From 91a5834dd701211f929fd25419dc34561ce3b4e7 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 14 Feb 2025 09:15:20 +0100 Subject: Initialize dev docs --- docs/dev/reference/plot.mkinfit.html | 321 +++++++++++++++++++++++++++++++++++ 1 file changed, 321 insertions(+) create mode 100644 docs/dev/reference/plot.mkinfit.html (limited to 'docs/dev/reference/plot.mkinfit.html') diff --git a/docs/dev/reference/plot.mkinfit.html b/docs/dev/reference/plot.mkinfit.html new file mode 100644 index 00000000..ffebd25d --- /dev/null +++ b/docs/dev/reference/plot.mkinfit.html @@ -0,0 +1,321 @@ + +Plot the observed data and the fitted model of an mkinfit object — plot.mkinfit • mkin + Skip to contents + + +
+
+
+ +
+

Solves the differential equations with the optimised and fixed parameters +from a previous successful call to mkinfit and plots the +observed data together with the solution of the fitted model.

+
+ +
+

Usage

+
# S3 method for class 'mkinfit'
+plot(
+  x,
+  fit = x,
+  obs_vars = names(fit$mkinmod$map),
+  xlab = "Time",
+  ylab = "Residue",
+  xlim = range(fit$data$time),
+  ylim = "default",
+  col_obs = 1:length(obs_vars),
+  pch_obs = col_obs,
+  lty_obs = rep(1, length(obs_vars)),
+  add = FALSE,
+  legend = !add,
+  show_residuals = FALSE,
+  show_errplot = FALSE,
+  maxabs = "auto",
+  sep_obs = FALSE,
+  rel.height.middle = 0.9,
+  row_layout = FALSE,
+  lpos = "topright",
+  inset = c(0.05, 0.05),
+  show_errmin = FALSE,
+  errmin_digits = 3,
+  frame = TRUE,
+  ...
+)
+
+plot_sep(
+  fit,
+  show_errmin = TRUE,
+  show_residuals = ifelse(identical(fit$err_mod, "const"), TRUE, "standardized"),
+  ...
+)
+
+plot_res(
+  fit,
+  sep_obs = FALSE,
+  show_errmin = sep_obs,
+  standardized = ifelse(identical(fit$err_mod, "const"), FALSE, TRUE),
+  ...
+)
+
+plot_err(fit, sep_obs = FALSE, show_errmin = sep_obs, ...)
+
+ +
+

Arguments

+ + +
x
+

Alias for fit introduced for compatibility with the generic S3 +method.

+ + +
fit
+

An object of class mkinfit.

+ + +
obs_vars
+

A character vector of names of the observed variables for +which the data and the model should be plotted. Defauls to all observed +variables in the model.

+ + +
xlab
+

Label for the x axis.

+ + +
ylab
+

Label for the y axis.

+ + +
xlim
+

Plot range in x direction.

+ + +
ylim
+

Plot range in y direction. If given as a list, plot ranges +for the different plot rows can be given for row layout.

+ + +
col_obs
+

Colors used for plotting the observed data and the +corresponding model prediction lines.

+ + +
pch_obs
+

Symbols to be used for plotting the data.

+ + +
lty_obs
+

Line types to be used for the model predictions.

+ + +
add
+

Should the plot be added to an existing plot?

+ + +
legend
+

Should a legend be added to the plot?

+ + +
show_residuals
+

Should residuals be shown? If only one plot of the +fits is shown, the residual plot is in the lower third of the plot. +Otherwise, i.e. if "sep_obs" is given, the residual plots will be located +to the right of the plots of the fitted curves. If this is set to +'standardized', a plot of the residuals divided by the standard deviation +given by the fitted error model will be shown.

+ + +
show_errplot
+

Should squared residuals and the error model be shown? +If only one plot of the fits is shown, this plot is in the lower third of +the plot. Otherwise, i.e. if "sep_obs" is given, the residual plots will +be located to the right of the plots of the fitted curves.

+ + +
maxabs
+

Maximum absolute value of the residuals. This is used for the +scaling of the y axis and defaults to "auto".

+ + +
sep_obs
+

Should the observed variables be shown in separate subplots? +If yes, residual plots requested by "show_residuals" will be shown next +to, not below the plot of the fits.

+ + +
rel.height.middle
+

The relative height of the middle plot, if more +than two rows of plots are shown.

+ + +
row_layout
+

Should we use a row layout where the residual plot or the +error model plot is shown to the right?

+ + +
lpos
+

Position(s) of the legend(s). Passed to legend as +the first argument. If not length one, this should be of the same length +as the obs_var argument.

+ + +
inset
+

Passed to legend if applicable.

+ + +
show_errmin
+

Should the FOCUS chi2 error value be shown in the upper +margin of the plot?

+ + +
errmin_digits
+

The number of significant digits for rounding the FOCUS +chi2 error percentage.

+ + +
frame
+

Should a frame be drawn around the plots?

+ + +
...
+

Further arguments passed to plot.

+ + +
standardized
+

When calling 'plot_res', should the residuals be +standardized in the residual plot?

+ +
+
+

Value

+

The function is called for its side effect.

+
+
+

Details

+

If the current plot device is a tikz device, then +latex is being used for the formatting of the chi2 error level, if +show_errmin = TRUE.

+
+
+

Author

+

Johannes Ranke

+
+ +
+

Examples

+

+# One parent compound, one metabolite, both single first order, path from
+# parent to sink included
+# \dontrun{
+SFO_SFO <- mkinmod(parent = mkinsub("SFO", "m1", full = "Parent"),
+                   m1 = mkinsub("SFO", full = "Metabolite M1" ))
+#> Temporary DLL for differentials generated and loaded
+fit <- mkinfit(SFO_SFO, FOCUS_2006_D, quiet = TRUE)
+#> Warning: Observations with value of zero were removed from the data
+fit <- mkinfit(SFO_SFO, FOCUS_2006_D, quiet = TRUE, error_model = "tc")
+#> Warning: Observations with value of zero were removed from the data
+plot(fit)
+
+plot_res(fit)
+
+plot_res(fit, standardized = FALSE)
+
+plot_err(fit)
+
+
+# Show the observed variables separately, with residuals
+plot(fit, sep_obs = TRUE, show_residuals = TRUE, lpos = c("topright", "bottomright"),
+     show_errmin = TRUE)
+
+
+# The same can be obtained with less typing, using the convenience function plot_sep
+plot_sep(fit, lpos = c("topright", "bottomright"))
+
+
+# Show the observed variables separately, with the error model
+plot(fit, sep_obs = TRUE, show_errplot = TRUE, lpos = c("topright", "bottomright"),
+     show_errmin = TRUE)
+
+# }
+
+
+
+
+ + +
+ + + + + + + -- cgit v1.2.1