parent only models
⠧ | 18       | Fitting of parent only models
⠇ | 19       | Fitting of parent only models
⠏ | 20       | Fitting of parent only models
⠋ | 21       | Fitting of parent only models
✔ | 21       | Fitting of parent only models [40.0 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       | Summary
⠋ |  1       | Summary
✔ |  1       | Summary
 
⠏ |  0       | Plotting
⠋ |  1       | Plotting
⠙ |  2       | Plotting
⠹ |  3       | Plotting
⠸ |  4       | Plotting
✔ |  4       | Plotting [0.3 s]
 
⠏ |  0       | AIC calculation
⠋ |  1       | AIC calculation
⠙ |  2       | 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
✔ |  2       | Complex test case from Schaefer et al. (2007) Piacenza paper [5.5 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)
⠙ |  2       | 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)
✔ |  4       | Results for synthetic data established in expertise for UBA (Ranke 2014) [7.2 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
✔ |  2       | Complex test case from Schaefer et al. (2007) Piacenza paper [5.3 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)
⠙ |  2       | 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)
✔ |  4       | Results for synthetic data established in expertise for UBA (Ranke 2014) [7.1 s]
 
 ══ Results ═════════════════════════════════════════════════════════════════════
-Duration: 261.0 s
+Duration: 223.4 s
 
 OK:       115
 Failed:   0