diff options
author | Johannes Ranke <jranke@uni-bremen.de> | 2020-05-29 15:03:04 +0200 |
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committer | Johannes Ranke <jranke@uni-bremen.de> | 2020-05-29 15:03:04 +0200 |
commit | 510436646b1bdd5b8cfab70be29334bd3cc9c828 (patch) | |
tree | 4b3e26f658e822e18d09e2d939a5c89214566b6d /man | |
parent | 609bfe2fd7ecbdcad5f5d641f0db51541dcd6a4e (diff) |
Warn if standardized residuals are unlikely normal
This revealed a bug in the data returned in mkinfit$data in the case
of the d_3 algorithm, which also affected the residual plot - the
data from the direct fitting was not returned even if this was
the better method.
Diffstat (limited to 'man')
-rw-r--r-- | man/mkinfit.Rd | 63 |
1 files changed, 0 insertions, 63 deletions
diff --git a/man/mkinfit.Rd b/man/mkinfit.Rd index 5e6b242e..748dcb50 100644 --- a/man/mkinfit.Rd +++ b/man/mkinfit.Rd @@ -214,69 +214,6 @@ When using the "IORE" submodel for metabolites, fitting with numerical ODE solver. In this situation it may help to switch off the internal rate transformation. } -\examples{ - -# Use shorthand notation for parent only degradation -fit <- mkinfit("FOMC", FOCUS_2006_C, quiet = TRUE) -summary(fit) - -# One parent compound, one metabolite, both single first order. -# Use mkinsub for convenience in model formulation. Pathway to sink included per default. -SFO_SFO <- mkinmod( - parent = mkinsub("SFO", "m1"), - m1 = mkinsub("SFO")) -# Fit the model to the FOCUS example dataset D using defaults -print(system.time(fit <- mkinfit(SFO_SFO, FOCUS_2006_D, - solution_type = "eigen", quiet = TRUE))) -parms(fit) -endpoints(fit) -\dontrun{ -# deSolve is slower when no C compiler (gcc) was available during model generation -print(system.time(fit.deSolve <- mkinfit(SFO_SFO, FOCUS_2006_D, - solution_type = "deSolve"))) -parms(fit.deSolve) -endpoints(fit.deSolve) -} - -# Use stepwise fitting, using optimised parameters from parent only fit, FOMC -\dontrun{ -FOMC_SFO <- mkinmod( - parent = mkinsub("FOMC", "m1"), - m1 = mkinsub("SFO")) -# Fit the model to the FOCUS example dataset D using defaults -fit.FOMC_SFO <- mkinfit(FOMC_SFO, FOCUS_2006_D, quiet = TRUE) -# Use starting parameters from parent only FOMC fit -fit.FOMC = mkinfit("FOMC", FOCUS_2006_D, quiet = TRUE) -fit.FOMC_SFO <- mkinfit(FOMC_SFO, FOCUS_2006_D, quiet = TRUE, - parms.ini = fit.FOMC$bparms.ode) - -# Use stepwise fitting, using optimised parameters from parent only fit, SFORB -SFORB_SFO <- mkinmod( - parent = list(type = "SFORB", to = "m1", sink = TRUE), - m1 = list(type = "SFO")) -# Fit the model to the FOCUS example dataset D using defaults -fit.SFORB_SFO <- mkinfit(SFORB_SFO, FOCUS_2006_D, quiet = TRUE) -fit.SFORB_SFO.deSolve <- mkinfit(SFORB_SFO, FOCUS_2006_D, solution_type = "deSolve", - quiet = TRUE) -# Use starting parameters from parent only SFORB fit (not really needed in this case) -fit.SFORB = mkinfit("SFORB", FOCUS_2006_D, quiet = TRUE) -fit.SFORB_SFO <- mkinfit(SFORB_SFO, FOCUS_2006_D, parms.ini = fit.SFORB$bparms.ode, quiet = TRUE) -} - -\dontrun{ -# Weighted fits, including IRLS (error_model = "obs") -SFO_SFO.ff <- mkinmod(parent = mkinsub("SFO", "m1"), - m1 = mkinsub("SFO"), use_of_ff = "max") -f.noweight <- mkinfit(SFO_SFO.ff, FOCUS_2006_D, quiet = TRUE) -summary(f.noweight) -f.obs <- mkinfit(SFO_SFO.ff, FOCUS_2006_D, error_model = "obs", quiet = TRUE) -summary(f.obs) -f.tc <- mkinfit(SFO_SFO.ff, FOCUS_2006_D, error_model = "tc", quiet = TRUE) -summary(f.tc) -} - - -} \references{ Rocke DM and Lorenzato S (1995) A two-component model for measurement error in analytical chemistry. \emph{Technometrics} 37(2), 176-184. |