Reintroduce interface to saemix

Also after the upgrade from buster to bullseye of my local system, some test results for saemix have changed.
author: Johannes Ranke <jranke@uni-bremen.de> 2021-02-06 18:30:32 +0100
committer: Johannes Ranke <jranke@uni-bremen.de> 2021-02-06 18:30:32 +0100
commit: 48c463680b51fa767b4cd7bd62865f192d0354ac (patch)
tree: 5b66eb08a7fd5e29fb7e6d3a9a8258ccdcaea73e
parent: 2ee20b257e34210e2d1f044431f3bfe059c9c5e7 (diff)
58 files changed, 4938 insertions, 3550 deletions
diff --git a/.travis.yml b/.travis.yml
index 282f1302..6c03b451 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -11,8 +11,6 @@ addons:
 cache: packages
 repos:
   CRAN: https://cloud.r-project.org
-r_github_packages:
-  - saemixdevelopment/saemixextension@master
 script:
   - R CMD build .
   - R CMD check --no-tests mkin_*.tar.gz
diff --git a/DESCRIPTION b/DESCRIPTION
index dd57aefa..15871070 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -1,7 +1,7 @@
 Package: mkin
 Type: Package
 Title: Kinetic Evaluation of Chemical Degradation Data
-Version: 1.0.1
+Version: 1.0.1.9000
 Date: 2021-02-06
 Authors@R: c(
   person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
@@ -19,9 +19,10 @@ Description: Calculation routines based on the FOCUS Kinetics Report (2006,
   particular purpose.
 Depends: R (>= 2.15.1), parallel
 Imports: stats, graphics, methods, deSolve, R6, inline (>= 0.3.17), numDeriv,
-  lmtest, pkgbuild, nlme (>= 3.1-151), purrr
+  lmtest, pkgbuild, nlme (>= 3.1-151), purrr, saemix (>= 3.1.9000)
 Suggests: knitr, rbenchmark, tikzDevice, testthat, rmarkdown, covr, vdiffr,
   benchmarkme, tibble, stats4
+Remotes: github::saemixdevelopment/saemixextension
 License: GPL
 LazyLoad: yes
 LazyData: yes
diff --git a/NAMESPACE b/NAMESPACE
index 9776d2f3..f2497283 100644
--- a/NAMESPACE
+++ b/NAMESPACE
@@ -30,11 +30,15 @@ S3method(print,mkinmod)
 S3method(print,mmkin)
 S3method(print,nafta)
 S3method(print,nlme.mmkin)
+S3method(print,saem.mmkin)
 S3method(print,summary.mkinfit)
 S3method(print,summary.nlme.mmkin)
+S3method(print,summary.saem.mmkin)
 S3method(residuals,mkinfit)
+S3method(saem,mmkin)
 S3method(summary,mkinfit)
 S3method(summary,nlme.mmkin)
+S3method(summary,saem.mmkin)
 S3method(update,mkinfit)
 S3method(update,mmkin)
 S3method(update,nlme.mmkin)
@@ -86,6 +90,9 @@ export(parms)
 export(plot_err)
 export(plot_res)
 export(plot_sep)
+export(saem)
+export(saemix_data)
+export(saemix_model)
 export(sigma_twocomp)
 export(transform_odeparms)
 import(deSolve)
@@ -126,5 +133,6 @@ importFrom(stats,residuals)
 importFrom(stats,rnorm)
 importFrom(stats,shapiro.test)
 importFrom(stats,update)
+importFrom(stats,vcov)
 importFrom(utils,getFromNamespace)
 importFrom(utils,write.table)
diff --git a/NEWS.md b/NEWS.md
index 124111d6..08745e9f 100644
--- a/NEWS.md
+++ b/NEWS.md
@@ -1,3 +1,13 @@
+# mkin 1.0.1.9000
+
+- Switch to a versioning scheme where the fourth version component indicates development versions
+
+- Reintroduce the interface to the current development version of saemix, in particular:
+
+- 'saemix_model' and 'saemix_data': Helper functions to set up nonlinear mixed-effects models for mmkin row objects
+
+- 'saem': generic function to fit saemix models using 'saemix_model' and 'saemix_data', with a generator 'saem.mmkin', summary and plot methods
+
 # mkin 1.0.1
 
 - 'confint.mmkin', 'nlme.mmkin', 'transform_odeparms': Fix example code in dontrun sections that failed with current defaults
diff --git a/R/endpoints.R b/R/endpoints.R
index b5872e68..f1f47581 100644
--- a/R/endpoints.R
+++ b/R/endpoints.R
@@ -10,8 +10,8 @@
 #' Additional DT50 values are calculated from the FOMC DT90 and k1 and k2 from
 #' HS and DFOP, as well as from Eigenvalues b1 and b2 of any SFORB models
 #'
-#' @param fit An object of class [mkinfit] or [nlme.mmkin] 
-#'  or another object that has list components
+#' @param fit An object of class [mkinfit], [nlme.mmkin] or
+#'  [saem.mmkin]. Or another object that has list components
 #'  mkinmod containing an [mkinmod] degradation model, and two numeric vectors,
 #'  bparms.optim and bparms.fixed, that contain parameter values
 #'  for that model.
@@ -20,8 +20,8 @@
 #'   and, if applicable, a vector of formation fractions named ff
 #'   and, if the SFORB model was in use, a vector of eigenvalues
 #'   of these SFORB models, equivalent to DFOP rate constants
-#' @note The function is used internally by [summary.mkinfit]
-#'   and [summary.nlme.mmkin]
+#' @note The function is used internally by [summary.mkinfit],
+#'   [summary.nlme.mmkin] and [summary.saem.mmkin].
 #' @author Johannes Ranke
 #' @examples
 #'
diff --git a/R/plot.mixed.mmkin.R b/R/plot.mixed.mmkin.R
index 5a0b7412..1674d855 100644
--- a/R/plot.mixed.mmkin.R
+++ b/R/plot.mixed.mmkin.R
@@ -2,7 +2,7 @@ utils::globalVariables("ds")
 
 #' Plot predictions from a fitted nonlinear mixed model obtained via an mmkin row object
 #'
-#' @param x An object of class [mixed.mmkin], [nlme.mmkin]
+#' @param x An object of class [mixed.mmkin], [saem.mmkin] or [nlme.mmkin]
 #' @param i A numeric index to select datasets for which to plot the individual predictions,
 #'   in case plots get too large
 #' @inheritParams plot.mkinfit
@@ -39,6 +39,15 @@ utils::globalVariables("ds")
 #' f_nlme <- nlme(f, control = list(pnlsMaxIter = 120, tolerance = 1e-3))
 #' plot(f_nlme)
 #'
+#' f_saem <- saem(f, transformations = "saemix")
+#' plot(f_saem)
+#'
+#' # We can overlay the two variants if we generate predictions
+#' pred_nlme <- mkinpredict(dfop_sfo,
+#'   f_nlme$bparms.optim[-1],
+#'   c(parent = f_nlme$bparms.optim[[1]], A1 = 0),
+#'   seq(0, 180, by = 0.2))
+#' plot(f_saem, pred_over = list(nlme = pred_nlme))
 #' }
 #' @export
 plot.mixed.mmkin <- function(x,
@@ -82,6 +91,18 @@ plot.mixed.mmkin <- function(x,
       type = ifelse(standardized, "pearson", "response"))
   }
 
+  if (inherits(x, "saem.mmkin")) {
+    if (x$transformations == "saemix") backtransform = FALSE
+    degparms_i <- saemix::psi(x$so)
+    rownames(degparms_i) <- ds_names
+    degparms_i_names <- setdiff(x$so@results@name.fixed, names(fit_1$errparms))
+    colnames(degparms_i) <- degparms_i_names
+    residual_type = ifelse(standardized, "standardized", "residual")
+    residuals <- x$data[[residual_type]]
+    degparms_pop <- x$so@results@fixed.effects
+    names(degparms_pop) <- degparms_i_names
+  }
+
   degparms_fixed <- fit_1$fixed$value
   names(degparms_fixed) <- rownames(fit_1$fixed)
   degparms_all <- cbind(as.matrix(degparms_i),
diff --git a/R/saem.R b/R/saem.R
new file mode 100644
index 00000000..fd2a77b4
--- /dev/null
+++ b/R/saem.R
@@ -0,0 +1,512 @@
+utils::globalVariables(c("predicted", "std"))
+
+#' Fit nonlinear mixed models with SAEM
+#'
+#' This function uses [saemix::saemix()] as a backend for fitting nonlinear mixed
+#' effects models created from [mmkin] row objects using the Stochastic Approximation
+#' Expectation Maximisation algorithm (SAEM).
+#'
+#' An mmkin row object is essentially a list of mkinfit objects that have been
+#' obtained by fitting the same model to a list of datasets using [mkinfit].
+#'
+#' Starting values for the fixed effects (population mean parameters, argument
+#' psi0 of [saemix::saemixModel()] are the mean values of the parameters found
+#' using [mmkin].
+#'
+#' @param object An [mmkin] row object containing several fits of the same
+#'   [mkinmod] model to different datasets
+#' @param verbose Should we print information about created objects of
+#'   type [saemix::SaemixModel] and [saemix::SaemixData]?
+#' @param transformations Per default, all parameter transformations are done
+#'   in mkin. If this argument is set to 'saemix', parameter transformations
+#'   are done in 'saemix' for the supported cases. Currently this is only
+#'   supported in cases where the initial concentration of the parent is not fixed,
+#'   SFO or DFOP is used for the parent and there is either no metabolite or one.
+#' @param degparms_start Parameter values given as a named numeric vector will
+#'   be used to override the starting values obtained from the 'mmkin' object.
+#' @param solution_type Possibility to specify the solution type in case the
+#'   automatic choice is not desired
+#' @param quiet Should we suppress the messages saemix prints at the beginning
+#'   and the end of the optimisation process?
+#' @param control Passed to [saemix::saemix]
+#' @param \dots Further parameters passed to [saemix::saemixModel].
+#' @return An S3 object of class 'saem.mmkin', containing the fitted
+#'   [saemix::SaemixObject] as a list component named 'so'. The
+#'   object also inherits from 'mixed.mmkin'.
+#' @seealso [summary.saem.mmkin] [plot.mixed.mmkin]
+#' @examples
+#' \dontrun{
+#' ds <- lapply(experimental_data_for_UBA_2019[6:10],
+#'  function(x) subset(x$data[c("name", "time", "value")]))
+#' names(ds) <- paste("Dataset", 6:10)
+#' f_mmkin_parent_p0_fixed <- mmkin("FOMC", ds,
+#'   state.ini = c(parent = 100), fixed_initials = "parent", quiet = TRUE)
+#' f_saem_p0_fixed <- saem(f_mmkin_parent_p0_fixed)
+#'
+#' f_mmkin_parent <- mmkin(c("SFO", "FOMC", "DFOP"), ds, quiet = TRUE)
+#' f_saem_sfo <- saem(f_mmkin_parent["SFO", ])
+#' f_saem_fomc <- saem(f_mmkin_parent["FOMC", ])
+#' f_saem_dfop <- saem(f_mmkin_parent["DFOP", ])
+#'
+#' # The returned saem.mmkin object contains an SaemixObject, therefore we can use
+#' # functions from saemix
+#' library(saemix)
+#' compare.saemix(list(f_saem_sfo$so, f_saem_fomc$so, f_saem_dfop$so))
+#' plot(f_saem_fomc$so, plot.type = "convergence")
+#' plot(f_saem_fomc$so, plot.type = "individual.fit")
+#' plot(f_saem_fomc$so, plot.type = "npde")
+#' plot(f_saem_fomc$so, plot.type = "vpc")
+#'
+#' f_mmkin_parent_tc <- update(f_mmkin_parent, error_model = "tc")
+#' f_saem_fomc_tc <- saem(f_mmkin_parent_tc["FOMC", ])
+#' compare.saemix(list(f_saem_fomc$so, f_saem_fomc_tc$so))
+#'
+#' sfo_sfo <- mkinmod(parent = mkinsub("SFO", "A1"),
+#'   A1 = mkinsub("SFO"))
+#' fomc_sfo <- mkinmod(parent = mkinsub("FOMC", "A1"),
+#'   A1 = mkinsub("SFO"))
+#' dfop_sfo <- mkinmod(parent = mkinsub("DFOP", "A1"),
+#'   A1 = mkinsub("SFO"))
+#' # The following fit uses analytical solutions for SFO-SFO and DFOP-SFO,
+#' # and compiled ODEs for FOMC that are much slower
+#' f_mmkin <- mmkin(list(
+#'     "SFO-SFO" = sfo_sfo, "FOMC-SFO" = fomc_sfo, "DFOP-SFO" = dfop_sfo),
+#'   ds, quiet = TRUE)
+#' # saem fits of SFO-SFO and DFOP-SFO to these data take about five seconds
+#' # each on this system, as we use analytical solutions written for saemix.
+#' # When using the analytical solutions written for mkin this took around
+#' # four minutes
+#' f_saem_sfo_sfo <- saem(f_mmkin["SFO-SFO", ])
+#' f_saem_dfop_sfo <- saem(f_mmkin["DFOP-SFO", ])
+#' # We can use print, plot and summary methods to check the results
+#' print(f_saem_dfop_sfo)
+#' plot(f_saem_dfop_sfo)
+#' summary(f_saem_dfop_sfo, data = TRUE)
+#'
+#' # The following takes about 6 minutes
+#' #f_saem_dfop_sfo_deSolve <- saem(f_mmkin["DFOP-SFO", ], solution_type = "deSolve",
+#' #  control = list(nbiter.saemix = c(200, 80), nbdisplay = 10))
+#'
+#' #saemix::compare.saemix(list(
+#' #  f_saem_dfop_sfo$so,
+#' #  f_saem_dfop_sfo_deSolve$so))
+#'
+#' # If the model supports it, we can also use eigenvalue based solutions, which
+#' # take a similar amount of time
+#' #f_saem_sfo_sfo_eigen <- saem(f_mmkin["SFO-SFO", ], solution_type = "eigen",
+#' #  control = list(nbiter.saemix = c(200, 80), nbdisplay = 10))
+#' }
+#' @export
+saem <- function(object, ...) UseMethod("saem")
+
+#' @rdname saem
+#' @export
+saem.mmkin <- function(object,
+  transformations = c("mkin", "saemix"),
+  degparms_start = numeric(),
+  solution_type = "auto",
+  control = list(displayProgress = FALSE, print = FALSE,
+    save = FALSE, save.graphs = FALSE),
+  verbose = FALSE, quiet = FALSE, ...)
+{
+  transformations <- match.arg(transformations)
+  m_saemix <- saemix_model(object, verbose = verbose,
+    degparms_start = degparms_start, solution_type = solution_type,
+    transformations = transformations, ...)
+  d_saemix <- saemix_data(object, verbose = verbose)
+
+  fit_time <- system.time({
+    utils::capture.output(f_saemix <- saemix::saemix(m_saemix, d_saemix, control), split = !quiet)
+  })
+
+  transparms_optim <- f_saemix@results@fixed.effects
+  names(transparms_optim) <- f_saemix@results@name.fixed
+
+  if (transformations == "mkin") {
+    bparms_optim <- backtransform_odeparms(transparms_optim,
+      object[[1]]$mkinmod,
+      object[[1]]$transform_rates,
+      object[[1]]$transform_fractions)
+  } else {
+    bparms_optim <- transparms_optim
+  }
+
+  return_data <- nlme_data(object)
+
+  return_data$predicted <- f_saemix@model@model(
+    psi = saemix::psi(f_saemix),
+    id = as.numeric(return_data$ds),
+    xidep = return_data[c("time", "name")])
+
+  return_data <- transform(return_data,
+    residual = predicted - value,
+    std = sigma_twocomp(predicted,
+      f_saemix@results@respar[1], f_saemix@results@respar[2]))
+  return_data <- transform(return_data,
+    standardized = residual / std)
+
+  result <- list(
+    mkinmod = object[[1]]$mkinmod,
+    mmkin = object,
+    solution_type = object[[1]]$solution_type,
+    transformations = transformations,
+    transform_rates = object[[1]]$transform_rates,
+    transform_fractions = object[[1]]$transform_fractions,
+    so = f_saemix,
+    time = fit_time,
+    mean_dp_start = attr(m_saemix, "mean_dp_start"),
+    bparms.optim = bparms_optim,
+    bparms.fixed = object[[1]]$bparms.fixed,
+    data = return_data,
+    err_mod = object[[1]]$err_mod,
+    date.fit = date(),
+    saemixversion = as.character(utils::packageVersion("saemix")),
+    mkinversion = as.character(utils::packageVersion("mkin")),
+    Rversion = paste(R.version$major, R.version$minor, sep=".")
+  )
+
+  class(result) <- c("saem.mmkin", "mixed.mmkin")
+  return(result)
+}
+
+#' @export
+#' @rdname saem
+#' @param x An saem.mmkin object to print
+#' @param digits Number of digits to use for printing
+print.saem.mmkin <- function(x, digits = max(3, getOption("digits") - 3), ...) {
+  cat( "Kinetic nonlinear mixed-effects model fit by SAEM" )
+  cat("\nStructural model:\n")
+  diffs <- x$mmkin[[1]]$mkinmod$diffs
+  nice_diffs <- gsub("^(d.*) =", "\\1/dt =", diffs)
+  writeLines(strwrap(nice_diffs, exdent = 11))
+  cat("\nData:\n")
+  cat(nrow(x$data), "observations of",
+    length(unique(x$data$name)), "variable(s) grouped in",
+    length(unique(x$data$ds)), "datasets\n")
+
+  cat("\nLikelihood computed by importance sampling\n")
+  print(data.frame(
+      AIC = AIC(x$so, type = "is"),
+      BIC = BIC(x$so, type = "is"),
+      logLik = logLik(x$so, type = "is"),
+      row.names = " "), digits = digits)
+
+  cat("\nFitted parameters:\n")
+  conf.int <- x$so@results@conf.int[c("estimate", "lower", "upper")]
+  rownames(conf.int) <- x$so@results@conf.int[["name"]]
+  print(conf.int, digits = digits)
+
+  invisible(x)
+}
+
+#' @rdname saem
+#' @return An [saemix::SaemixModel] object.
+#' @export
+saemix_model <- function(object, solution_type = "auto", transformations = c("mkin", "saemix"),
+  degparms_start = numeric(), verbose = FALSE, ...)
+{
+  if (nrow(object) > 1) stop("Only row objects allowed")
+
+  mkin_model <- object[[1]]$mkinmod
+
+  degparms_optim <-  mean_degparms(object)
+  if (transformations == "saemix") {
+    degparms_optim <- backtransform_odeparms(degparms_optim,
+      object[[1]]$mkinmod,
+      object[[1]]$transform_rates,
+      object[[1]]$transform_fractions)
+  }
+  degparms_fixed <- object[[1]]$bparms.fixed
+
+  # Transformations are done in the degradation function
+  transform.par = rep(0, length(degparms_optim))
+
+  odeini_optim_parm_names <- grep('_0$', names(degparms_optim), value = TRUE)
+  odeini_fixed_parm_names <- grep('_0$', names(degparms_fixed), value = TRUE)
+
+  odeparms_fixed_names <- setdiff(names(degparms_fixed), odeini_fixed_parm_names)
+  odeparms_fixed <- degparms_fixed[odeparms_fixed_names]
+
+  odeini_fixed <- degparms_fixed[odeini_fixed_parm_names]
+  names(odeini_fixed) <- gsub('_0$', '', odeini_fixed_parm_names)
+
+  model_function <- FALSE
+
+  # Model functions with analytical solutions
+  # Fixed parameters, use_of_ff = "min" and turning off sinks currently not supported here
+  # In general, we need to consider exactly how the parameters in mkinfit were specified,
+  # as the parameters are currently mapped by position in these solutions
+  sinks <- sapply(mkin_model$spec, function(x) x$sink)
+  if (length(odeparms_fixed) == 0 & mkin_model$use_of_ff == "max" & all(sinks)) {
+    # Parent only
+    if (length(mkin_model$spec) == 1) {
+      parent_type <- mkin_model$spec[[1]]$type
+      if (length(odeini_fixed) == 1) {
+        if (parent_type == "SFO") {
+          stop("saemix needs at least two parameters to work on.")
+        }
+        if (parent_type == "FOMC") {
+          model_function <- function(psi, id, xidep) {
+            odeini_fixed / (xidep[, "time"]/exp(psi[id, 2]) + 1)^exp(psi[id, 1])
+          }
+        }
+        if (parent_type == "DFOP") {
+          model_function <- function(psi, id, xidep) {
+            g <- plogis(psi[id, 3])
+            t <- xidep[, "time"]
+            odeini_fixed * (g * exp(- exp(psi[id, 1]) * t) +
+              (1 - g) * exp(- exp(psi[id, 2]) * t))
+          }
+        }
+        if (parent_type == "HS") {
+          model_function <- function(psi, id, xidep) {
+            tb <- exp(psi[id, 3])
+            t <- xidep[, "time"]
+            k1 = exp(psi[id, 1])
+            odeini_fixed * ifelse(t <= tb,
+              exp(- k1 * t),
+              exp(- k1 * tb) * exp(- exp(psi[id, 2]) * (t - tb)))
+          }
+        }
+      } else {
+        if (parent_type == "SFO") {
+          if (transformations == "mkin") {
+            model_function <- function(psi, id, xidep) {
+              psi[id, 1] * exp( - exp(psi[id, 2]) * xidep[, "time"])
+            }
+          } else {
+            model_function <- function(psi, id, xidep) {
+              psi[id, 1] * exp( - psi[id, 2] * xidep[, "time"])
+            }
+            transform.par = c(0, 1)
+          }
+        }
+        if (parent_type == "FOMC") {
+          model_function <- function(psi, id, xidep) {
+            psi[id, 1] / (xidep[, "time"]/exp(psi[id, 3]) + 1)^exp(psi[id, 2])
+          }
+        }
+        if (parent_type == "DFOP") {
+          if (transformations == "mkin") {
+            model_function <- function(psi, id, xidep) {
+              g <- plogis(psi[id, 4])
+              t <- xidep[, "time"]
+              psi[id, 1] * (g * exp(- exp(psi[id, 2]) * t) +
+                (1 - g) * exp(- exp(psi[id, 3]) * t))
+            }
+          } else {
+            model_function <- function(psi, id, xidep) {
+              g <- psi[id, 4]
+              t <- xidep[, "time"]
+              psi[id, 1] * (g * exp(- psi[id, 2] * t) +
+                (1 - g) * exp(- psi[id, 3] * t))
+            }
+            transform.par = c(0, 1, 1, 3)
+          }
+        }
+        if (parent_type == "HS") {
+          model_function <- function(psi, id, xidep) {
+            tb <- exp(psi[id, 4])
+            t <- xidep[, "time"]
+            k1 = exp(psi[id, 2])
+            psi[id, 1] * ifelse(t <= tb,
+              exp(- k1 * t),
+              exp(- k1 * tb) * exp(- exp(psi[id, 3]) * (t - tb)))
+          }
+        }
+      }
+    }
+
+    # Parent with one metabolite
+    # Parameter names used in the model functions are as in
+    # https://nbviewer.jupyter.org/urls/jrwb.de/nb/Symbolic%20ODE%20solutions%20for%20mkin.ipynb
+    types <- unname(sapply(mkin_model$spec, function(x) x$type))
+    if (length(mkin_model$spec) == 2 &! "SFORB" %in% types ) {
+      # Initial value for the metabolite (n20) must be fixed
+      if (names(odeini_fixed) == names(mkin_model$spec)[2]) {
+        n20 <- odeini_fixed
+        parent_name <- names(mkin_model$spec)[1]
+        if (identical(types, c("SFO", "SFO"))) {
+          if (transformations == "mkin") {
+            model_function <- function(psi, id, xidep) {
+              t <- xidep[, "time"]
+              n10 <- psi[id, 1]
+              k1 <- exp(psi[id, 2])
+              k2 <- exp(psi[id, 3])
+              f12 <- plogis(psi[id, 4])
+              ifelse(xidep[, "name"] == parent_name,
+                n10 * exp(- k1 * t),
+                (((k2 - k1) * n20 - f12 * k1 * n10) * exp(- k2 * t)) / (k2 - k1) +
+                  (f12 * k1 * n10 * exp(- k1 * t)) / (k2 - k1)
+              )
+            }
+          } else {
+            model_function <- function(psi, id, xidep) {
+              t <- xidep[, "time"]
+              n10 <- psi[id, 1]
+              k1 <- psi[id, 2]
+              k2 <- psi[id, 3]
+              f12 <- psi[id, 4]
+              ifelse(xidep[, "name"] == parent_name,
+                n10 * exp(- k1 * t),
+                (((k2 - k1) * n20 - f12 * k1 * n10) * exp(- k2 * t)) / (k2 - k1) +
+                  (f12 * k1 * n10 * exp(- k1 * t)) / (k2 - k1)
+              )
+            }
+            transform.par = c(0, 1, 1, 3)
+          }
+        }
+        if (identical(types, c("DFOP", "SFO"))) {
+          if (transformations == "mkin") {
+            model_function <- function(psi, id, xidep) {
+              t <- xidep[, "time"]
+              n10 <- psi[id, 1]
+              k2 <- exp(psi[id, 2])
+              f12 <- plogis(psi[id, 3])
+              l1 <- exp(psi[id, 4])
+              l2 <- exp(psi[id, 5])
+              g <- plogis(psi[id, 6])
+              ifelse(xidep[, "name"] == parent_name,
+                n10 * (g * exp(- l1 * t) + (1 - g) * exp(- l2 * t)),
+                ((f12 * g - f12) * l2 * n10 * exp(- l2 * t)) / (l2 - k2) -
+                  (f12 * g * l1 * n10 * exp(- l1 * t)) / (l1 - k2) +
+                  ((((l1 - k2) * l2 - k2 * l1 + k2^2) * n20 +
+                      ((f12 * l1 + (f12 * g - f12) * k2) * l2 -
+                        f12 * g * k2 * l1) * n10) * exp( - k2 * t)) /
+                  ((l1 - k2) * l2 - k2 * l1 + k2^2)
+              )
+            }
+          } else {
+            model_function <- function(psi, id, xidep) {
+              t <- xidep[, "time"]
+              n10 <- psi[id, 1]
+              k2 <- psi[id, 2]
+              f12 <- psi[id, 3]
+              l1 <- psi[id, 4]
+              l2 <- psi[id, 5]
+              g <- psi[id, 6]
+              ifelse(xidep[, "name"] == parent_name,
+                n10 * (g * exp(- l1 * t) + (1 - g) * exp(- l2 * t)),
+                ((f12 * g - f12) * l2 * n10 * exp(- l2 * t)) / (l2 - k2) -
+                  (f12 * g * l1 * n10 * exp(- l1 * t)) / (l1 - k2) +
+                  ((((l1 - k2) * l2 - k2 * l1 + k2^2) * n20 +
+                      ((f12 * l1 + (f12 * g - f12) * k2) * l2 -
+                        f12 * g * k2 * l1) * n10) * exp( - k2 * t)) /
+                  ((l1 - k2) * l2 - k2 * l1 + k2^2)
+              )
+            }
+            transform.par = c(0, 1, 3, 1, 1, 3)
+          }
+        }
+      }
+    }
+  }
+
+  if (is.function(model_function) & solution_type == "auto") {
+    solution_type = "analytical saemix"
+  } else {
+
+    if (solution_type == "auto")
+      solution_type <- object[[1]]$solution_type
+
+    model_function <- function(psi, id, xidep) {
+
+      uid <- unique(id)
+
+      res_list <- lapply(uid, function(i) {
+
+        transparms_optim <- as.numeric(psi[i, ]) # psi[i, ] is a dataframe when called in saemix.predict
+        names(transparms_optim) <- names(degparms_optim)
+
+        odeini_optim <- transparms_optim[odeini_optim_parm_names]
+        names(odeini_optim) <- gsub('_0$', '', odeini_optim_parm_names)
+
+        odeini <- c(odeini_optim, odeini_fixed)[names(mkin_model$diffs)]
+
+        ode_transparms_optim_names <- setdiff(names(transparms_optim), odeini_optim_parm_names)
+        odeparms_optim <- backtransform_odeparms(transparms_optim[ode_transparms_optim_names], mkin_model,
+          transform_rates = object[[1]]$transform_rates,
+          transform_fractions = object[[1]]$transform_fractions)
+        odeparms <- c(odeparms_optim, odeparms_fixed)
+
+        xidep_i <- subset(xidep, id == i)
+
+        if (solution_type == "analytical") {
+          out_values <- mkin_model$deg_func(xidep_i, odeini, odeparms)
+        } else {
+
+          i_time <- xidep_i$time
+          i_name <- xidep_i$name
+
+          out_wide <- mkinpredict(mkin_model,
+            odeparms = odeparms, odeini = odeini,
+            solution_type = solution_type,
+            outtimes = sort(unique(i_time)),
+            na_stop = FALSE
+          )
+
+          out_index <- cbind(as.character(i_time), as.character(i_name))
+          out_values <- out_wide[out_index]
+        }
+        return(out_values)
+      })
+      res <- unlist(res_list)
+      return(res)
+    }
+  }
+
+  error.model <- switch(object[[1]]$err_mod,
+    const = "constant",
+    tc = "combined",
+    obs = "constant")
+
+  if (object[[1]]$err_mod == "obs") {
+    warning("The error model 'obs' (variance by variable) can currently not be transferred to an saemix model")
+  }
+
+  error.init <- switch(object[[1]]$err_mod,
+    const = c(a = mean(sapply(object, function(x) x$errparms)), b = 1),
+    tc = c(a = mean(sapply(object, function(x) x$errparms[1])),
+      b = mean(sapply(object, function(x) x$errparms[2]))),
+    obs = c(a = mean(sapply(object, function(x) x$errparms)), b = 1))
+
+  degparms_psi0 <- degparms_optim
+  degparms_psi0[names(degparms_start)] <- degparms_start
+  psi0_matrix <- matrix(degparms_psi0, nrow = 1)
+  colnames(psi0_matrix) <- names(degparms_psi0)
+
+  res <- saemix::saemixModel(model_function,
+    psi0 = psi0_matrix,
+    "Mixed model generated from mmkin object",
+    transform.par = transform.par,
+    error.model = error.model,
+    verbose = verbose
+  )
+  attr(res, "mean_dp_start") <- degparms_optim
+  return(res)
+}
+
+#' @rdname saem
+#' @return An [saemix::SaemixData] object.
+#' @export
+saemix_data <- function(object, verbose = FALSE, ...) {
+  if (nrow(object) > 1) stop("Only row objects allowed")
+  ds_names <- colnames(object)
+
+  ds_list <- lapply(object, function(x) x$data[c("time", "variable", "observed")])
+  names(ds_list) <- ds_names
+  ds_saemix_all <- purrr::map_dfr(ds_list, function(x) x, .id = "ds")
+  ds_saemix <- data.frame(ds = ds_saemix_all$ds,
+    name = as.character(ds_saemix_all$variable),
+    time = ds_saemix_all$time,
+    value = ds_saemix_all$observed,
+    stringsAsFactors = FALSE)
+
+  res <- saemix::saemixData(ds_saemix,
+    name.group = "ds",
+    name.predictors = c("time", "name"),
+    name.response = "value",
+    verbose = verbose,
+    ...)
+  return(res)
+}
diff --git a/R/summary.saem.mmkin.R b/R/summary.saem.mmkin.R
new file mode 100644
index 00000000..e92c561c
--- /dev/null
+++ b/R/summary.saem.mmkin.R
@@ -0,0 +1,268 @@
+#' Summary method for class "saem.mmkin"
+#'
+#' Lists model equations, initial parameter values, optimised parameters
+#' for fixed effects (population), random effects (deviations from the
+#' population mean) and residual error model, as well as the resulting
+#' endpoints such as formation fractions and DT50 values. Optionally
+#' (default is FALSE), the data are listed in full.
+#'
+#' @param object an object of class [saem.mmkin]
+#' @param x an object of class [summary.saem.mmkin]
+#' @param data logical, indicating whether the full data should be included in
+#'   the summary.
+#' @param verbose Should the summary be verbose?
+#' @param distimes logical, indicating whether DT50 and DT90 values should be
+#'   included.
+#' @param digits Number of digits to use for printing
+#' @param \dots optional arguments passed to methods like \code{print}.
+#' @return The summary function returns a list based on the [saemix::SaemixObject]
+#'   obtained in the fit, with at least the following additional components
+#'   \item{saemixversion, mkinversion, Rversion}{The saemix, mkin and R versions used}
+#'   \item{date.fit, date.summary}{The dates where the fit and the summary were
+#'     produced}
+#'   \item{diffs}{The differential equations used in the degradation model}
+#'   \item{use_of_ff}{Was maximum or minimum use made of formation fractions}
+#'   \item{data}{The data}
+#'   \item{confint_trans}{Transformed parameters as used in the optimisation, with confidence intervals}
+#'   \item{confint_back}{Backtransformed parameters, with confidence intervals if available}
+#'   \item{confint_errmod}{Error model parameters with confidence intervals}
+#'   \item{ff}{The estimated formation fractions derived from the fitted
+#'      model.}
+#'   \item{distimes}{The DT50 and DT90 values for each observed variable.}
+#'   \item{SFORB}{If applicable, eigenvalues of SFORB components of the model.}
+#'   The print method is called for its side effect, i.e. printing the summary.
+#' @importFrom stats predict vcov
+#' @author Johannes Ranke for the mkin specific parts
+#'   saemix authors for the parts inherited from saemix.
+#' @examples
+#' # Generate five datasets following DFOP-SFO kinetics
+#' sampling_times = c(0, 1, 3, 7, 14, 28, 60, 90, 120)
+#' dfop_sfo <- mkinmod(parent = mkinsub("DFOP", "m1"),
+#'  m1 = mkinsub("SFO"), quiet = TRUE)
+#' set.seed(1234)
+#' k1_in <- rlnorm(5, log(0.1), 0.3)
+#' k2_in <- rlnorm(5, log(0.02), 0.3)
+#' g_in <- plogis(rnorm(5, qlogis(0.5), 0.3))
+#' f_parent_to_m1_in <- plogis(rnorm(5, qlogis(0.3), 0.3))
+#' k_m1_in <- rlnorm(5, log(0.02), 0.3)
+#'
+#' pred_dfop_sfo <- function(k1, k2, g, f_parent_to_m1, k_m1) {
+#'   mkinpredict(dfop_sfo,
+#'     c(k1 = k1, k2 = k2, g = g, f_parent_to_m1 = f_parent_to_m1, k_m1 = k_m1),
+#'     c(parent = 100, m1 = 0),
+#'     sampling_times)
+#' }
+#'
+#' ds_mean_dfop_sfo <- lapply(1:5, function(i) {
+#'   mkinpredict(dfop_sfo,
+#'     c(k1 = k1_in[i], k2 = k2_in[i], g = g_in[i],
+#'       f_parent_to_m1 = f_parent_to_m1_in[i], k_m1 = k_m1_in[i]),
+#'     c(parent = 100, m1 = 0),
+#'     sampling_times)
+#' })
+#' names(ds_mean_dfop_sfo) <- paste("ds", 1:5)
+#'
+#' ds_syn_dfop_sfo <- lapply(ds_mean_dfop_sfo, function(ds) {
+#'   add_err(ds,
+#'     sdfunc = function(value) sqrt(1^2 + value^2 * 0.07^2),
+#'     n = 1)[[1]]
+#' })
+#'
+#' \dontrun{
+#' # Evaluate using mmkin and saem
+#' f_mmkin_dfop_sfo <- mmkin(list(dfop_sfo), ds_syn_dfop_sfo,
+#'   quiet = TRUE, error_model = "tc", cores = 5)
+#' f_saem_dfop_sfo <- saem(f_mmkin_dfop_sfo)
+#' summary(f_saem_dfop_sfo, data = TRUE)
+#' }
+#'
+#' @export
+summary.saem.mmkin <- function(object, data = FALSE, verbose = FALSE, distimes = TRUE, ...) {
+
+  mod_vars <- names(object$mkinmod$diffs)
+
+  pnames <- names(object$mean_dp_start)
+  np <- length(pnames)
+
+  conf.int <- object$so@results@conf.int
+  rownames(conf.int) <- conf.int$name
+  confint_trans <- as.matrix(conf.int[pnames, c("estimate", "lower", "upper")])
+  colnames(confint_trans)[1] <- "est."
+
+  # In case objects were produced by earlier versions of saem
+  if (is.null(object$transformations)) object$transformations <- "mkin"
+
+  if (object$transformations == "mkin") {
+    bp <- backtransform_odeparms(confint_trans[, "est."], object$mkinmod,
+      object$transform_rates, object$transform_fractions)
+    bpnames <- names(bp)
+
+    # Transform boundaries of CI for one parameter at a time,
+    # with the exception of sets of formation fractions (single fractions are OK).
+    f_names_skip <- character(0)
+    for (box in mod_vars) { # Figure out sets of fractions to skip
+      f_names <- grep(paste("^f", box, sep = "_"), pnames, value = TRUE)
+      n_paths <- length(f_names)
+      if (n_paths > 1) f_names_skip <- c(f_names_skip, f_names)
+    }
+
+    confint_back <- matrix(NA, nrow = length(bp), ncol = 3,
+      dimnames = list(bpnames, colnames(confint_trans)))
+    confint_back[, "est."] <- bp
+
+    for (pname in pnames) {
+      if (!pname %in% f_names_skip) {
+        par.lower <- confint_trans[pname, "lower"]
+        par.upper <- confint_trans[pname, "upper"]
+        names(par.lower) <- names(par.upper) <- pname
+        bpl <- backtransform_odeparms(par.lower, object$mkinmod,
+                                              object$transform_rates,
+                                              object$transform_fractions)
+        bpu <- backtransform_odeparms(par.upper, object$mkinmod,
+                                              object$transform_rates,
+                                              object$transform_fractions)
+        confint_back[names(bpl), "lower"] <- bpl
+        confint_back[names(bpu), "upper"] <- bpu
+      }
+    }
+  } else {
+    confint_back <- confint_trans
+  }
+
+  #  Correlation of fixed effects (inspired by summary.nlme)
+  varFix <- vcov(object$so)[1:np, 1:np]
+  stdFix <- sqrt(diag(varFix))
+  object$corFixed <- array(
+    t(varFix/stdFix)/stdFix,
+    dim(varFix),
+    list(pnames, pnames))
+
+  # Random effects
+  rnames <- paste0("SD.", pnames)
+  confint_ranef <- as.matrix(conf.int[rnames, c("estimate", "lower", "upper")])
+  colnames(confint_ranef)[1] <- "est."
+
+  # Error model
+  enames <- if (object$err_mod == "const") "a.1" else c("a.1", "b.1")
+  confint_errmod <- as.matrix(conf.int[enames, c("estimate", "lower", "upper")])
+  colnames(confint_errmod)[1] <- "est."
+
+
+  object$confint_trans <- confint_trans
+  object$confint_ranef <- confint_ranef
+  object$confint_errmod <- confint_errmod
+  object$confint_back <- confint_back
+
+  object$date.summary = date()
+  object$use_of_ff = object$mkinmod$use_of_ff
+  object$error_model_algorithm = object$mmkin_orig[[1]]$error_model_algorithm
+  err_mod = object$mmkin_orig[[1]]$err_mod
+
+  object$diffs <- object$mkinmod$diffs
+  object$print_data <- data # boolean: Should we print the data?
+  so_pred <- object$so@results@predictions
+
+  names(object$data)[4] <- "observed" # rename value to observed
+
+  object$verbose <- verbose
+
+  object$fixed <- object$mmkin_orig[[1]]$fixed
+  object$AIC = AIC(object$so)
+  object$BIC = BIC(object$so)
+  object$logLik = logLik(object$so, method = "is")
+
+  ep <- endpoints(object)
+  if (length(ep$ff) != 0)
+    object$ff <- ep$ff
+  if (distimes) object$distimes <- ep$distimes
+  if (length(ep$SFORB) != 0) object$SFORB <- ep$SFORB
+  class(object) <- c("summary.saem.mmkin")
+  return(object)
+}
+
+#' @rdname summary.saem.mmkin
+#' @export
+print.summary.saem.mmkin <- function(x, digits = max(3, getOption("digits") - 3), verbose = x$verbose, ...) {
+  cat("saemix version used for fitting:     ", x$saemixversion, "\n")
+  cat("mkin version used for pre-fitting: ", x$mkinversion, "\n")
+  cat("R version used for fitting:        ", x$Rversion, "\n")
+
+  cat("Date of fit:    ", x$date.fit, "\n")
+  cat("Date of summary:", x$date.summary, "\n")
+
+  cat("\nEquations:\n")
+  nice_diffs <- gsub("^(d.*) =", "\\1/dt =", x[["diffs"]])
+  writeLines(strwrap(nice_diffs, exdent = 11))
+
+  cat("\nData:\n")
+  cat(nrow(x$data), "observations of",
+    length(unique(x$data$name)), "variable(s) grouped in",
+    length(unique(x$data$ds)), "datasets\n")
+
+  cat("\nModel predictions using solution type", x$solution_type, "\n")
+
+  cat("\nFitted in", x$time[["elapsed"]],  "s using", paste(x$so@options$nbiter.saemix, collapse = ", "), "iterations\n")
+
+  cat("\nVariance model: ")
+  cat(switch(x$err_mod,
+    const = "Constant variance",
+    obs = "Variance unique to each observed variable",
+    tc = "Two-component variance function"), "\n")
+
+  cat("\nMean of starting values for individual parameters:\n")
+  print(x$mean_dp_start, digits = digits)
+
+  cat("\nFixed degradation parameter values:\n")
+  if(length(x$fixed$value) == 0) cat("None\n")
+  else print(x$fixed, digits = digits)
+
+  cat("\nResults:\n\n")
+  cat("Likelihood computed by importance sampling\n")
+  print(data.frame(AIC = x$AIC, BIC = x$BIC, logLik = x$logLik,
+      row.names = " "), digits = digits)
+
+  cat("\nOptimised parameters:\n")
+  print(x$confint_trans, digits = digits)
+
+  if (nrow(x$confint_trans) > 1) {
+    corr <- x$corFixed
+    class(corr) <- "correlation"
+    print(corr, title = "\nCorrelation:", ...)
+  }
+
+  cat("\nRandom effects:\n")
+  print(x$confint_ranef, digits = digits)
+
+  cat("\nVariance model:\n")
+  print(x$confint_errmod, digits = digits)
+
+  if (x$transformations == "mkin") {
+    cat("\nBacktransformed parameters:\n")
+    print(x$confint_back, digits = digits)
+  }
+
+  printSFORB <- !is.null(x$SFORB)
+  if(printSFORB){
+    cat("\nEstimated Eigenvalues of SFORB model(s):\n")
+    print(x$SFORB, digits = digits,...)
+  }
+
+  printff <- !is.null(x$ff)
+  if(printff){
+    cat("\nResulting formation fractions:\n")
+    print(data.frame(ff = x$ff), digits = digits,...)
+  }
+
+  printdistimes <- !is.null(x$distimes)
+  if(printdistimes){
+    cat("\nEstimated disappearance times:\n")
+    print(x$distimes, digits = digits,...)
+  }
+
+  if (x$print_data){
+    cat("\nData:\n")
+    print(format(x$data, digits = digits, ...), row.names = FALSE)
+  }
+
+  invisible(x)
+}
diff --git a/_pkgdown.yml b/_pkgdown.yml
index f632ddb0..5cfaeedf 100644
--- a/_pkgdown.yml
+++ b/_pkgdown.yml
@@ -1,8 +1,8 @@
 url: https://pkgdown.jrwb.de/mkin
 
 development:
-  mode: release
-  version_label: default
+  mode: devel
+  version_label: info
 
 template:
   bootswatch: spacelab
@@ -39,10 +39,13 @@ reference:
     desc: Create and work with nonlinear mixed effects models
     contents:
       - nlme.mmkin
+      - saem.mmkin
       - plot.mixed.mmkin
       - summary.nlme.mmkin
+      - summary.saem.mmkin
       - nlme_function
       - get_deg_func
+      - saemix_model
       - mixed
   - title: Datasets and known results
     contents:
diff --git a/build.log b/build.log
index 09d94134..7a3b024e 100644
--- a/build.log
+++ b/build.log
@@ -6,5 +6,5 @@
 * creating vignettes ... OK
 * checking for LF line-endings in source and make files and shell scripts
 * checking for empty or unneeded directories
-* building ‘mkin_1.0.1.tar.gz’
+* building ‘mkin_1.0.1.9000.tar.gz’
 
diff --git a/check.log b/check.log
index d0aeb08a..58d4d6c7 100644
--- a/check.log
+++ b/check.log
@@ -5,10 +5,15 @@
 * using options ‘--no-tests --as-cran’
 * checking for file ‘mkin/DESCRIPTION’ ... OK
 * checking extension type ... Package
-* this is package ‘mkin’ version ‘1.0.1’
+* this is package ‘mkin’ version ‘1.0.1.9000’
 * package encoding: UTF-8
-* checking CRAN incoming feasibility ... Note_to_CRAN_maintainers
+* checking CRAN incoming feasibility ... NOTE
 Maintainer: ‘Johannes Ranke <jranke@uni-bremen.de>’
+
+Version contains large components (1.0.1.9000)
+
+Unknown, possibly mis-spelled, fields in DESCRIPTION:
+  ‘Remotes’
 * checking package namespace information ... OK
 * checking package dependencies ... OK
 * checking if this is a source package ... OK
@@ -67,5 +72,9 @@ Maintainer: ‘Johannes Ranke <jranke@uni-bremen.de>’
 * checking for detritus in the temp directory ... OK
 * DONE
 
-Status: OK
+Status: 1 NOTE
+See
+  ‘/home/jranke/git/mkin/mkin.Rcheck/00check.log’
+for details.
+
 
diff --git a/docs/dev/404.html b/docs/dev/404.html
index bea38406..5f29faf2 100644
--- a/docs/dev/404.html
+++ b/docs/dev/404.html
@@ -71,7 +71,7 @@
       </button>
       <span class="navbar-brand">
         <a class="navbar-link" href="https://pkgdown.jrwb.de/mkin/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">1.0.1.9000</span>
       </span>
     </div>
 
diff --git a/docs/dev/articles/index.html b/docs/dev/articles/index.html
index 6daa6960..441d49c0 100644
--- a/docs/dev/articles/index.html
+++ b/docs/dev/articles/index.html
@@ -71,7 +71,7 @@
       </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">1.0.1.9000</span>
       </span>
     </div>
 
diff --git a/docs/dev/authors.html b/docs/dev/authors.html
index d592b39f..9641eec0 100644
--- a/docs/dev/authors.html
+++ b/docs/dev/authors.html
@@ -71,7 +71,7 @@
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -147,15 +147,15 @@
       </li>
       <li>
         <p><strong>Katrin Lindenberger</strong>. Contributor. 
-        </p>
+        <br /><small>contributed to mkinresplot()</small></p>
       </li>
       <li>
         <p><strong>René Lehmann</strong>. Contributor. 
-        </p>
+        <br /><small>ilr() and invilr()</small></p>
       </li>
       <li>
         <p><strong>Eurofins Regulatory AG</strong>. Copyright holder. 
-        </p>
+        <br /><small>copyright for some of the contributions of JR 2012-2014</small></p>
       </li>
     </ul>
 
diff --git a/docs/dev/index.html b/docs/dev/index.html
index a4399963..8888633d 100644
--- a/docs/dev/index.html
+++ b/docs/dev/index.html
@@ -38,7 +38,7 @@
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -147,7 +147,7 @@
 <li>Three different error models can be selected using the argument <code>error_model</code> to the <a href="https://pkgdown.jrwb.de/mkin/reference/mkinfit.html"><code>mkinfit</code></a> function.</li>
 <li>The ‘variance by variable’ error model which is often fitted using Iteratively Reweighted Least Squares (IRLS) should now be specified as <code>error_model = "obs"</code>.</li>
 <li>A two-component error model similar to the one proposed by <a href="https://pkgdown.jrwb.de/mkin/reference/sigma_twocomp.html">Rocke and Lorenzato</a> can be selected using the argument <code>error_model = "tc"</code>.</li>
-<li>Nonlinear mixed-effects models can be created from fits of the same degradation model to different datasets for the same compound by using the <a href="https://pkgdown.jrwb.de/mkin/reference/nlme.mmkin.html">nlme.mmkin</a> method.</li>
+<li>Nonlinear mixed-effects models can be created from fits of the same degradation model to different datasets for the same compound by using the <a href="https://pkgdown.jrwb.de/mkin/reference/nlme.mmkin.html">nlme.mmkin</a> method. Note that the convergence of the nlme fits depends on the quality of the data. Convergence is better for simple models and data for many groups (e.g. soils).</li>
 </ul>
 </div>
 <div id="gui" class="section level2">
diff --git a/docs/dev/news/index.html b/docs/dev/news/index.html
index c3597efe..998917f2 100644
--- a/docs/dev/news/index.html
+++ b/docs/dev/news/index.html
@@ -71,7 +71,7 @@
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -141,13 +141,36 @@
       <small>Source: <a href='https://github.com/jranke/mkin/blob/master/NEWS.md'><code>NEWS.md</code></a></small>
     </div>
 
-    <div id="mkin-0-9-50-4-unreleased" class="section level1">
-<h1 class="page-header" data-toc-text="0.9.50.4">
-<a href="#mkin-0-9-50-4-unreleased" class="anchor"></a>mkin 0.9.50.4 (unreleased)<small> Unreleased </small>
+    <div id="mkin-1019000" class="section level1">
+<h1 class="page-header" data-toc-text="1.0.1.9000">
+<a href="#mkin-1019000" class="anchor"></a>mkin 1.0.1.9000<small> Unreleased </small>
 </h1>
-<div id="general-new-features" class="section level2">
+<ul>
+<li><p>Switch to a versioning scheme where the fourth version component indicates development versions</p></li>
+<li><p>Reintroduce the interface to the current development version of saemix, in particular:</p></li>
+<li><p>‘saemix_model’ and ‘saemix_data’: Helper functions to set up nonlinear mixed-effects models for mmkin row objects</p></li>
+<li><p>‘saem’: generic function to fit saemix models using ‘saemix_model’ and ‘saemix_data’, with a generator ‘saem.mmkin’, summary and plot methods</p></li>
+</ul>
+</div>
+    <div id="mkin-101" class="section level1">
+<h1 class="page-header" data-toc-text="1.0.1">
+<a href="#mkin-101" class="anchor"></a>mkin 1.0.1<small> Unreleased </small>
+</h1>
+<ul>
+<li><p>‘confint.mmkin’, ‘nlme.mmkin’, ‘transform_odeparms’: Fix example code in dontrun sections that failed with current defaults</p></li>
+<li><p>‘logLik.mkinfit’: Improve example code to avoid warnings and show convenient syntax</p></li>
+<li><p>‘mkinresplot’: Re-add Katrin Lindenberger as coauthor who was accidentally removed long ago</p></li>
+<li><p>Remove tests relying on non-convergence of the FOMC fit to the FOCUS A dataset as this is platform dependent (revealed by the new additional tests on CRAN, thanks!)</p></li>
+<li><p>Increase test tolerance for some parameter comparisons that also proved to be platform dependent</p></li>
+</ul>
+</div>
+    <div id="mkin-100" class="section level1">
+<h1 class="page-header" data-toc-text="1.0.0">
+<a href="#mkin-100" class="anchor"></a>mkin 1.0.0<small> 2021-02-03 </small>
+</h1>
+<div id="general" class="section level2">
 <h2 class="hasAnchor">
-<a href="#general-new-features" class="anchor"></a>General new features</h2>
+<a href="#general" class="anchor"></a>General</h2>
 <ul>
 <li><p>‘mkinmod’ models gain arguments ‘name’ and ‘dll_dir’ which, in conjunction with a current version of the ‘inline’ package, make it possible to still use the DLL used for fast ODE solutions with ‘deSolve’ after saving and restoring the ‘mkinmod’ object.</p></li>
 <li><p>‘mkindsg’ R6 class for groups of ‘mkinds’ datasets with metadata</p></li>
@@ -156,6 +179,8 @@
 <li><p>‘focus_soil_moisture’ FOCUS default soil moisture data</p></li>
 <li><p>‘update’ method for ‘mmkin’ objects</p></li>
 <li><p>‘transform_odeparms’, ‘backtransform_odeparms’: Use logit transformation for solitary fractions like the g parameter of the DFOP model, or formation fractions for a pathway to only one target variable</p></li>
+<li><p>‘plot.mmkin’: Add a ylab argument, making it possible to customize the y axis label of the panels on the left without affecting the residual plots. Reduce legend size and vertical distance between panels</p></li>
+<li><p>‘plot.mkinfit’: Change default ylab from “Observed” to “Residue”. Pass xlab to residual plot if show_residuals is TRUE.</p></li>
 </ul>
 </div>
 <div id="mixed-effects-models" class="section level2">
@@ -163,18 +188,14 @@
 <a href="#mixed-effects-models" class="anchor"></a>Mixed-effects models</h2>
 <ul>
 <li><p>‘mixed.mmkin’ New container for mmkin objects for plotting with the ‘plot.mixed.mmkin’ method</p></li>
-<li><p>‘plot.mixed.mmkin’ method used for ‘nlme.mmkin’ and ‘saem.mmkin’, both inheriting from ‘mixed.mmkin’ (currently virtual)</p></li>
+<li><p>‘plot.mixed.mmkin’ method used for ‘nlme.mmkin’ inheriting from ‘mixed.mmkin’ (currently virtual)</p></li>
 <li><p>‘plot’, ‘summary’ and ‘print’ methods for ‘nlme.mmkin’ objects</p></li>
-<li><p>Add the current development version of the saemix package as a second, optional backend for mixed-effects models</p></li>
-<li><p>DESCRIPTION: Additional_repositories entry pointing to my drat repository on github for a suitable saemix version</p></li>
-<li><p>‘saemix_model’, ‘saemix_data’: Helper functions to fit nonlinear mixed-effects models for mmkin row objects.</p></li>
-<li><p>‘saem’ generic function to fit saemix models using ‘saemix_model’ and ‘saemix_data’, with a generator ‘saem.mmkin’, summary and plot methods</p></li>
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-50-3-2020-10-08" class="section level1">
+    <div id="mkin-09503-2020-10-08" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.50.3">
-<a href="#mkin-0-9-50-3-2020-10-08" class="anchor"></a>mkin 0.9.50.3 (2020-10-08)<small> 2020-10-08 </small>
+<a href="#mkin-09503-2020-10-08" class="anchor"></a>mkin 0.9.50.3 (2020-10-08)<small> 2020-10-08 </small>
 </h1>
 <ul>
 <li><p>‘parms’: Add a method for mmkin objects</p></li>
@@ -188,18 +209,18 @@
 <li><p>‘endpoints’: Back-calculate DT50 value from DT90 also for the biphasic models DFOP, HS and SFORB</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-50-2-2020-05-12" class="section level1">
+    <div id="mkin-09502-2020-05-12" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.50.2">
-<a href="#mkin-0-9-50-2-2020-05-12" class="anchor"></a>mkin 0.9.50.2 (2020-05-12)<small> 2020-05-12 </small>
+<a href="#mkin-09502-2020-05-12" class="anchor"></a>mkin 0.9.50.2 (2020-05-12)<small> 2020-05-12 </small>
 </h1>
 <ul>
 <li><p>Increase tolerance for a platform specific test results on the Solaris test machine on CRAN</p></li>
 <li><p>Updates and corrections (using the spelling package) to the documentation</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-50-1-2020-05-11" class="section level1">
+    <div id="mkin-09501-2020-05-11" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.50.1">
-<a href="#mkin-0-9-50-1-2020-05-11" class="anchor"></a>mkin 0.9.50.1 (2020-05-11)<small> 2020-05-11 </small>
+<a href="#mkin-09501-2020-05-11" class="anchor"></a>mkin 0.9.50.1 (2020-05-11)<small> 2020-05-11 </small>
 </h1>
 <ul>
 <li><p>Support SFORB with formation fractions</p></li>
@@ -207,17 +228,17 @@
 <li><p>Improve performance by a) avoiding expensive calls in the cost function like merge() and data.frame(), and b) by implementing analytical solutions for SFO-SFO and DFOP-SFO</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-49-11-2020-04-20" class="section level1">
+    <div id="mkin-094911-2020-04-20" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.49.11">
-<a href="#mkin-0-9-49-11-2020-04-20" class="anchor"></a>mkin 0.9.49.11 (2020-04-20)<small> 2020-04-20 </small>
+<a href="#mkin-094911-2020-04-20" class="anchor"></a>mkin 0.9.49.11 (2020-04-20)<small> 2020-04-20 </small>
 </h1>
 <ul>
 <li>Increase a test tolerance to make it pass on all CRAN check machines</li>
 </ul>
 </div>
-    <div id="mkin-0-9-49-10-2020-04-18" class="section level1">
+    <div id="mkin-094910-2020-04-18" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.49.10">
-<a href="#mkin-0-9-49-10-2020-04-18" class="anchor"></a>mkin 0.9.49.10 (2020-04-18)<small> 2020-04-18 </small>
+<a href="#mkin-094910-2020-04-18" class="anchor"></a>mkin 0.9.49.10 (2020-04-18)<small> 2020-04-18 </small>
 </h1>
 <ul>
 <li><p>‘nlme.mmkin’: An nlme method for mmkin row objects and an associated S3 class with print, plot, anova and endpoint methods</p></li>
@@ -228,18 +249,18 @@
 <li><p>‘summary.mkinfit’: Add AIC, BIC and log likelihood to the summary</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-49-9-2020-03-31" class="section level1">
+    <div id="mkin-09499-2020-03-31" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.49.9">
-<a href="#mkin-0-9-49-9-2020-03-31" class="anchor"></a>mkin 0.9.49.9 (2020-03-31)<small> 2020-03-31 </small>
+<a href="#mkin-09499-2020-03-31" class="anchor"></a>mkin 0.9.49.9 (2020-03-31)<small> 2020-03-31 </small>
 </h1>
 <ul>
 <li><p>‘mkinmod’: Use pkgbuild::has_compiler instead of Sys.which(‘gcc’), as the latter will often fail even if Rtools are installed</p></li>
 <li><p>‘mkinds’: Use roxygen for documenting fields and methods of this R6 class</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-49-8-2020-01-09" class="section level1">
+    <div id="mkin-09498-2020-01-09" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.49.8">
-<a href="#mkin-0-9-49-8-2020-01-09" class="anchor"></a>mkin 0.9.49.8 (2020-01-09)<small> 2020-01-09 </small>
+<a href="#mkin-09498-2020-01-09" class="anchor"></a>mkin 0.9.49.8 (2020-01-09)<small> 2020-01-09 </small>
 </h1>
 <ul>
 <li><p>‘aw’: Generic function for calculating Akaike weights, methods for mkinfit objects and mmkin columns</p></li>
@@ -249,18 +270,18 @@
 <li><p>‘confint.mkinfit’: Make the quadratic approximation the default, as the likelihood profiling takes a lot of time, especially if the fit has more than three parameters</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-49-7-2019-11-01" class="section level1">
+    <div id="mkin-09497-2019-11-01" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.49.7">
-<a href="#mkin-0-9-49-7-2019-11-01" class="anchor"></a>mkin 0.9.49.7 (2019-11-01)<small> 2019-11-02 </small>
+<a href="#mkin-09497-2019-11-01" class="anchor"></a>mkin 0.9.49.7 (2019-11-01)<small> 2019-11-02 </small>
 </h1>
 <ul>
 <li><p>Fix a bug introduced in 0.9.49.6 that occurred if the direct optimisation yielded a higher likelihood than the three-step optimisation in the d_3 algorithm, which caused the fitted parameters of the three-step optimisation to be returned instead of the parameters of the direct optimisation</p></li>
 <li><p>Add a ‘nobs’ method for mkinfit objects, enabling the default ‘BIC’ method from the stats package. Also, add a ‘BIC’ method for mmkin column objects.</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-49-6-2019-10-31" class="section level1">
+    <div id="mkin-09496-2019-10-31" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.49.6">
-<a href="#mkin-0-9-49-6-2019-10-31" class="anchor"></a>mkin 0.9.49.6 (2019-10-31)<small> 2019-10-31 </small>
+<a href="#mkin-09496-2019-10-31" class="anchor"></a>mkin 0.9.49.6 (2019-10-31)<small> 2019-10-31 </small>
 </h1>
 <ul>
 <li><p>Implement a likelihood ratio test as a method for ‘lrtest’ from the lmtest package</p></li>
@@ -278,9 +299,9 @@
 <li><p>Support summarizing ‘mkinfit’ objects generated with versions &lt; 0.9.49.5</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-49-5-2019-07-04" class="section level1">
+    <div id="mkin-09495-2019-07-04" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.49.5">
-<a href="#mkin-0-9-49-5-2019-07-04" class="anchor"></a>mkin 0.9.49.5 (2019-07-04)<small> 2019-07-04 </small>
+<a href="#mkin-09495-2019-07-04" class="anchor"></a>mkin 0.9.49.5 (2019-07-04)<small> 2019-07-04 </small>
 </h1>
 <ul>
 <li><p>Several algorithms for minimization of the negative log-likelihood for non-constant error models (two-component and variance by variable). In the case the error model is constant variance, least squares is used as this is more stable. The default algorithm ‘d_3’ tries direct minimization and a three-step procedure, and returns the model with the highest likelihood.</p></li>
@@ -297,9 +318,9 @@
 <li><p>Add example datasets obtained from risk assessment reports published by the European Food Safety Agency.</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-48-1-2019-03-04" class="section level1">
+    <div id="mkin-09481-2019-03-04" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.48.1">
-<a href="#mkin-0-9-48-1-2019-03-04" class="anchor"></a>mkin 0.9.48.1 (2019-03-04)<small> 2019-03-04 </small>
+<a href="#mkin-09481-2019-03-04" class="anchor"></a>mkin 0.9.48.1 (2019-03-04)<small> 2019-03-04 </small>
 </h1>
 <ul>
 <li><p>Add the function ‘logLik.mkinfit’ which makes it possible to calculate an AIC for mkinfit objects</p></li>
@@ -314,9 +335,9 @@
 <li><p>‘nafta’: Add evaluations according to the NAFTA guidance</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-47-5-2018-09-14" class="section level1">
+    <div id="mkin-09475-2018-09-14" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.47.5">
-<a href="#mkin-0-9-47-5-2018-09-14" class="anchor"></a>mkin 0.9.47.5 (2018-09-14)<small> 2018-09-14 </small>
+<a href="#mkin-09475-2018-09-14" class="anchor"></a>mkin 0.9.47.5 (2018-09-14)<small> 2018-09-14 </small>
 </h1>
 <ul>
 <li><p>Make the two-component error model stop in cases where it is inadequate to avoid nls crashes on windows</p></li>
@@ -324,27 +345,27 @@
 <li><p>Exclude more example code from testing on CRAN to avoid NOTES from long execution times</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-47-3" class="section level1">
+    <div id="mkin-09473" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.47.3">
-<a href="#mkin-0-9-47-3" class="anchor"></a>mkin 0.9.47.3<small> Unreleased </small>
+<a href="#mkin-09473" class="anchor"></a>mkin 0.9.47.3<small> Unreleased </small>
 </h1>
 <ul>
 <li><p>‘mkinfit’: Improve fitting the error model for reweight.method = ‘tc’. Add ‘manual’ to possible arguments for ‘weight’</p></li>
 <li><p>Test that FOCUS_2006_C can be evaluated with DFOP and reweight.method = ‘tc’</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-47-2-2018-07-19" class="section level1">
+    <div id="mkin-09472-2018-07-19" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.47.2">
-<a href="#mkin-0-9-47-2-2018-07-19" class="anchor"></a>mkin 0.9.47.2 (2018-07-19)<small> 2018-07-19 </small>
+<a href="#mkin-09472-2018-07-19" class="anchor"></a>mkin 0.9.47.2 (2018-07-19)<small> 2018-07-19 </small>
 </h1>
 <ul>
 <li><p>‘sigma_twocomp’: Rename ‘sigma_rl’ to ‘sigma_twocomp’ as the Rocke and Lorenzato model assumes lognormal distribution for large y. Correct references to the Rocke and Lorenzato model accordingly.</p></li>
 <li><p>‘mkinfit’: Use 1.1 as starting value for N parameter of IORE models to obtain convergence in more difficult cases. Show parameter names when ‘trace_parms’ is ‘TRUE’.</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-47-1-2018-02-06" class="section level1">
+    <div id="mkin-09471-2018-02-06" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.47.1">
-<a href="#mkin-0-9-47-1-2018-02-06" class="anchor"></a>mkin 0.9.47.1 (2018-02-06)<small> 2018-02-06 </small>
+<a href="#mkin-09471-2018-02-06" class="anchor"></a>mkin 0.9.47.1 (2018-02-06)<small> 2018-02-06 </small>
 </h1>
 <ul>
 <li><p>Skip some tests on CRAN and winbuilder to avoid timeouts</p></li>
@@ -355,27 +376,27 @@
 <li><p>‘summary.mkinfit’: Show versions of mkin and R used for fitting (not the ones used for the summary) if the fit was generated with mkin &gt;= 0.9.47.1</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-46-3-2017-11-16" class="section level1">
+    <div id="mkin-09463-2017-11-16" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.46.3">
-<a href="#mkin-0-9-46-3-2017-11-16" class="anchor"></a>mkin 0.9.46.3 (2017-11-16)<small> 2017-11-16 </small>
+<a href="#mkin-09463-2017-11-16" class="anchor"></a>mkin 0.9.46.3 (2017-11-16)<small> 2017-11-16 </small>
 </h1>
 <ul>
 <li><p><code>README.md</code>, <code>vignettes/mkin.Rmd</code>: URLs were updated</p></li>
 <li><p><code>synthetic_data_for_UBA</code>: Add the code used to generate the data in the interest of reproducibility</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-46-2-2017-10-10" class="section level1">
+    <div id="mkin-09462-2017-10-10" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.46.2">
-<a href="#mkin-0-9-46-2-2017-10-10" class="anchor"></a>mkin 0.9.46.2 (2017-10-10)<small> 2017-10-10 </small>
+<a href="#mkin-09462-2017-10-10" class="anchor"></a>mkin 0.9.46.2 (2017-10-10)<small> 2017-10-10 </small>
 </h1>
 <ul>
 <li><p>Converted the vignette FOCUS_Z from tex/pdf to markdown/html</p></li>
 <li><p><code>DESCRIPTION</code>: Add ORCID</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-46-1-2017-09-14" class="section level1">
+    <div id="mkin-09461-2017-09-14" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.46.1">
-<a href="#mkin-0-9-46-1-2017-09-14" class="anchor"></a>mkin 0.9.46.1 (2017-09-14)<small> 2017-09-14 </small>
+<a href="#mkin-09461-2017-09-14" class="anchor"></a>mkin 0.9.46.1 (2017-09-14)<small> 2017-09-14 </small>
 </h1>
 <ul>
 <li><p><code>plot.mkinfit</code>: Fix scaling of residual plots for the case of separate plots for each observed variable</p></li>
@@ -383,17 +404,17 @@
 <li><p>Documentation updates</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-46-2017-07-24" class="section level1">
+    <div id="mkin-0946-2017-07-24" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.46">
-<a href="#mkin-0-9-46-2017-07-24" class="anchor"></a>mkin 0.9.46 (2017-07-24)<small> 2017-07-29 </small>
+<a href="#mkin-0946-2017-07-24" class="anchor"></a>mkin 0.9.46 (2017-07-24)<small> 2017-07-29 </small>
 </h1>
 <ul>
 <li>Remove <code>test_FOMC_ill-defined.R</code> as it is too platform dependent</li>
 </ul>
 </div>
-    <div id="mkin-0-9-45-2-2017-07-24" class="section level1">
+    <div id="mkin-09452-2017-07-24" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.45.2">
-<a href="#mkin-0-9-45-2-2017-07-24" class="anchor"></a>mkin 0.9.45.2 (2017-07-24)<small> 2017-07-22 </small>
+<a href="#mkin-09452-2017-07-24" class="anchor"></a>mkin 0.9.45.2 (2017-07-24)<small> 2017-07-22 </small>
 </h1>
 <ul>
 <li><p>Rename <code>twa</code> to <code>max_twa_parent</code> to avoid conflict with <code>twa</code> from my <code>pfm</code> package</p></li>
@@ -402,9 +423,9 @@
 <li><p>Switch from <code>microbenchmark</code> to <code>rbenchmark</code> as the former is not supported on all platforms</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-45-1-2016-12-20" class="section level1">
+    <div id="mkin-09451-2016-12-20" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.45.1">
-<a href="#mkin-0-9-45-1-2016-12-20" class="anchor"></a>mkin 0.9.45.1 (2016-12-20)<small> Unreleased </small>
+<a href="#mkin-09451-2016-12-20" class="anchor"></a>mkin 0.9.45.1 (2016-12-20)<small> Unreleased </small>
 </h1>
 <div id="new-features" class="section level2">
 <h2 class="hasAnchor">
@@ -414,9 +435,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-45-2016-12-08" class="section level1">
+    <div id="mkin-0945-2016-12-08" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.45">
-<a href="#mkin-0-9-45-2016-12-08" class="anchor"></a>mkin 0.9.45 (2016-12-08)<small> 2016-12-08 </small>
+<a href="#mkin-0945-2016-12-08" class="anchor"></a>mkin 0.9.45 (2016-12-08)<small> 2016-12-08 </small>
 </h1>
 <div id="minor-changes" class="section level2">
 <h2 class="hasAnchor">
@@ -428,9 +449,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-44-2016-06-29" class="section level1">
+    <div id="mkin-0944-2016-06-29" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.44">
-<a href="#mkin-0-9-44-2016-06-29" class="anchor"></a>mkin 0.9.44 (2016-06-29)<small> 2016-06-29 </small>
+<a href="#mkin-0944-2016-06-29" class="anchor"></a>mkin 0.9.44 (2016-06-29)<small> 2016-06-29 </small>
 </h1>
 <div id="bug-fixes" class="section level2">
 <h2 class="hasAnchor">
@@ -440,9 +461,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-43-2016-06-28" class="section level1">
+    <div id="mkin-0943-2016-06-28" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.43">
-<a href="#mkin-0-9-43-2016-06-28" class="anchor"></a>mkin 0.9.43 (2016-06-28)<small> 2016-06-28 </small>
+<a href="#mkin-0943-2016-06-28" class="anchor"></a>mkin 0.9.43 (2016-06-28)<small> 2016-06-28 </small>
 </h1>
 <div id="major-changes" class="section level2">
 <h2 class="hasAnchor">
@@ -479,9 +500,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-42-2016-03-25" class="section level1">
+    <div id="mkin-0942-2016-03-25" class="section level1">
 <h1 class="page-header" data-toc-text="0.9.42">
-<a href="#mkin-0-9-42-2016-03-25" class="anchor"></a>mkin 0.9.42 (2016-03-25)<small> 2016-03-25 </small>
+<a href="#mkin-0942-2016-03-25" class="anchor"></a>mkin 0.9.42 (2016-03-25)<small> 2016-03-25 </small>
 </h1>
 <div id="major-changes-1" class="section level2">
 <h2 class="hasAnchor">
@@ -500,9 +521,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-41-2015-11-09" class="section level1">
+    <div id="mkin-09-41-2015-11-09" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-41">
-<a href="#mkin-0-9-41-2015-11-09" class="anchor"></a>mkin 0.9-41 (2015-11-09)<small> 2015-11-09 </small>
+<a href="#mkin-09-41-2015-11-09" class="anchor"></a>mkin 0.9-41 (2015-11-09)<small> 2015-11-09 </small>
 </h1>
 <div id="minor-changes-3" class="section level2">
 <h2 class="hasAnchor">
@@ -523,9 +544,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-40-2015-07-21" class="section level1">
+    <div id="mkin-09-40-2015-07-21" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-40">
-<a href="#mkin-0-9-40-2015-07-21" class="anchor"></a>mkin 0.9-40 (2015-07-21)<small> 2015-07-21 </small>
+<a href="#mkin-09-40-2015-07-21" class="anchor"></a>mkin 0.9-40 (2015-07-21)<small> 2015-07-21 </small>
 </h1>
 <div id="bug-fixes-3" class="section level2">
 <h2 class="hasAnchor">
@@ -544,9 +565,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-39-2015-06-26" class="section level1">
+    <div id="mkin-09-39-2015-06-26" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-39">
-<a href="#mkin-0-9-39-2015-06-26" class="anchor"></a>mkin 0.9-39 (2015-06-26)<small> 2015-06-26 </small>
+<a href="#mkin-09-39-2015-06-26" class="anchor"></a>mkin 0.9-39 (2015-06-26)<small> 2015-06-26 </small>
 </h1>
 <div id="major-changes-2" class="section level2">
 <h2 class="hasAnchor">
@@ -565,9 +586,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-38-2015-06-24" class="section level1">
+    <div id="mkin-09-38-2015-06-24" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-38">
-<a href="#mkin-0-9-38-2015-06-24" class="anchor"></a>mkin 0.9-38 (2015-06-24)<small> 2015-06-23 </small>
+<a href="#mkin-09-38-2015-06-24" class="anchor"></a>mkin 0.9-38 (2015-06-24)<small> 2015-06-23 </small>
 </h1>
 <div id="minor-changes-4" class="section level2">
 <h2 class="hasAnchor">
@@ -586,9 +607,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-36-2015-06-21" class="section level1">
+    <div id="mkin-09-36-2015-06-21" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-36">
-<a href="#mkin-0-9-36-2015-06-21" class="anchor"></a>mkin 0.9-36 (2015-06-21)<small> 2015-06-21 </small>
+<a href="#mkin-09-36-2015-06-21" class="anchor"></a>mkin 0.9-36 (2015-06-21)<small> 2015-06-21 </small>
 </h1>
 <div id="major-changes-3" class="section level2">
 <h2 class="hasAnchor">
@@ -608,9 +629,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-35-2015-05-15" class="section level1">
+    <div id="mkin-09-35-2015-05-15" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-35">
-<a href="#mkin-0-9-35-2015-05-15" class="anchor"></a>mkin 0.9-35 (2015-05-15)<small> 2015-05-15 </small>
+<a href="#mkin-09-35-2015-05-15" class="anchor"></a>mkin 0.9-35 (2015-05-15)<small> 2015-05-15 </small>
 </h1>
 <div id="major-changes-4" class="section level2">
 <h2 class="hasAnchor">
@@ -640,9 +661,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-34-2014-11-22" class="section level1">
+    <div id="mkin-09-34-2014-11-22" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-34">
-<a href="#mkin-0-9-34-2014-11-22" class="anchor"></a>mkin 0.9-34 (2014-11-22)<small> 2014-11-22 </small>
+<a href="#mkin-09-34-2014-11-22" class="anchor"></a>mkin 0.9-34 (2014-11-22)<small> 2014-11-22 </small>
 </h1>
 <div id="new-features-2" class="section level2">
 <h2 class="hasAnchor">
@@ -662,9 +683,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-33-2014-10-22" class="section level1">
+    <div id="mkin-09-33-2014-10-22" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-33">
-<a href="#mkin-0-9-33-2014-10-22" class="anchor"></a>mkin 0.9-33 (2014-10-22)<small> 2014-10-12 </small>
+<a href="#mkin-09-33-2014-10-22" class="anchor"></a>mkin 0.9-33 (2014-10-22)<small> 2014-10-12 </small>
 </h1>
 <div id="new-features-3" class="section level2">
 <h2 class="hasAnchor">
@@ -695,9 +716,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-32-2014-07-24" class="section level1">
+    <div id="mkin-09-32-2014-07-24" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-32">
-<a href="#mkin-0-9-32-2014-07-24" class="anchor"></a>mkin 0.9-32 (2014-07-24)<small> 2014-07-24 </small>
+<a href="#mkin-09-32-2014-07-24" class="anchor"></a>mkin 0.9-32 (2014-07-24)<small> 2014-07-24 </small>
 </h1>
 <div id="new-features-4" class="section level2">
 <h2 class="hasAnchor">
@@ -705,7 +726,7 @@
 <ul>
 <li><p>The number of degrees of freedom is difficult to define in the case of ilr transformation of formation fractions. Now for each source compartment the number of ilr parameters (=number of optimised parameters) is divided by the number of pathways to metabolites (=number of affected data series) which leads to fractional degrees of freedom in some cases.</p></li>
 <li><p>The default for the initial value for the first state value is now taken from the mean of the observations at time zero, if available.</p></li>
-<li><p>The kinetic model can alternatively be specified with a shorthand name for parent only degradation models, e.g. <code>SFO</code>, or <code>DFOP</code>.</p></li>
+<li><p>The kinetic model can alternatively be specified with a shorthand name for parent only degradation models, e.g. <code>SFO</code>, or <code>DFOP</code>.</p></li>
 <li><p>Optimisation method, number of model evaluations and time elapsed during optimisation are given in the summary of mkinfit objects.</p></li>
 <li><p>The maximum number of iterations in the optimisation algorithm can be specified using the argument <code>maxit.modFit</code> to the mkinfit function.</p></li>
 <li><p>mkinfit gives a warning when the fit does not converge (does not apply to SANN method). This warning is included in the summary.</p></li>
@@ -732,9 +753,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-31-2014-07-14" class="section level1">
+    <div id="mkin-09-31-2014-07-14" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-31">
-<a href="#mkin-0-9-31-2014-07-14" class="anchor"></a>mkin 0.9-31 (2014-07-14)<small> 2014-07-14 </small>
+<a href="#mkin-09-31-2014-07-14" class="anchor"></a>mkin 0.9-31 (2014-07-14)<small> 2014-07-14 </small>
 </h1>
 <div id="bug-fixes-9" class="section level2">
 <h2 class="hasAnchor">
@@ -744,9 +765,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-30-2014-07-11" class="section level1">
+    <div id="mkin-09-30-2014-07-11" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-30">
-<a href="#mkin-0-9-30-2014-07-11" class="anchor"></a>mkin 0.9-30 (2014-07-11)<small> 2014-07-11 </small>
+<a href="#mkin-09-30-2014-07-11" class="anchor"></a>mkin 0.9-30 (2014-07-11)<small> 2014-07-11 </small>
 </h1>
 <div id="new-features-5" class="section level2">
 <h2 class="hasAnchor">
@@ -759,7 +780,7 @@
 <h2 class="hasAnchor">
 <a href="#major-changes-5" class="anchor"></a>Major changes</h2>
 <ul>
-<li><p>The original and the transformed parameters now have different names (e.g. <code>k_parent</code> and <code>log_k_parent</code>. They also differ in how many they are when we have formation fractions but no pathway to sink.</p></li>
+<li><p>The original and the transformed parameters now have different names (e.g. <code>k_parent</code> and <code>log_k_parent</code>. They also differ in how many they are when we have formation fractions but no pathway to sink.</p></li>
 <li><p>The order of some of the information blocks in <code>print.summary.mkinfit.R()</code> has been ordered in a more logical way.</p></li>
 </ul>
 </div>
@@ -776,9 +797,9 @@
 </ul>
 </div>
 </div>
-    <div id="mkin-0-9-29-2014-06-27" class="section level1">
+    <div id="mkin-09-29-2014-06-27" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-29">
-<a href="#mkin-0-9-29-2014-06-27" class="anchor"></a>mkin 0.9-29 (2014-06-27)<small> 2014-06-27 </small>
+<a href="#mkin-09-29-2014-06-27" class="anchor"></a>mkin 0.9-29 (2014-06-27)<small> 2014-06-27 </small>
 </h1>
 <ul>
 <li><p>R/mkinresplot.R: Make it possible to specify <code>xlim</code></p></li>
@@ -786,9 +807,9 @@
 <li><p>R/endpoints.R, man/endpoints.Rd: Calculate additional (pseudo)-DT50 values for FOMC, DFOP, HS and SFORB. Avoid calculation of formation fractions from rate constants when they are directly fitted</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-28-2014-05-20" class="section level1">
+    <div id="mkin-09-28-2014-05-20" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-28">
-<a href="#mkin-0-9-28-2014-05-20" class="anchor"></a>mkin 0.9-28 (2014-05-20)<small> 2014-05-20 </small>
+<a href="#mkin-09-28-2014-05-20" class="anchor"></a>mkin 0.9-28 (2014-05-20)<small> 2014-05-20 </small>
 </h1>
 <ul>
 <li><p>Do not backtransform confidence intervals for formation fractions if more than one compound is formed, as such parameters only define the pathways as a set</p></li>
@@ -796,9 +817,9 @@
 <li><p>Correct ‘isotropic’ into ‘isometric’ for the ilr transformation</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-27-2014-05-10" class="section level1">
+    <div id="mkin-09-27-2014-05-10" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-27">
-<a href="#mkin-0-9-27-2014-05-10" class="anchor"></a>mkin 0.9-27 (2014-05-10)<small> 2014-05-10 </small>
+<a href="#mkin-09-27-2014-05-10" class="anchor"></a>mkin 0.9-27 (2014-05-10)<small> 2014-05-10 </small>
 </h1>
 <ul>
 <li><p>Fork the GUI into a separate package <a href="https://github.com/jranke/gmkin">gmkin</a></p></li>
@@ -820,9 +841,9 @@
 <li><p>Add gmkin workspace datasets FOCUS_2006_gmkin and FOCUS_2006_Z_gmkin</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-24-2013-11-06" class="section level1">
+    <div id="mkin-09-24-2013-11-06" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-24">
-<a href="#mkin-0-9-24-2013-11-06" class="anchor"></a>mkin 0.9-24 (2013-11-06)<small> 2013-11-06 </small>
+<a href="#mkin-09-24-2013-11-06" class="anchor"></a>mkin 0.9-24 (2013-11-06)<small> 2013-11-06 </small>
 </h1>
 <ul>
 <li><p>Bugfix re-enabling the fixing of any combination of initial values for state variables</p></li>
@@ -830,9 +851,9 @@
 <li><p>Backtransform fixed ODE parameters for the summary</p></li>
 </ul>
 </div>
-    <div id="mkin-0-9-22-2013-10-26" class="section level1">
+    <div id="mkin-09-22-2013-10-26" class="section level1">
 <h1 class="page-header" data-toc-text="0.9-22">
-<a href="#mkin-0-9-22-2013-10-26" class="anchor"></a>mkin 0.9-22 (2013-10-26)<small> 2013-10-26 </small>
+<a href="#mkin-09-22-2013-10-26" class="anchor"></a>mkin 0.9-22 (2013-10-26)<small> 2013-10-26 </small>
 </h1>
 <ul>
 <li><p>Get rid of the optimisation step in <code>mkinerrmin</code> - this was unnecessary. Thanks to KinGUII for the inspiration - actually this is equation 6-2 in FOCUS kinetics p. 91 that I had overlooked originally</p></li>
diff --git a/docs/dev/pkgdown.yml b/docs/dev/pkgdown.yml
index 2963e810..f9b16e29 100644
--- a/docs/dev/pkgdown.yml
+++ b/docs/dev/pkgdown.yml
@@ -1,4 +1,4 @@
-pandoc: 2.2.1
+pandoc: 2.9.2.1
 pkgdown: 1.6.1
 pkgdown_sha: ~
 articles:
@@ -10,7 +10,7 @@ articles:
   web_only/NAFTA_examples: NAFTA_examples.html
   web_only/benchmarks: benchmarks.html
   web_only/compiled_models: compiled_models.html
-last_built: 2021-01-25T13:41Z
+last_built: 2021-02-06T17:26Z
 urls:
   reference: https://pkgdown.jrwb.de/mkin/reference
   article: https://pkgdown.jrwb.de/mkin/articles
diff --git a/docs/dev/reference/Rplot001.png b/docs/dev/reference/Rplot001.png
index bca41e2c..17a35806 100644
--- a/docs/dev/reference/Rplot001.png
+++ b/docs/dev/reference/Rplot001.png
diff --git a/docs/dev/reference/Rplot003.png b/docs/dev/reference/Rplot003.png
index ff6bc722..2b011ec1 100644
--- a/docs/dev/reference/Rplot003.png
+++ b/docs/dev/reference/Rplot003.png
diff --git a/docs/dev/reference/Rplot005.png b/docs/dev/reference/Rplot005.png
index 5e675828..8c91d61e 100644
--- a/docs/dev/reference/Rplot005.png
+++ b/docs/dev/reference/Rplot005.png
diff --git a/docs/dev/reference/Rplot006.png b/docs/dev/reference/Rplot006.png
index da52f580..730a7481 100644
--- a/docs/dev/reference/Rplot006.png
+++ b/docs/dev/reference/Rplot006.png
diff --git a/docs/dev/reference/confint.mkinfit.html b/docs/dev/reference/confint.mkinfit.html
index 515a7c9e..89bb3d89 100644
--- a/docs/dev/reference/confint.mkinfit.html
+++ b/docs/dev/reference/confint.mkinfit.html
@@ -79,7 +79,7 @@ method of Venzon and Moolgavkar (1988)." />
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -128,7 +128,7 @@ method of Venzon and Moolgavkar (1988)." />
       <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>
@@ -273,68 +273,69 @@ Profile-Likelihood Based Confidence Intervals, Applied Statistics, 37,
 <span class='kw'>if</span> <span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/identical.html'>identical</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/Sys.getenv.html'>Sys.getenv</a></span><span class='op'>(</span><span class='st'>"NOT_CRAN"</span><span class='op'>)</span>, <span class='st'>"true"</span><span class='op'>)</span><span class='op'>)</span> <span class='op'>{</span>
   <span class='va'>n_cores</span> <span class='op'>&lt;-</span> <span class='fu'>parallel</span><span class='fu'>::</span><span class='fu'><a href='https://rdrr.io/r/parallel/detectCores.html'>detectCores</a></span><span class='op'>(</span><span class='op'>)</span> <span class='op'>-</span> <span class='fl'>1</span>
 <span class='op'>}</span> <span class='kw'>else</span> <span class='op'>{</span>
- <span class='va'>n_cores</span> <span class='op'>&lt;-</span> <span class='fl'>1</span>
+  <span class='va'>n_cores</span> <span class='op'>&lt;-</span> <span class='fl'>1</span>
 <span class='op'>}</span>
 <span class='kw'>if</span> <span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/Sys.getenv.html'>Sys.getenv</a></span><span class='op'>(</span><span class='st'>"TRAVIS"</span><span class='op'>)</span> <span class='op'>!=</span> <span class='st'>""</span><span class='op'>)</span> <span class='va'>n_cores</span> <span class='op'>=</span> <span class='fl'>1</span>
 <span class='kw'>if</span> <span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/Sys.info.html'>Sys.info</a></span><span class='op'>(</span><span class='op'>)</span><span class='op'>[</span><span class='st'>"sysname"</span><span class='op'>]</span> <span class='op'>==</span> <span class='st'>"Windows"</span><span class='op'>)</span> <span class='va'>n_cores</span> <span class='op'>=</span> <span class='fl'>1</span>
 
-<span class='va'>SFO_SFO</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span>, <span class='st'>"m1"</span><span class='op'>)</span>, m1 <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span><span class='op'>)</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
+<span class='va'>SFO_SFO</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span>, <span class='st'>"m1"</span><span class='op'>)</span>, m1 <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span><span class='op'>)</span>,
+  use_of_ff <span class='op'>=</span> <span class='st'>"min"</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
 <span class='va'>SFO_SFO.ff</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span>, <span class='st'>"m1"</span><span class='op'>)</span>, m1 <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span><span class='op'>)</span>,
   use_of_ff <span class='op'>=</span> <span class='st'>"max"</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
 <span class='va'>f_d_1</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/subset.html'>subset</a></span><span class='op'>(</span><span class='va'>FOCUS_2006_D</span>, <span class='va'>value</span> <span class='op'>!=</span> <span class='fl'>0</span><span class='op'>)</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
 <span class='fu'><a href='https://rdrr.io/r/base/system.time.html'>system.time</a></span><span class='op'>(</span><span class='va'>ci_profile</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_d_1</span>, method <span class='op'>=</span> <span class='st'>"profile"</span>, cores <span class='op'>=</span> <span class='fl'>1</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span><span class='op'>)</span>
 </div><div class='output co'>#&gt;    user  system elapsed 
-#&gt;   3.900   0.929   3.548 </div><div class='input'><span class='co'># Using more cores does not save much time here, as parent_0 takes up most of the time</span>
+#&gt;   4.258   0.916   3.889 </div><div class='input'><span class='co'># Using more cores does not save much time here, as parent_0 takes up most of the time</span>
 <span class='co'># If we additionally exclude parent_0 (the confidence of which is often of</span>
-<span class='co'># minor interest), we get a nice performance improvement from about 50</span>
-<span class='co'># seconds to about 12 seconds if we use at least four cores</span>
+<span class='co'># minor interest), we get a nice performance improvement if we use at least 4 cores</span>
 <span class='fu'><a href='https://rdrr.io/r/base/system.time.html'>system.time</a></span><span class='op'>(</span><span class='va'>ci_profile_no_parent_0</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_d_1</span>, method <span class='op'>=</span> <span class='st'>"profile"</span>,
   <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='st'>"k_parent_sink"</span>, <span class='st'>"k_parent_m1"</span>, <span class='st'>"k_m1_sink"</span>, <span class='st'>"sigma"</span><span class='op'>)</span>, cores <span class='op'>=</span> <span class='va'>n_cores</span><span class='op'>)</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='message'>Profiling the likelihood</span></div><div class='output co'>#&gt; <span class='warning'>Warning: scheduled cores 3, 2, 1 encountered errors in user code, all values of the jobs will be affected</span></div><div class='output co'>#&gt; <span class='error'>Error in dimnames(x) &lt;- dn: length of 'dimnames' [2] not equal to array extent</span></div><div class='output co'>#&gt; <span class='message'>Timing stopped at: 0.009 0.034 0.257</span></div><div class='input'><span class='va'>ci_profile</span>
-</div><div class='output co'>#&gt;                        2.5%        97.5%
-#&gt; parent_0       96.456003640 1.027703e+02
-#&gt; k_parent        0.090911032 1.071578e-01
-#&gt; k_m1            0.003892606 6.702775e-03
-#&gt; f_parent_to_m1  0.471328495 5.611550e-01
-#&gt; sigma           2.535612399 3.985263e+00</div><div class='input'><span class='va'>ci_quadratic_transformed</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_d_1</span>, method <span class='op'>=</span> <span class='st'>"quadratic"</span><span class='op'>)</span>
+</div><div class='output co'>#&gt; <span class='message'>Profiling the likelihood</span></div><div class='output co'>#&gt;    user  system elapsed 
+#&gt;   1.459   0.088   0.907 </div><div class='input'><span class='va'>ci_profile</span>
+</div><div class='output co'>#&gt;                       2.5%        97.5%
+#&gt; parent_0      96.456003640 1.027703e+02
+#&gt; k_parent_sink  0.040762501 5.549764e-02
+#&gt; k_parent_m1    0.046786482 5.500879e-02
+#&gt; k_m1_sink      0.003892605 6.702778e-03
+#&gt; sigma          2.535612399 3.985263e+00</div><div class='input'><span class='va'>ci_quadratic_transformed</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_d_1</span>, method <span class='op'>=</span> <span class='st'>"quadratic"</span><span class='op'>)</span>
 <span class='va'>ci_quadratic_transformed</span>
-</div><div class='output co'>#&gt;                        2.5%        97.5%
-#&gt; parent_0       96.403833585 102.79311650
-#&gt; k_parent        0.090823771   0.10725430
-#&gt; k_m1            0.004012219   0.00689755
-#&gt; f_parent_to_m1  0.469118824   0.55959615
-#&gt; sigma           2.396089689   3.85491806</div><div class='input'><span class='va'>ci_quadratic_untransformed</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_d_1</span>, method <span class='op'>=</span> <span class='st'>"quadratic"</span>, transformed <span class='op'>=</span> <span class='cn'>FALSE</span><span class='op'>)</span>
+</div><div class='output co'>#&gt;                       2.5%        97.5%
+#&gt; parent_0      96.403841640 1.027931e+02
+#&gt; k_parent_sink  0.041033378 5.596269e-02
+#&gt; k_parent_m1    0.046777902 5.511931e-02
+#&gt; k_m1_sink      0.004012217 6.897547e-03
+#&gt; sigma          2.396089689 3.854918e+00</div><div class='input'><span class='va'>ci_quadratic_untransformed</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_d_1</span>, method <span class='op'>=</span> <span class='st'>"quadratic"</span>, transformed <span class='op'>=</span> <span class='cn'>FALSE</span><span class='op'>)</span>
 <span class='va'>ci_quadratic_untransformed</span>
-</div><div class='output co'>#&gt;                        2.5%        97.5%
-#&gt; parent_0       96.403833589 1.027931e+02
-#&gt; k_parent        0.090491913 1.069035e-01
-#&gt; k_m1            0.003835485 6.685823e-03
-#&gt; f_parent_to_m1  0.469113477 5.598387e-01
-#&gt; sigma           2.396089689 3.854918e+00</div><div class='input'><span class='co'># Against the expectation based on Bates and Watts (1988), the confidence</span>
+</div><div class='output co'>#&gt;                       2.5%        97.5%
+#&gt; parent_0      96.403841645 102.79312449
+#&gt; k_parent_sink  0.040485331   0.05535491
+#&gt; k_parent_m1    0.046611582   0.05494364
+#&gt; k_m1_sink      0.003835483   0.00668582
+#&gt; sigma          2.396089689   3.85491806</div><div class='input'><span class='co'># Against the expectation based on Bates and Watts (1988), the confidence</span>
 <span class='co'># intervals based on the internal parameter transformation are less</span>
 <span class='co'># congruent with the likelihood based intervals. Note the superiority of the</span>
 <span class='co'># interval based on the untransformed fit for k_m1_sink</span>
 <span class='va'>rel_diffs_transformed</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/base/MathFun.html'>abs</a></span><span class='op'>(</span><span class='op'>(</span><span class='va'>ci_quadratic_transformed</span> <span class='op'>-</span> <span class='va'>ci_profile</span><span class='op'>)</span><span class='op'>/</span><span class='va'>ci_profile</span><span class='op'>)</span>
 <span class='va'>rel_diffs_untransformed</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/base/MathFun.html'>abs</a></span><span class='op'>(</span><span class='op'>(</span><span class='va'>ci_quadratic_untransformed</span> <span class='op'>-</span> <span class='va'>ci_profile</span><span class='op'>)</span><span class='op'>/</span><span class='va'>ci_profile</span><span class='op'>)</span>
 <span class='va'>rel_diffs_transformed</span> <span class='op'>&lt;</span> <span class='va'>rel_diffs_untransformed</span>
-</div><div class='output co'>#&gt;                 2.5% 97.5%
-#&gt; parent_0       FALSE FALSE
-#&gt; k_parent        TRUE  TRUE
-#&gt; k_m1           FALSE FALSE
-#&gt; f_parent_to_m1  TRUE FALSE
-#&gt; sigma           TRUE FALSE</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/Round.html'>signif</a></span><span class='op'>(</span><span class='va'>rel_diffs_transformed</span>, <span class='fl'>3</span><span class='op'>)</span>
-</div><div class='output co'>#&gt;                    2.5%    97.5%
-#&gt; parent_0       0.000541 0.000222
-#&gt; k_parent       0.000960 0.000900
-#&gt; k_m1           0.030700 0.029100
-#&gt; f_parent_to_m1 0.004690 0.002780
-#&gt; sigma          0.055000 0.032700</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/Round.html'>signif</a></span><span class='op'>(</span><span class='va'>rel_diffs_untransformed</span>, <span class='fl'>3</span><span class='op'>)</span>
-</div><div class='output co'>#&gt;                    2.5%    97.5%
-#&gt; parent_0       0.000541 0.000222
-#&gt; k_parent       0.004610 0.002370
-#&gt; k_m1           0.014700 0.002530
-#&gt; f_parent_to_m1 0.004700 0.002350
-#&gt; sigma          0.055000 0.032700</div><div class='input'>
+</div><div class='output co'>#&gt;                2.5% 97.5%
+#&gt; parent_0      FALSE FALSE
+#&gt; k_parent_sink  TRUE FALSE
+#&gt; k_parent_m1    TRUE FALSE
+#&gt; k_m1_sink     FALSE FALSE
+#&gt; sigma         FALSE FALSE</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/Round.html'>signif</a></span><span class='op'>(</span><span class='va'>rel_diffs_transformed</span>, <span class='fl'>3</span><span class='op'>)</span>
+</div><div class='output co'>#&gt;                   2.5%    97.5%
+#&gt; parent_0      0.000541 0.000222
+#&gt; k_parent_sink 0.006650 0.008380
+#&gt; k_parent_m1   0.000183 0.002010
+#&gt; k_m1_sink     0.030700 0.029100
+#&gt; sigma         0.055000 0.032700</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/Round.html'>signif</a></span><span class='op'>(</span><span class='va'>rel_diffs_untransformed</span>, <span class='fl'>3</span><span class='op'>)</span>
+</div><div class='output co'>#&gt;                   2.5%    97.5%
+#&gt; parent_0      0.000541 0.000222
+#&gt; k_parent_sink 0.006800 0.002570
+#&gt; k_parent_m1   0.003740 0.001180
+#&gt; k_m1_sink     0.014700 0.002530
+#&gt; sigma         0.055000 0.032700</div><div class='input'>
 
 <span class='co'># Investigate a case with formation fractions</span>
 <span class='va'>f_d_2</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO.ff</span>, <span class='fu'><a href='https://rdrr.io/r/base/subset.html'>subset</a></span><span class='op'>(</span><span class='va'>FOCUS_2006_D</span>, <span class='va'>value</span> <span class='op'>!=</span> <span class='fl'>0</span><span class='op'>)</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
@@ -348,14 +349,14 @@ Profile-Likelihood Based Confidence Intervals, Applied Statistics, 37,
 #&gt; sigma           2.535612399 3.985263e+00</div><div class='input'><span class='va'>ci_quadratic_transformed_ff</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_d_2</span>, method <span class='op'>=</span> <span class='st'>"quadratic"</span><span class='op'>)</span>
 <span class='va'>ci_quadratic_transformed_ff</span>
 </div><div class='output co'>#&gt;                        2.5%        97.5%
-#&gt; parent_0       96.403833585 102.79311650
+#&gt; parent_0       96.403833578 102.79311649
 #&gt; k_parent        0.090823771   0.10725430
 #&gt; k_m1            0.004012219   0.00689755
 #&gt; f_parent_to_m1  0.469118824   0.55959615
 #&gt; sigma           2.396089689   3.85491806</div><div class='input'><span class='va'>ci_quadratic_untransformed_ff</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_d_2</span>, method <span class='op'>=</span> <span class='st'>"quadratic"</span>, transformed <span class='op'>=</span> <span class='cn'>FALSE</span><span class='op'>)</span>
 <span class='va'>ci_quadratic_untransformed_ff</span>
 </div><div class='output co'>#&gt;                        2.5%        97.5%
-#&gt; parent_0       96.403833589 1.027931e+02
+#&gt; parent_0       96.403833583 1.027931e+02
 #&gt; k_parent        0.090491913 1.069035e-01
 #&gt; k_m1            0.003835485 6.685823e-03
 #&gt; f_parent_to_m1  0.469113477 5.598387e-01
@@ -373,15 +374,15 @@ Profile-Likelihood Based Confidence Intervals, Applied Statistics, 37,
 #&gt; f_parent_to_m1  TRUE FALSE
 #&gt; sigma           TRUE FALSE</div><div class='input'><span class='va'>rel_diffs_transformed_ff</span>
 </div><div class='output co'>#&gt;                        2.5%        97.5%
-#&gt; parent_0       0.0005408689 0.0002217234
+#&gt; parent_0       0.0005408690 0.0002217233
 #&gt; k_parent       0.0009598532 0.0009001864
-#&gt; k_m1           0.0307283044 0.0290588365
-#&gt; f_parent_to_m1 0.0046881768 0.0027780063
+#&gt; k_m1           0.0307283041 0.0290588361
+#&gt; f_parent_to_m1 0.0046881769 0.0027780063
 #&gt; sigma          0.0550252516 0.0327066836</div><div class='input'><span class='va'>rel_diffs_untransformed_ff</span>
 </div><div class='output co'>#&gt;                        2.5%        97.5%
-#&gt; parent_0       0.0005408689 0.0002217233
-#&gt; k_parent       0.0046102155 0.0023732281
-#&gt; k_m1           0.0146740688 0.0025291817
+#&gt; parent_0       0.0005408689 0.0002217232
+#&gt; k_parent       0.0046102156 0.0023732281
+#&gt; k_m1           0.0146740690 0.0025291820
 #&gt; f_parent_to_m1 0.0046995211 0.0023457712
 #&gt; sigma          0.0550252516 0.0327066836</div><div class='input'>
 <span class='co'># The profiling for the following fit does not finish in a reasonable time,</span>
@@ -395,18 +396,18 @@ Profile-Likelihood Based Confidence Intervals, Applied Statistics, 37,
   error_model_algorithm <span class='op'>=</span> <span class='st'>"direct"</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
 <span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_tc_2</span>, method <span class='op'>=</span> <span class='st'>"quadratic"</span><span class='op'>)</span>
 </div><div class='output co'>#&gt;                        2.5%        97.5%
-#&gt; parent_0       94.596126334 106.19944007
-#&gt; k_M1            0.037605408   0.04490759
-#&gt; k_M2            0.008568739   0.01087675
-#&gt; f_parent_to_M1  0.021463787   0.62023881
-#&gt; f_parent_to_M2  0.015166531   0.37975349
-#&gt; k1              0.273897467   0.33388084
-#&gt; k2              0.018614555   0.02250379
-#&gt; g               0.671943606   0.73583278
-#&gt; sigma_low       0.251283766   0.83992113
-#&gt; rsd_high        0.040411014   0.07662005</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_tc_2</span>, <span class='st'>"parent_0"</span>, method <span class='op'>=</span> <span class='st'>"quadratic"</span><span class='op'>)</span>
+#&gt; parent_0       94.596039609 106.19954892
+#&gt; k_M1            0.037605368   0.04490762
+#&gt; k_M2            0.008568731   0.01087676
+#&gt; f_parent_to_M1  0.021462489   0.62023882
+#&gt; f_parent_to_M2  0.015165617   0.37975348
+#&gt; k1              0.273897348   0.33388101
+#&gt; k2              0.018614554   0.02250378
+#&gt; g               0.671943411   0.73583305
+#&gt; sigma_low       0.251283495   0.83992077
+#&gt; rsd_high        0.040411024   0.07662008</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/stats/confint.html'>confint</a></span><span class='op'>(</span><span class='va'>f_tc_2</span>, <span class='st'>"parent_0"</span>, method <span class='op'>=</span> <span class='st'>"quadratic"</span><span class='op'>)</span>
 </div><div class='output co'>#&gt;              2.5%    97.5%
-#&gt; parent_0 94.59613 106.1994</div><div class='input'><span class='co'># }</span>
+#&gt; parent_0 94.59604 106.1995</div><div class='input'><span class='co'># }</span>
 </div></pre>
   </div>
   <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar">
diff --git a/docs/dev/reference/endpoints.html b/docs/dev/reference/endpoints.html
index db702c2e..a13e11a7 100644
--- a/docs/dev/reference/endpoints.html
+++ b/docs/dev/reference/endpoints.html
@@ -78,7 +78,7 @@ advantage that the SFORB model can also be used for metabolites." />
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -127,7 +127,7 @@ advantage that the SFORB model can also be used for metabolites." />
       <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>
diff --git a/docs/dev/reference/index.html b/docs/dev/reference/index.html
index e038ef5c..7e98aa50 100644
--- a/docs/dev/reference/index.html
+++ b/docs/dev/reference/index.html
@@ -71,7 +71,7 @@
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -175,7 +175,7 @@
       </tr><tr>
         
         <td>
-          <p><code><a href="mmkin.html">mmkin()</a></code> </p>
+          <p><code><a href="mmkin.html">mmkin()</a></code> <code><a href="mmkin.html">print(<i>&lt;mmkin&gt;</i>)</a></code> </p>
         </td>
         <td><p>Fit one or more kinetic models with one or more state variables to one or
 more datasets</p></td>
@@ -297,12 +297,6 @@ of an mmkin object</p></td>
           <p><code><a href="AIC.mmkin.html">AIC(<i>&lt;mmkin&gt;</i>)</a></code> <code><a href="AIC.mmkin.html">BIC(<i>&lt;mmkin&gt;</i>)</a></code> </p>
         </td>
         <td><p>Calculate the AIC for a column of an mmkin object</p></td>
-      </tr><tr>
-        
-        <td>
-          <p><code><a href="print.mmkin.html">print(<i>&lt;mmkin&gt;</i>)</a></code> </p>
-        </td>
-        <td><p>Print method for mmkin objects</p></td>
       </tr>
     </tbody><tbody>
       <tr>
diff --git a/docs/dev/reference/logLik.mkinfit.html b/docs/dev/reference/logLik.mkinfit.html
index 66539dbd..82c0654f 100644
--- a/docs/dev/reference/logLik.mkinfit.html
+++ b/docs/dev/reference/logLik.mkinfit.html
@@ -76,7 +76,7 @@ the error model." />
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -125,7 +125,7 @@ the error model." />
       <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>
@@ -196,11 +196,11 @@ and the fitted error model parameters.</p>
     parent <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span>, to <span class='op'>=</span> <span class='st'>"m1"</span><span class='op'>)</span>,
     m1 <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span><span class='op'>)</span>
   <span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='message'>Temporary DLL for differentials generated and loaded</span></div><div class='input'>  <span class='va'>d_t</span> <span class='op'>&lt;-</span> <span class='va'>FOCUS_2006_D</span>
+</div><div class='output co'>#&gt; <span class='message'>Temporary DLL for differentials generated and loaded</span></div><div class='input'>  <span class='va'>d_t</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/base/subset.html'>subset</a></span><span class='op'>(</span><span class='va'>FOCUS_2006_D</span>, <span class='va'>value</span> <span class='op'>!=</span> <span class='fl'>0</span><span class='op'>)</span>
   <span class='va'>f_nw</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>sfo_sfo</span>, <span class='va'>d_t</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> <span class='co'># no weighting (weights are unity)</span>
-</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'>  <span class='va'>f_obs</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>sfo_sfo</span>, <span class='va'>d_t</span>, error_model <span class='op'>=</span> <span class='st'>"obs"</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'>  <span class='va'>f_tc</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>sfo_sfo</span>, <span class='va'>d_t</span>, error_model <span class='op'>=</span> <span class='st'>"tc"</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'>  <span class='fu'><a href='https://rdrr.io/r/stats/AIC.html'>AIC</a></span><span class='op'>(</span><span class='va'>f_nw</span>, <span class='va'>f_obs</span>, <span class='va'>f_tc</span><span class='op'>)</span>
+  <span class='va'>f_obs</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/update.html'>update</a></span><span class='op'>(</span><span class='va'>f_nw</span>, error_model <span class='op'>=</span> <span class='st'>"obs"</span><span class='op'>)</span>
+  <span class='va'>f_tc</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/update.html'>update</a></span><span class='op'>(</span><span class='va'>f_nw</span>, error_model <span class='op'>=</span> <span class='st'>"tc"</span><span class='op'>)</span>
+  <span class='fu'><a href='https://rdrr.io/r/stats/AIC.html'>AIC</a></span><span class='op'>(</span><span class='va'>f_nw</span>, <span class='va'>f_obs</span>, <span class='va'>f_tc</span><span class='op'>)</span>
 </div><div class='output co'>#&gt;       df      AIC
 #&gt; f_nw   5 204.4486
 #&gt; f_obs  6 205.8727
diff --git a/docs/dev/reference/mkinresplot.html b/docs/dev/reference/mkinresplot.html
index 4b2f6bea..2e10d5f6 100644
--- a/docs/dev/reference/mkinresplot.html
+++ b/docs/dev/reference/mkinresplot.html
@@ -75,7 +75,7 @@ argument show_residuals = TRUE." />
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -124,7 +124,7 @@ argument show_residuals = TRUE." />
       <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>
@@ -242,7 +242,7 @@ lines of the mkinfit object, and <code><a href='plot.mkinfit.html'>plot_res</a><
 combining the plot of the fit and the residual plot.</p></div>
     <h2 class="hasAnchor" id="author"><a class="anchor" href="#author"></a>Author</h2>
 
-    <p>Johannes Ranke</p>
+    <p>Johannes Ranke and Katrin Lindenberger</p>
 
     <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
     <pre class="examples"><div class='input'>
diff --git a/docs/dev/reference/mmkin-1.png b/docs/dev/reference/mmkin-1.png
index 7b7da90a..0db3379f 100644
--- a/docs/dev/reference/mmkin-1.png
+++ b/docs/dev/reference/mmkin-1.png
diff --git a/docs/dev/reference/mmkin-2.png b/docs/dev/reference/mmkin-2.png
index ce2b2af4..024a9892 100644
--- a/docs/dev/reference/mmkin-2.png
+++ b/docs/dev/reference/mmkin-2.png
diff --git a/docs/dev/reference/mmkin-3.png b/docs/dev/reference/mmkin-3.png
index bb96f1b2..a23d7cb9 100644
--- a/docs/dev/reference/mmkin-3.png
+++ b/docs/dev/reference/mmkin-3.png
diff --git a/docs/dev/reference/mmkin-4.png b/docs/dev/reference/mmkin-4.png
index 351b21aa..89975db5 100644
--- a/docs/dev/reference/mmkin-4.png
+++ b/docs/dev/reference/mmkin-4.png
diff --git a/docs/dev/reference/mmkin-5.png b/docs/dev/reference/mmkin-5.png
index c1c05eea..a2f34983 100644
--- a/docs/dev/reference/mmkin-5.png
+++ b/docs/dev/reference/mmkin-5.png
diff --git a/docs/dev/reference/mmkin.html b/docs/dev/reference/mmkin.html
index 651eb9a6..65c91adf 100644
--- a/docs/dev/reference/mmkin.html
+++ b/docs/dev/reference/mmkin.html
@@ -75,7 +75,7 @@ datasets specified in its first two arguments." />
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -124,7 +124,7 @@ datasets specified in its first two arguments." />
       <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>
@@ -158,7 +158,10 @@ datasets specified in its first two arguments.</p>
   cores <span class='op'>=</span> <span class='fu'>parallel</span><span class='fu'>::</span><span class='fu'><a href='https://rdrr.io/r/parallel/detectCores.html'>detectCores</a></span><span class='op'>(</span><span class='op'>)</span>,
   cluster <span class='op'>=</span> <span class='cn'>NULL</span>,
   <span class='va'>...</span>
-<span class='op'>)</span></pre>
+<span class='op'>)</span>
+
+<span class='co'># S3 method for mmkin</span>
+<span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>x</span>, <span class='va'>...</span><span class='op'>)</span></pre>
 
     <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>
     <table class="ref-arguments">
@@ -189,7 +192,11 @@ for parallel execution.</p></td>
     </tr>
     <tr>
       <th>...</th>
-      <td><p>Further arguments that will be passed to <code><a href='mkinfit.html'>mkinfit</a></code>.</p></td>
+      <td><p>Not used.</p></td>
+    </tr>
+    <tr>
+      <th>x</th>
+      <td><p>An mmkin object.</p></td>
     </tr>
     </table>
 
@@ -227,19 +234,19 @@ plotting.</p></div>
 
 <span class='va'>time_default</span>
 </div><div class='output co'>#&gt;    user  system elapsed 
-#&gt;   4.968   0.427   1.342 </div><div class='input'><span class='va'>time_1</span>
+#&gt;   4.438   0.334   1.640 </div><div class='input'><span class='va'>time_1</span>
 </div><div class='output co'>#&gt;    user  system elapsed 
-#&gt;   5.365   0.000   5.368 </div><div class='input'>
+#&gt;   5.535   0.004   5.539 </div><div class='input'>
 <span class='fu'><a href='endpoints.html'>endpoints</a></span><span class='op'>(</span><span class='va'>fits.0</span><span class='op'>[[</span><span class='st'>"SFO_lin"</span>, <span class='fl'>2</span><span class='op'>]</span><span class='op'>]</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; $ff
 #&gt;   parent_M1 parent_sink       M1_M2     M1_sink 
-#&gt;   0.7340478   0.2659522   0.7505687   0.2494313 
+#&gt;   0.7340481   0.2659519   0.7505683   0.2494317 
 #&gt; 
 #&gt; $distimes
 #&gt;             DT50       DT90
 #&gt; parent  0.877769   2.915885
-#&gt; M1      2.325746   7.725960
-#&gt; M2     33.720083 112.015691
+#&gt; M1      2.325744   7.725956
+#&gt; M2     33.720100 112.015749
 #&gt; </div><div class='input'>
 <span class='co'># plot.mkinfit handles rows or columns of mmkin result objects</span>
 <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='va'>fits.0</span><span class='op'>[</span><span class='fl'>1</span>, <span class='op'>]</span><span class='op'>)</span>
@@ -266,12 +273,10 @@ plotting.</p></div>
 #&gt;       dataset
 #&gt; model  A  B  C  D 
 #&gt;   SFO  OK OK OK OK
-#&gt;   FOMC C  OK OK OK
+#&gt;   FOMC OK OK OK OK
 #&gt;   DFOP OK OK OK OK
 #&gt; 
-#&gt; OK: No warnings
-#&gt; C: Optimisation did not converge:
-#&gt; false convergence (8)</div><div class='input'><span class='co'># We get false convergence for the FOMC fit to FOCUS_2006_A because this</span>
+#&gt; OK: No warnings</div><div class='input'><span class='co'># We get false convergence for the FOMC fit to FOCUS_2006_A because this</span>
 <span class='co'># dataset is really SFO, and the FOMC fit is overparameterised</span>
 <span class='fu'>stopCluster</span><span class='op'>(</span><span class='va'>cl</span><span class='op'>)</span>
 <span class='co'># }</span>
diff --git a/docs/dev/reference/nlme.mmkin-1.png b/docs/dev/reference/nlme.mmkin-1.png
index 25bebeca..9186c135 100644
--- a/docs/dev/reference/nlme.mmkin-1.png
+++ b/docs/dev/reference/nlme.mmkin-1.png
diff --git a/docs/dev/reference/nlme.mmkin-2.png b/docs/dev/reference/nlme.mmkin-2.png
index c314c149..d395fe02 100644
--- a/docs/dev/reference/nlme.mmkin-2.png
+++ b/docs/dev/reference/nlme.mmkin-2.png
diff --git a/docs/dev/reference/nlme.mmkin-3.png b/docs/dev/reference/nlme.mmkin-3.png
index a40b7cad..40518a59 100644
--- a/docs/dev/reference/nlme.mmkin-3.png
+++ b/docs/dev/reference/nlme.mmkin-3.png
diff --git a/docs/dev/reference/nlme.mmkin.html b/docs/dev/reference/nlme.mmkin.html
index a4d7070a..2649c111 100644
--- a/docs/dev/reference/nlme.mmkin.html
+++ b/docs/dev/reference/nlme.mmkin.html
@@ -74,7 +74,7 @@ have been obtained by fitting the same model to a list of datasets." />
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -123,7 +123,7 @@ have been obtained by fitting the same model to a list of datasets." />
       <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>
@@ -262,6 +262,12 @@ parameters taken from the mmkin object are used</p></td>
 
     <p>Upon success, a fitted 'nlme.mmkin' object, which is an nlme object
 with additional elements. It also inherits from 'mixed.mmkin'.</p>
+    <h2 class="hasAnchor" id="details"><a class="anchor" href="#details"></a>Details</h2>
+
+    <p>Note that the convergence of the nlme algorithms depends on the quality
+of the data. In degradation kinetics, we often only have few datasets
+(e.g. data for few soils) and complicated degradation models, which may
+make it impossible to obtain convergence with nlme.</p>
     <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2>
 
     <p>As the object inherits from <a href='https://rdrr.io/pkg/nlme/man/nlme.html'>nlme::nlme</a>, there is a wealth of
@@ -284,7 +290,7 @@ methods that will automatically work on 'nlme.mmkin' objects, such as
   <span class='fu'><a href='https://rdrr.io/r/stats/anova.html'>anova</a></span><span class='op'>(</span><span class='va'>f_nlme_sfo</span>, <span class='va'>f_nlme_dfop</span><span class='op'>)</span>
 </div><div class='output co'>#&gt;             Model df      AIC      BIC    logLik   Test  L.Ratio p-value
 #&gt; f_nlme_sfo      1  5 625.0539 637.5529 -307.5269                        
-#&gt; f_nlme_dfop     2  9 495.1270 517.6253 -238.5635 1 vs 2 137.9268  &lt;.0001</div><div class='input'>  <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>f_nlme_dfop</span><span class='op'>)</span>
+#&gt; f_nlme_dfop     2  9 495.1270 517.6253 -238.5635 1 vs 2 137.9269  &lt;.0001</div><div class='input'>  <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>f_nlme_dfop</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Kinetic nonlinear mixed-effects model fit by maximum likelihood
 #&gt; 
 #&gt; Structural model:
@@ -312,7 +318,7 @@ methods that will automatically work on 'nlme.mmkin' objects, such as
 </div><div class='img'><img src='nlme.mmkin-1.png' alt='' width='700' height='433' /></div><div class='input'>  <span class='fu'><a href='endpoints.html'>endpoints</a></span><span class='op'>(</span><span class='va'>f_nlme_dfop</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; $distimes
 #&gt;            DT50     DT90 DT50back  DT50_k1  DT50_k2
-#&gt; parent 10.79857 100.7937 30.34192 4.193937 43.85442
+#&gt; parent 10.79857 100.7937 30.34193 4.193938 43.85443
 #&gt; </div><div class='input'>
   <span class='va'>ds_2</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>lapply</a></span><span class='op'>(</span><span class='va'>experimental_data_for_UBA_2019</span><span class='op'>[</span><span class='fl'>6</span><span class='op'>:</span><span class='fl'>10</span><span class='op'>]</span>,
    <span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='va'>x</span><span class='op'>$</span><span class='va'>data</span><span class='op'>[</span><span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='st'>"name"</span>, <span class='st'>"time"</span>, <span class='st'>"value"</span><span class='op'>)</span><span class='op'>]</span><span class='op'>)</span>
@@ -335,16 +341,17 @@ methods that will automatically work on 'nlme.mmkin' objects, such as
   <span class='co'># f_nlme_sfo_sfo_ff &lt;- nlme(f_2["SFO-SFO-ff", ])</span>
   <span class='co'>#plot(f_nlme_sfo_sfo_ff)</span>
 
-  <span class='co'># With the log-Cholesky parameterization, this converges in 11</span>
-  <span class='co'># iterations and around 100 seconds, but without tweaking control</span>
-  <span class='co'># parameters (with pdDiag, increasing the tolerance and pnlsMaxIter was</span>
-  <span class='co'># necessary)</span>
-  <span class='va'>f_nlme_dfop_sfo</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_2</span><span class='op'>[</span><span class='st'>"DFOP-SFO"</span>, <span class='op'>]</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='error'>Error in nlme.formula(model = value ~ (mkin::get_deg_func())(name, time,     parent_0, log_k_A1, f_parent_qlogis, log_k1, log_k2, g_qlogis),     data = structure(list(ds = structure(c(1L, 1L, 1L, 1L, 1L,     1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L,     1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L,     1L, 1L, 1L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L,     2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L,     2L, 2L, 2L, 2L, 2L, 2L, 2L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L,     3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L,     3L, 3L, 3L, 3L, 3L, 3L, 3L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L,     4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L,     4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L,     5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L,     5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L    ), .Label = c("1", "2", "3", "4", "5"), class = c("ordered",     "factor")), name = c("parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "A1", "A1", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1"), time = c(0, 0, 3, 3, 6, 6, 10, 10, 20, 20, 34, 34,     55, 55, 90, 90, 112, 112, 132, 132, 3, 3, 6, 6, 10, 10, 20,     20, 34, 34, 55, 55, 90, 90, 112, 112, 132, 132, 0, 0, 3,     3, 7, 7, 14, 14, 30, 30, 60, 60, 90, 90, 120, 120, 180, 180,     3, 3, 7, 7, 14, 14, 30, 30, 60, 60, 90, 90, 120, 120, 180,     180, 0, 0, 1, 1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70,     70, 1, 1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70, 70, 0,     0, 1, 1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70, 70, 91,     91, 120, 120, 1, 1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70,     70, 91, 91, 120, 120, 0, 0, 8, 8, 14, 14, 21, 21, 41, 41,     63, 63, 91, 91, 120, 120, 8, 8, 14, 14, 21, 21, 41, 41, 63,     63, 91, 91, 120, 120), value = c(97.2, 96.4, 71.1, 69.2,     58.1, 56.6, 44.4, 43.4, 33.3, 29.2, 17.6, 18, 10.5, 9.3,     4.5, 4.7, 3, 3.4, 2.3, 2.7, 4.3, 4.6, 7, 7.2, 8.2, 8, 11,     13.7, 11.5, 12.7, 14.9, 14.5, 12.1, 12.3, 9.9, 10.2, 8.8,     7.8, 93.6, 92.3, 87, 82.2, 74, 73.9, 64.2, 69.5, 54, 54.6,     41.1, 38.4, 32.5, 35.5, 28.1, 29, 26.5, 27.6, 3.9, 3.1, 6.9,     6.6, 10.4, 8.3, 14.4, 13.7, 22.1, 22.3, 27.5, 25.4, 28, 26.6,     25.8, 25.3, 91.9, 90.8, 64.9, 66.2, 43.5, 44.1, 18.3, 18.1,     10.2, 10.8, 4.9, 3.3, 1.6, 1.5, 1.1, 0.9, 9.6, 7.7, 15, 15.1,     21.2, 21.1, 19.7, 18.9, 17.5, 15.9, 9.5, 9.8, 6.2, 6.1, 99.8,     98.3, 77.1, 77.2, 59, 58.1, 27.4, 29.2, 19.1, 29.6, 10.1,     18.2, 4.5, 9.1, 2.3, 2.9, 2, 1.8, 2, 2.2, 4.2, 3.9, 7.4,     7.9, 14.5, 13.7, 14.2, 12.2, 13.7, 13.2, 13.6, 15.4, 10.4,     11.6, 10, 9.5, 9.1, 9, 96.1, 94.3, 73.9, 73.9, 69.4, 73.1,     65.6, 65.3, 55.9, 54.4, 47, 49.3, 44.7, 46.7, 42.1, 41.3,     3.3, 3.4, 3.9, 2.9, 6.4, 7.2, 9.1, 8.5, 11.7, 12, 13.3, 13.2,     14.3, 12.1)), row.names = c(NA, -170L), class = c("nfnGroupedData",     "nfGroupedData", "groupedData", "data.frame"), formula = value ~         time | ds, FUN = function (x)     max(x, na.rm = TRUE), order.groups = FALSE), start = list(        fixed = c(parent_0 = 93.8101519326534, log_k_A1 = -9.76474551635931,         f_parent_qlogis = -0.971114801595408, log_k1 = -1.87993711571859,         log_k2 = -4.27081421366622, g_qlogis = 0.135644115277507        ), random = list(ds = structure(c(2.56569977430371, -3.49441920289139,         -3.32614443321494, 4.35347873814922, -0.0986148763466161,         4.65850590018027, 1.8618544764481, 6.12693257601545,         4.91792724701579, -17.5652201996596, -0.466203822618637,         0.746660653597927, 0.282193987271096, -0.42053488943072,         -0.142115928819667, 0.369240076779088, -1.38985563501659,         1.02592753494098, 0.73090914081534, -0.736221117518819,         0.768170629350299, -1.89347658079869, 1.72168783460352,         0.844607177798114, -1.44098906095325, -0.377731855445672,         0.168180098477565, 0.469683412912104, 0.500717664434525,         -0.760849320378522), .Dim = 5:6, .Dimnames = list(c("1",         "2", "3", "4", "5"), c("parent_0", "log_k_A1", "f_parent_qlogis",         "log_k1", "log_k2", "g_qlogis"))))), fixed = list(parent_0 ~         1, log_k_A1 ~ 1, f_parent_qlogis ~ 1, log_k1 ~ 1, log_k2 ~         1, g_qlogis ~ 1), random = structure(numeric(0), class = c("pdDiag",     "pdMat"), formula = structure(list(parent_0 ~ 1, log_k_A1 ~         1, f_parent_qlogis ~ 1, log_k1 ~ 1, log_k2 ~ 1, g_qlogis ~         1), class = "listForm"), Dimnames = list(NULL, NULL))): maximum number of iterations (maxIter = 50) reached without convergence</span></div><div class='output co'>#&gt; <span class='message'>Timing stopped at: 49.95 16.5 44.08</span></div><div class='input'>
+  <span class='co'># For the following, we need to increase pnlsMaxIter and the tolerance</span>
+  <span class='co'># to get convergence</span>
+  <span class='va'>f_nlme_dfop_sfo</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_2</span><span class='op'>[</span><span class='st'>"DFOP-SFO"</span>, <span class='op'>]</span>,
+    control <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>pnlsMaxIter <span class='op'>=</span> <span class='fl'>120</span>, tolerance <span class='op'>=</span> <span class='fl'>5e-4</span><span class='op'>)</span><span class='op'>)</span>
+
   <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='va'>f_nlme_dfop_sfo</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='error'>Error in plot(f_nlme_dfop_sfo): object 'f_nlme_dfop_sfo' not found</span></div><div class='input'>
+</div><div class='img'><img src='nlme.mmkin-3.png' alt='' width='700' height='433' /></div><div class='input'>
   <span class='fu'><a href='https://rdrr.io/r/stats/anova.html'>anova</a></span><span class='op'>(</span><span class='va'>f_nlme_dfop_sfo</span>, <span class='va'>f_nlme_sfo_sfo</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='error'>Error in anova(f_nlme_dfop_sfo, f_nlme_sfo_sfo): object 'f_nlme_dfop_sfo' not found</span></div><div class='input'>
+</div><div class='output co'>#&gt;                 Model df       AIC       BIC    logLik   Test  L.Ratio p-value
+#&gt; f_nlme_dfop_sfo     1 13  843.8548  884.6201 -408.9274                        
+#&gt; f_nlme_sfo_sfo      2  9 1085.1821 1113.4043 -533.5910 1 vs 2 249.3273  &lt;.0001</div><div class='input'>
   <span class='fu'><a href='endpoints.html'>endpoints</a></span><span class='op'>(</span><span class='va'>f_nlme_sfo_sfo</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; $ff
 #&gt; parent_sink   parent_A1     A1_sink 
@@ -355,7 +362,15 @@ methods that will automatically work on 'nlme.mmkin' objects, such as
 #&gt; parent 19.13518  63.5657
 #&gt; A1     66.02155 219.3189
 #&gt; </div><div class='input'>  <span class='fu'><a href='endpoints.html'>endpoints</a></span><span class='op'>(</span><span class='va'>f_nlme_dfop_sfo</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='error'>Error in endpoints(f_nlme_dfop_sfo): object 'f_nlme_dfop_sfo' not found</span></div><div class='input'>
+</div><div class='output co'>#&gt; $ff
+#&gt;   parent_A1 parent_sink 
+#&gt;   0.2768575   0.7231425 
+#&gt; 
+#&gt; $distimes
+#&gt;             DT50     DT90 DT50back  DT50_k1  DT50_k2
+#&gt; parent  11.07091 104.6320 31.49737 4.462384 46.20825
+#&gt; A1     162.30492 539.1653       NA       NA       NA
+#&gt; </div><div class='input'>
   <span class='kw'>if</span> <span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/length.html'>length</a></span><span class='op'>(</span><span class='fu'>findFunction</span><span class='op'>(</span><span class='st'>"varConstProp"</span><span class='op'>)</span><span class='op'>)</span> <span class='op'>&gt;</span> <span class='fl'>0</span><span class='op'>)</span> <span class='op'>{</span> <span class='co'># tc error model for nlme available</span>
     <span class='co'># Attempts to fit metabolite kinetics with the tc error model are possible,</span>
     <span class='co'># but need tweeking of control values and sometimes do not converge</span>
@@ -381,7 +396,7 @@ methods that will automatically work on 'nlme.mmkin' objects, such as
 #&gt; Fixed effects:
 #&gt;  list(parent_0 ~ 1, log_k1 ~ 1, log_k2 ~ 1, g_qlogis ~ 1) 
 #&gt; parent_0   log_k1   log_k2 g_qlogis 
-#&gt; 94.04775 -1.82340 -4.16715  0.05685 
+#&gt; 94.04774 -1.82340 -4.16716  0.05686 
 #&gt; 
 #&gt; Random effects:
 #&gt;  Formula: list(parent_0 ~ 1, log_k1 ~ 1, log_k2 ~ 1, g_qlogis ~ 1)
@@ -395,10 +410,8 @@ methods that will automatically work on 'nlme.mmkin' objects, such as
 #&gt;  Formula: ~fitted(.) 
 #&gt;  Parameter estimates:
 #&gt;      const       prop 
-#&gt; 2.23224114 0.01262341 </div><div class='input'>
-  <span class='va'>f_2_obs</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mmkin.html'>mmkin</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span><span class='st'>"SFO-SFO"</span> <span class='op'>=</span> <span class='va'>m_sfo_sfo</span>,
-   <span class='st'>"DFOP-SFO"</span> <span class='op'>=</span> <span class='va'>m_dfop_sfo</span><span class='op'>)</span>,
-    <span class='va'>ds_2</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span>, error_model <span class='op'>=</span> <span class='st'>"obs"</span><span class='op'>)</span>
+#&gt; 2.23223147 0.01262395 </div><div class='input'>
+  <span class='va'>f_2_obs</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/update.html'>update</a></span><span class='op'>(</span><span class='va'>f_2</span>, error_model <span class='op'>=</span> <span class='st'>"obs"</span><span class='op'>)</span>
   <span class='va'>f_nlme_sfo_sfo_obs</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_2_obs</span><span class='op'>[</span><span class='st'>"SFO-SFO"</span>, <span class='op'>]</span><span class='op'>)</span>
   <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>f_nlme_sfo_sfo_obs</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Kinetic nonlinear mixed-effects model fit by maximum likelihood
@@ -429,18 +442,21 @@ methods that will automatically work on 'nlme.mmkin' objects, such as
 #&gt;  Formula: ~1 | name 
 #&gt;  Parameter estimates:
 #&gt;    parent        A1 
-#&gt; 1.0000000 0.2050003 </div><div class='input'>  <span class='va'>f_nlme_dfop_sfo_obs</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_2_obs</span><span class='op'>[</span><span class='st'>"DFOP-SFO"</span>, <span class='op'>]</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='error'>Error in nlme.formula(model = value ~ (mkin::get_deg_func())(name, time,     parent_0, log_k_A1, f_parent_qlogis, log_k1, log_k2, g_qlogis),     data = structure(list(ds = structure(c(1L, 1L, 1L, 1L, 1L,     1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L,     1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L,     1L, 1L, 1L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L,     2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L,     2L, 2L, 2L, 2L, 2L, 2L, 2L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L,     3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L,     3L, 3L, 3L, 3L, 3L, 3L, 3L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L,     4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L,     4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L,     5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L,     5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L    ), .Label = c("1", "2", "3", "4", "5"), class = c("ordered",     "factor")), name = c("parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "A1", "A1", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1", "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "parent", "parent",     "parent", "parent", "parent", "parent", "A1", "A1", "A1",     "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1", "A1",     "A1"), time = c(0, 0, 3, 3, 6, 6, 10, 10, 20, 20, 34, 34,     55, 55, 90, 90, 112, 112, 132, 132, 3, 3, 6, 6, 10, 10, 20,     20, 34, 34, 55, 55, 90, 90, 112, 112, 132, 132, 0, 0, 3,     3, 7, 7, 14, 14, 30, 30, 60, 60, 90, 90, 120, 120, 180, 180,     3, 3, 7, 7, 14, 14, 30, 30, 60, 60, 90, 90, 120, 120, 180,     180, 0, 0, 1, 1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70,     70, 1, 1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70, 70, 0,     0, 1, 1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70, 70, 91,     91, 120, 120, 1, 1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70,     70, 91, 91, 120, 120, 0, 0, 8, 8, 14, 14, 21, 21, 41, 41,     63, 63, 91, 91, 120, 120, 8, 8, 14, 14, 21, 21, 41, 41, 63,     63, 91, 91, 120, 120), value = c(97.2, 96.4, 71.1, 69.2,     58.1, 56.6, 44.4, 43.4, 33.3, 29.2, 17.6, 18, 10.5, 9.3,     4.5, 4.7, 3, 3.4, 2.3, 2.7, 4.3, 4.6, 7, 7.2, 8.2, 8, 11,     13.7, 11.5, 12.7, 14.9, 14.5, 12.1, 12.3, 9.9, 10.2, 8.8,     7.8, 93.6, 92.3, 87, 82.2, 74, 73.9, 64.2, 69.5, 54, 54.6,     41.1, 38.4, 32.5, 35.5, 28.1, 29, 26.5, 27.6, 3.9, 3.1, 6.9,     6.6, 10.4, 8.3, 14.4, 13.7, 22.1, 22.3, 27.5, 25.4, 28, 26.6,     25.8, 25.3, 91.9, 90.8, 64.9, 66.2, 43.5, 44.1, 18.3, 18.1,     10.2, 10.8, 4.9, 3.3, 1.6, 1.5, 1.1, 0.9, 9.6, 7.7, 15, 15.1,     21.2, 21.1, 19.7, 18.9, 17.5, 15.9, 9.5, 9.8, 6.2, 6.1, 99.8,     98.3, 77.1, 77.2, 59, 58.1, 27.4, 29.2, 19.1, 29.6, 10.1,     18.2, 4.5, 9.1, 2.3, 2.9, 2, 1.8, 2, 2.2, 4.2, 3.9, 7.4,     7.9, 14.5, 13.7, 14.2, 12.2, 13.7, 13.2, 13.6, 15.4, 10.4,     11.6, 10, 9.5, 9.1, 9, 96.1, 94.3, 73.9, 73.9, 69.4, 73.1,     65.6, 65.3, 55.9, 54.4, 47, 49.3, 44.7, 46.7, 42.1, 41.3,     3.3, 3.4, 3.9, 2.9, 6.4, 7.2, 9.1, 8.5, 11.7, 12, 13.3, 13.2,     14.3, 12.1)), row.names = c(NA, -170L), class = c("nfnGroupedData",     "nfGroupedData", "groupedData", "data.frame"), formula = value ~         time | ds, FUN = function (x)     max(x, na.rm = TRUE), order.groups = FALSE), start = list(        fixed = c(parent_0 = 93.4272167134207, log_k_A1 = -9.71590717106959,         f_parent_qlogis = -0.953712099744438, log_k1 = -1.95256957646888,         log_k2 = -4.42919226610318, g_qlogis = 0.193023137298073        ), random = list(ds = structure(c(2.85557330683041, -3.87630303729395,         -2.78062140212751, 4.82042042600536, -1.01906929341432,         4.613992019697, 2.05871276943309, 6.0766404049189, 4.86471337131288,         -17.6140585653619, -0.480721175257541, 0.773079218835614,         0.260464433006093, -0.440615012802434, -0.112207463781733,         0.445812953745225, -1.49588630006094, 1.13602040717272,         0.801850880762046, -0.887797941619048, 0.936480292463262,         -2.43093808171905, 1.91256225793793, 0.984827519864443,         -1.40293198854659, -0.455176326336681, 0.376355651864385,         0.343919720700401, 0.46329187713133, -0.728390923359434        ), .Dim = 5:6, .Dimnames = list(c("1", "2", "3", "4",         "5"), c("parent_0", "log_k_A1", "f_parent_qlogis", "log_k1",         "log_k2", "g_qlogis"))))), fixed = list(parent_0 ~ 1,         log_k_A1 ~ 1, f_parent_qlogis ~ 1, log_k1 ~ 1, log_k2 ~             1, g_qlogis ~ 1), random = structure(numeric(0), class = c("pdDiag",     "pdMat"), formula = structure(list(parent_0 ~ 1, log_k_A1 ~         1, f_parent_qlogis ~ 1, log_k1 ~ 1, log_k2 ~ 1, g_qlogis ~         1), class = "listForm"), Dimnames = list(NULL, NULL)),     weights = structure(numeric(0), formula = ~1 | name, class = c("varIdent",     "varFunc"))): maximum number of iterations (maxIter = 50) reached without convergence</span></div><div class='output co'>#&gt; <span class='message'>Timing stopped at: 59.38 16.5 53.5</span></div><div class='input'>
-  <span class='va'>f_2_tc</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mmkin.html'>mmkin</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span><span class='st'>"SFO-SFO"</span> <span class='op'>=</span> <span class='va'>m_sfo_sfo</span>,
-   <span class='st'>"DFOP-SFO"</span> <span class='op'>=</span> <span class='va'>m_dfop_sfo</span><span class='op'>)</span>,
-    <span class='va'>ds_2</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span>, error_model <span class='op'>=</span> <span class='st'>"tc"</span><span class='op'>)</span>
-  <span class='co'># f_nlme_sfo_sfo_tc &lt;- nlme(f_2_tc["SFO-SFO", ]) # stops with error message</span>
-  <span class='va'>f_nlme_dfop_sfo_tc</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_2_tc</span><span class='op'>[</span><span class='st'>"DFOP-SFO"</span>, <span class='op'>]</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='warning'>Warning: longer object length is not a multiple of shorter object length</span></div><div class='output co'>#&gt; <span class='error'>Error in X[, fmap[[nm]]] &lt;- gradnm: number of items to replace is not a multiple of replacement length</span></div><div class='output co'>#&gt; <span class='message'>Timing stopped at: 6.363 2.688 5.469</span></div><div class='input'>  <span class='co'># We get warnings about false convergence in the LME step in several iterations</span>
-  <span class='co'># but as the last such warning occurs in iteration 25 and we have 28 iterations</span>
-  <span class='co'># we can ignore these</span>
-  <span class='fu'><a href='https://rdrr.io/r/stats/anova.html'>anova</a></span><span class='op'>(</span><span class='va'>f_nlme_dfop_sfo</span>, <span class='va'>f_nlme_dfop_sfo_obs</span>, <span class='va'>f_nlme_dfop_sfo_tc</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='error'>Error in anova(f_nlme_dfop_sfo, f_nlme_dfop_sfo_obs, f_nlme_dfop_sfo_tc): object 'f_nlme_dfop_sfo' not found</span></div><div class='input'>
+#&gt; 1.0000000 0.2049995 </div><div class='input'>  <span class='va'>f_nlme_dfop_sfo_obs</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_2_obs</span><span class='op'>[</span><span class='st'>"DFOP-SFO"</span>, <span class='op'>]</span>,
+    control <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>pnlsMaxIter <span class='op'>=</span> <span class='fl'>120</span>, tolerance <span class='op'>=</span> <span class='fl'>5e-4</span><span class='op'>)</span><span class='op'>)</span>
+
+  <span class='va'>f_2_tc</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/update.html'>update</a></span><span class='op'>(</span><span class='va'>f_2</span>, error_model <span class='op'>=</span> <span class='st'>"tc"</span><span class='op'>)</span>
+  <span class='co'># f_nlme_sfo_sfo_tc &lt;- nlme(f_2_tc["SFO-SFO", ]) # No convergence with 50 iterations</span>
+  <span class='co'># f_nlme_dfop_sfo_tc &lt;- nlme(f_2_tc["DFOP-SFO", ],</span>
+  <span class='co'>#  control = list(pnlsMaxIter = 120, tolerance = 5e-4)) # Error in X[, fmap[[nm]]] &lt;- gradnm</span>
+
+  <span class='fu'><a href='https://rdrr.io/r/stats/anova.html'>anova</a></span><span class='op'>(</span><span class='va'>f_nlme_dfop_sfo</span>, <span class='va'>f_nlme_dfop_sfo_obs</span><span class='op'>)</span>
+</div><div class='output co'>#&gt;                     Model df      AIC      BIC    logLik   Test  L.Ratio
+#&gt; f_nlme_dfop_sfo         1 13 843.8548 884.6201 -408.9274                
+#&gt; f_nlme_dfop_sfo_obs     2 14 817.5338 861.4350 -394.7669 1 vs 2 28.32093
+#&gt;                     p-value
+#&gt; f_nlme_dfop_sfo            
+#&gt; f_nlme_dfop_sfo_obs  &lt;.0001</div><div class='input'>
 <span class='co'># }</span>
 </div></pre>
   </div>
diff --git a/docs/dev/reference/plot.mixed.mmkin-1.png b/docs/dev/reference/plot.mixed.mmkin-1.png
index 5cb33214..9c9a2211 100644
--- a/docs/dev/reference/plot.mixed.mmkin-1.png
+++ b/docs/dev/reference/plot.mixed.mmkin-1.png
diff --git a/docs/dev/reference/plot.mixed.mmkin-2.png b/docs/dev/reference/plot.mixed.mmkin-2.png
index c0d67204..0f66ff0f 100644
--- a/docs/dev/reference/plot.mixed.mmkin-2.png
+++ b/docs/dev/reference/plot.mixed.mmkin-2.png
diff --git a/docs/dev/reference/plot.mixed.mmkin-3.png b/docs/dev/reference/plot.mixed.mmkin-3.png
index 5e00afe6..34212f1c 100644
--- a/docs/dev/reference/plot.mixed.mmkin-3.png
+++ b/docs/dev/reference/plot.mixed.mmkin-3.png
diff --git a/docs/dev/reference/plot.mixed.mmkin-4.png b/docs/dev/reference/plot.mixed.mmkin-4.png
index 6a5f3b9c..c1450d24 100644
--- a/docs/dev/reference/plot.mixed.mmkin-4.png
+++ b/docs/dev/reference/plot.mixed.mmkin-4.png
diff --git a/docs/dev/reference/plot.mixed.mmkin.html b/docs/dev/reference/plot.mixed.mmkin.html
index 55c411e7..601e1554 100644
--- a/docs/dev/reference/plot.mixed.mmkin.html
+++ b/docs/dev/reference/plot.mixed.mmkin.html
@@ -72,7 +72,7 @@
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -161,7 +161,7 @@
   maxabs <span class='op'>=</span> <span class='st'>"auto"</span>,
   ncol.legend <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/ifelse.html'>ifelse</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/length.html'>length</a></span><span class='op'>(</span><span class='va'>i</span><span class='op'>)</span> <span class='op'>&lt;=</span> <span class='fl'>3</span>, <span class='fu'><a href='https://rdrr.io/r/base/length.html'>length</a></span><span class='op'>(</span><span class='va'>i</span><span class='op'>)</span> <span class='op'>+</span> <span class='fl'>1</span>, <span class='fu'><a href='https://rdrr.io/r/base/ifelse.html'>ifelse</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/length.html'>length</a></span><span class='op'>(</span><span class='va'>i</span><span class='op'>)</span> <span class='op'>&lt;=</span> <span class='fl'>8</span>, <span class='fl'>3</span>, <span class='fl'>4</span><span class='op'>)</span><span class='op'>)</span>,
   nrow.legend <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/Round.html'>ceiling</a></span><span class='op'>(</span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/length.html'>length</a></span><span class='op'>(</span><span class='va'>i</span><span class='op'>)</span> <span class='op'>+</span> <span class='fl'>1</span><span class='op'>)</span><span class='op'>/</span><span class='va'>ncol.legend</span><span class='op'>)</span>,
-  rel.height.legend <span class='op'>=</span> <span class='fl'>0.03</span> <span class='op'>+</span> <span class='fl'>0.08</span> <span class='op'>*</span> <span class='va'>nrow.legend</span>,
+  rel.height.legend <span class='op'>=</span> <span class='fl'>0.02</span> <span class='op'>+</span> <span class='fl'>0.07</span> <span class='op'>*</span> <span class='va'>nrow.legend</span>,
   rel.height.bottom <span class='op'>=</span> <span class='fl'>1.1</span>,
   pch_ds <span class='op'>=</span> <span class='fl'>1</span><span class='op'>:</span><span class='fu'><a href='https://rdrr.io/r/base/length.html'>length</a></span><span class='op'>(</span><span class='va'>i</span><span class='op'>)</span>,
   col_ds <span class='op'>=</span> <span class='va'>pch_ds</span> <span class='op'>+</span> <span class='fl'>1</span>,
@@ -283,10 +283,10 @@ corresponding model prediction lines for the different datasets.</p></td>
 </div><div class='img'><img src='plot.mixed.mmkin-2.png' alt='' width='700' height='433' /></div><div class='input'>
 <span class='va'>f_saem</span> <span class='op'>&lt;-</span> <span class='fu'><a href='saem.html'>saem</a></span><span class='op'>(</span><span class='va'>f</span>, transformations <span class='op'>=</span> <span class='st'>"saemix"</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Running main SAEM algorithm
-#&gt; [1] "Mon Dec 21 05:58:23 2020"
+#&gt; [1] "Sat Feb  6 18:29:17 2021"
 #&gt; ....
 #&gt;     Minimisation finished
-#&gt; [1] "Mon Dec 21 05:58:30 2020"</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem</span><span class='op'>)</span>
+#&gt; [1] "Sat Feb  6 18:29:23 2021"</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem</span><span class='op'>)</span>
 </div><div class='img'><img src='plot.mixed.mmkin-3.png' alt='' width='700' height='433' /></div><div class='input'>
 <span class='co'># We can overlay the two variants if we generate predictions</span>
 <span class='va'>pred_nlme</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinpredict.html'>mkinpredict</a></span><span class='op'>(</span><span class='va'>dfop_sfo</span>,
diff --git a/docs/dev/reference/saem-3.png b/docs/dev/reference/saem-3.png
index 6a32cda1..4474b1f1 100644
--- a/docs/dev/reference/saem-3.png
+++ b/docs/dev/reference/saem-3.png
diff --git a/docs/dev/reference/saem-5.png b/docs/dev/reference/saem-5.png
index 6e6e0f91..27ed3f8f 100644
--- a/docs/dev/reference/saem-5.png
+++ b/docs/dev/reference/saem-5.png
diff --git a/docs/dev/reference/saem.html b/docs/dev/reference/saem.html
index 59589378..4578db2a 100644
--- a/docs/dev/reference/saem.html
+++ b/docs/dev/reference/saem.html
@@ -74,7 +74,7 @@ Expectation Maximisation algorithm (SAEM)." />
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -261,27 +261,27 @@ using <a href='mmkin.html'>mmkin</a>.</p>
   state.ini <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, fixed_initials <span class='op'>=</span> <span class='st'>"parent"</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
 <span class='va'>f_saem_p0_fixed</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent_p0_fixed</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Running main SAEM algorithm
-#&gt; [1] "Mon Jan 25 14:41:42 2021"
+#&gt; [1] "Sat Feb  6 18:29:26 2021"
 #&gt; ....
 #&gt;     Minimisation finished
-#&gt; [1] "Mon Jan 25 14:41:43 2021"</div><div class='input'>
+#&gt; [1] "Sat Feb  6 18:29:27 2021"</div><div class='input'>
 <span class='va'>f_mmkin_parent</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mmkin.html'>mmkin</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='st'>"SFO"</span>, <span class='st'>"FOMC"</span>, <span class='st'>"DFOP"</span><span class='op'>)</span>, <span class='va'>ds</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
 <span class='va'>f_saem_sfo</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"SFO"</span>, <span class='op'>]</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Running main SAEM algorithm
-#&gt; [1] "Mon Jan 25 14:41:45 2021"
+#&gt; [1] "Sat Feb  6 18:29:28 2021"
 #&gt; ....
 #&gt;     Minimisation finished
-#&gt; [1] "Mon Jan 25 14:41:46 2021"</div><div class='input'><span class='va'>f_saem_fomc</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"FOMC"</span>, <span class='op'>]</span><span class='op'>)</span>
+#&gt; [1] "Sat Feb  6 18:29:30 2021"</div><div class='input'><span class='va'>f_saem_fomc</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"FOMC"</span>, <span class='op'>]</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Running main SAEM algorithm
-#&gt; [1] "Mon Jan 25 14:41:47 2021"
+#&gt; [1] "Sat Feb  6 18:29:30 2021"
 #&gt; ....
 #&gt;     Minimisation finished
-#&gt; [1] "Mon Jan 25 14:41:49 2021"</div><div class='input'><span class='va'>f_saem_dfop</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"DFOP"</span>, <span class='op'>]</span><span class='op'>)</span>
+#&gt; [1] "Sat Feb  6 18:29:32 2021"</div><div class='input'><span class='va'>f_saem_dfop</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"DFOP"</span>, <span class='op'>]</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Running main SAEM algorithm
-#&gt; [1] "Mon Jan 25 14:41:49 2021"
+#&gt; [1] "Sat Feb  6 18:29:32 2021"
 #&gt; ....
 #&gt;     Minimisation finished
-#&gt; [1] "Mon Jan 25 14:41:52 2021"</div><div class='input'>
+#&gt; [1] "Sat Feb  6 18:29:35 2021"</div><div class='input'>
 <span class='co'># The returned saem.mmkin object contains an SaemixObject, therefore we can use</span>
 <span class='co'># functions from saemix</span>
 <span class='kw'><a href='https://rdrr.io/r/base/library.html'>library</a></span><span class='op'>(</span><span class='va'>saemix</span><span class='op'>)</span>
@@ -324,10 +324,10 @@ using <a href='mmkin.html'>mmkin</a>.</p>
 <span class='va'>f_mmkin_parent_tc</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/stats/update.html'>update</a></span><span class='op'>(</span><span class='va'>f_mmkin_parent</span>, error_model <span class='op'>=</span> <span class='st'>"tc"</span><span class='op'>)</span>
 <span class='va'>f_saem_fomc_tc</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent_tc</span><span class='op'>[</span><span class='st'>"FOMC"</span>, <span class='op'>]</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Running main SAEM algorithm
-#&gt; [1] "Mon Jan 25 14:41:55 2021"
+#&gt; [1] "Sat Feb  6 18:29:37 2021"
 #&gt; ....
 #&gt;     Minimisation finished
-#&gt; [1] "Mon Jan 25 14:42:00 2021"</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/compare.saemix.html'>compare.saemix</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span><span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, <span class='va'>f_saem_fomc_tc</span><span class='op'>$</span><span class='va'>so</span><span class='op'>)</span><span class='op'>)</span>
+#&gt; [1] "Sat Feb  6 18:29:42 2021"</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/compare.saemix.html'>compare.saemix</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span><span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, <span class='va'>f_saem_fomc_tc</span><span class='op'>$</span><span class='va'>so</span><span class='op'>)</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; <span class='error'>Error in compare.saemix(list(f_saem_fomc$so, f_saem_fomc_tc$so)): 'compare.saemix' requires at least two models.</span></div><div class='input'>
 <span class='va'>sfo_sfo</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span>, <span class='st'>"A1"</span><span class='op'>)</span>,
   A1 <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span><span class='op'>)</span><span class='op'>)</span>
@@ -346,15 +346,15 @@ using <a href='mmkin.html'>mmkin</a>.</p>
 <span class='co'># four minutes</span>
 <span class='va'>f_saem_sfo_sfo</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin</span><span class='op'>[</span><span class='st'>"SFO-SFO"</span>, <span class='op'>]</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Running main SAEM algorithm
-#&gt; [1] "Mon Jan 25 14:42:02 2021"
+#&gt; [1] "Sat Feb  6 18:29:44 2021"
 #&gt; ....
 #&gt;     Minimisation finished
-#&gt; [1] "Mon Jan 25 14:42:07 2021"</div><div class='input'><span class='va'>f_saem_dfop_sfo</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin</span><span class='op'>[</span><span class='st'>"DFOP-SFO"</span>, <span class='op'>]</span><span class='op'>)</span>
+#&gt; [1] "Sat Feb  6 18:29:48 2021"</div><div class='input'><span class='va'>f_saem_dfop_sfo</span> <span class='op'>&lt;-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin</span><span class='op'>[</span><span class='st'>"DFOP-SFO"</span>, <span class='op'>]</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Running main SAEM algorithm
-#&gt; [1] "Mon Jan 25 14:42:08 2021"
+#&gt; [1] "Sat Feb  6 18:29:49 2021"
 #&gt; ....
 #&gt;     Minimisation finished
-#&gt; [1] "Mon Jan 25 14:42:17 2021"</div><div class='input'><span class='co'># We can use print, plot and summary methods to check the results</span>
+#&gt; [1] "Sat Feb  6 18:29:57 2021"</div><div class='input'><span class='co'># We can use print, plot and summary methods to check the results</span>
 <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>f_saem_dfop_sfo</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Kinetic nonlinear mixed-effects model fit by SAEM
 #&gt; Structural model:
@@ -395,10 +395,10 @@ using <a href='mmkin.html'>mmkin</a>.</p>
 #&gt; SD.g_qlogis          0.44771 -0.86417  1.7596</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/plot-SaemixObject-method.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem_dfop_sfo</span><span class='op'>)</span>
 </div><div class='img'><img src='saem-5.png' alt='' width='700' height='433' /></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_saem_dfop_sfo</span>, data <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; saemix version used for fitting:      3.1.9000 
-#&gt; mkin version used for pre-fitting:  0.9.50.4 
+#&gt; mkin version used for pre-fitting:  1.0.1.9000 
 #&gt; R version used for fitting:         4.0.3 
-#&gt; Date of fit:     Mon Jan 25 14:42:18 2021 
-#&gt; Date of summary: Mon Jan 25 14:42:18 2021 
+#&gt; Date of fit:     Sat Feb  6 18:29:57 2021 
+#&gt; Date of summary: Sat Feb  6 18:29:58 2021 
 #&gt; 
 #&gt; Equations:
 #&gt; d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -413,7 +413,7 @@ using <a href='mmkin.html'>mmkin</a>.</p>
 #&gt; 
 #&gt; Model predictions using solution type analytical 
 #&gt; 
-#&gt; Fitted in 9.954 s using 300, 100 iterations
+#&gt; Fitted in 8.539 s using 300, 100 iterations
 #&gt; 
 #&gt; Variance model: Constant variance 
 #&gt; 
@@ -489,12 +489,12 @@ using <a href='mmkin.html'>mmkin</a>.</p>
 #&gt;   Dataset 6 parent    3     69.2  71.32042  2.12042 1.883     1.125873
 #&gt;   Dataset 6 parent    6     58.1  56.45256 -1.64744 1.883    -0.874739
 #&gt;   Dataset 6 parent    6     56.6  56.45256 -0.14744 1.883    -0.078288
-#&gt;   Dataset 6 parent   10     44.4  44.48523  0.08523 1.883     0.045256
+#&gt;   Dataset 6 parent   10     44.4  44.48523  0.08523 1.883     0.045257
 #&gt;   Dataset 6 parent   10     43.4  44.48523  1.08523 1.883     0.576224
 #&gt;   Dataset 6 parent   20     33.3  29.75774 -3.54226 1.883    -1.880826
 #&gt;   Dataset 6 parent   20     29.2  29.75774  0.55774 1.883     0.296141
 #&gt;   Dataset 6 parent   34     17.6  19.35710  1.75710 1.883     0.932966
-#&gt;   Dataset 6 parent   34     18.0  19.35710  1.35710 1.883     0.720578
+#&gt;   Dataset 6 parent   34     18.0  19.35710  1.35710 1.883     0.720579
 #&gt;   Dataset 6 parent   55     10.5  10.48443 -0.01557 1.883    -0.008266
 #&gt;   Dataset 6 parent   55      9.3  10.48443  1.18443 1.883     0.628895
 #&gt;   Dataset 6 parent   90      4.5   3.78622 -0.71378 1.883    -0.378995
@@ -560,9 +560,9 @@ using <a href='mmkin.html'>mmkin</a>.</p>
 #&gt;   Dataset 8 parent    1     64.9  67.73197  2.83197 1.883     1.503686
 #&gt;   Dataset 8 parent    1     66.2  67.73197  1.53197 1.883     0.813428
 #&gt;   Dataset 8 parent    3     43.5  41.58448 -1.91552 1.883    -1.017081
-#&gt;   Dataset 8 parent    3     44.1  41.58448 -2.51552 1.883    -1.335661
+#&gt;   Dataset 8 parent    3     44.1  41.58448 -2.51552 1.883    -1.335662
 #&gt;   Dataset 8 parent    8     18.3  19.62286  1.32286 1.883     0.702395
-#&gt;   Dataset 8 parent    8     18.1  19.62286  1.52286 1.883     0.808589
+#&gt;   Dataset 8 parent    8     18.1  19.62286  1.52286 1.883     0.808588
 #&gt;   Dataset 8 parent   14     10.2  10.77819  0.57819 1.883     0.306999
 #&gt;   Dataset 8 parent   14     10.8  10.77819 -0.02181 1.883    -0.011582
 #&gt;   Dataset 8 parent   27      4.9   3.26977 -1.63023 1.883    -0.865599
@@ -575,13 +575,13 @@ using <a href='mmkin.html'>mmkin</a>.</p>
 #&gt;   Dataset 8     A1    1      7.7   7.61539 -0.08461 1.883    -0.044923
 #&gt;   Dataset 8     A1    3     15.0  15.47954  0.47954 1.883     0.254622
 #&gt;   Dataset 8     A1    3     15.1  15.47954  0.37954 1.883     0.201525
-#&gt;   Dataset 8     A1    8     21.2  20.22616 -0.97384 1.883    -0.517076
+#&gt;   Dataset 8     A1    8     21.2  20.22616 -0.97384 1.883    -0.517075
 #&gt;   Dataset 8     A1    8     21.1  20.22616 -0.87384 1.883    -0.463979
 #&gt;   Dataset 8     A1   14     19.7  20.00067  0.30067 1.883     0.159645
 #&gt;   Dataset 8     A1   14     18.9  20.00067  1.10067 1.883     0.584419
-#&gt;   Dataset 8     A1   27     17.5  16.38142 -1.11858 1.883    -0.593929
-#&gt;   Dataset 8     A1   27     15.9  16.38142  0.48142 1.883     0.255619
-#&gt;   Dataset 8     A1   48      9.5  10.25357  0.75357 1.883     0.400123
+#&gt;   Dataset 8     A1   27     17.5  16.38142 -1.11858 1.883    -0.593928
+#&gt;   Dataset 8     A1   27     15.9  16.38142  0.48142 1.883     0.255620
+#&gt;   Dataset 8     A1   48      9.5  10.25357  0.75357 1.883     0.400124
 #&gt;   Dataset 8     A1   48      9.8  10.25357  0.45357 1.883     0.240833
 #&gt;   Dataset 8     A1   70      6.2   5.95728 -0.24272 1.883    -0.128878
 #&gt;   Dataset 8     A1   70      6.1   5.95728 -0.14272 1.883    -0.075781
@@ -622,7 +622,7 @@ using <a href='mmkin.html'>mmkin</a>.</p>
 #&gt;   Dataset 9     A1   91     10.0  10.09177  0.09177 1.883     0.048727
 #&gt;   Dataset 9     A1   91      9.5  10.09177  0.59177 1.883     0.314211
 #&gt;   Dataset 9     A1  120      9.1   7.91379 -1.18621 1.883    -0.629841
-#&gt;   Dataset 9     A1  120      9.0   7.91379 -1.08621 1.883    -0.576745
+#&gt;   Dataset 9     A1  120      9.0   7.91379 -1.08621 1.883    -0.576744
 #&gt;  Dataset 10 parent    0     96.1  93.65257 -2.44743 1.883    -1.299505
 #&gt;  Dataset 10 parent    0     94.3  93.65257 -0.64743 1.883    -0.343763
 #&gt;  Dataset 10 parent    8     73.9  77.85906  3.95906 1.883     2.102132
diff --git a/docs/dev/reference/summary.saem.mmkin.html b/docs/dev/reference/summary.saem.mmkin.html
index 722415fb..93e1365d 100644
--- a/docs/dev/reference/summary.saem.mmkin.html
+++ b/docs/dev/reference/summary.saem.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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -260,15 +260,15 @@ saemix authors for the parts inherited from saemix.</p>
   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'>5</span><span class='op'>)</span>
 <span class='va'>f_saem_dfop_sfo</span> <span class='op'>&lt;-</span> <span class='fu'><a href='saem.html'>saem</a></span><span class='op'>(</span><span class='va'>f_mmkin_dfop_sfo</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; Running main SAEM algorithm
-#&gt; [1] "Mon Jan 11 12:42:40 2021"
+#&gt; [1] "Sat Feb  6 18:30:00 2021"
 #&gt; ....
 #&gt;     Minimisation finished
-#&gt; [1] "Mon Jan 11 12:42:53 2021"</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_saem_dfop_sfo</span>, data <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
+#&gt; [1] "Sat Feb  6 18:30:11 2021"</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_saem_dfop_sfo</span>, data <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; saemix version used for fitting:      3.1.9000 
-#&gt; mkin version used for pre-fitting:  0.9.50.4 
+#&gt; mkin version used for pre-fitting:  1.0.1.9000 
 #&gt; R version used for fitting:         4.0.3 
-#&gt; Date of fit:     Mon Jan 11 12:42:54 2021 
-#&gt; Date of summary: Mon Jan 11 12:42:54 2021 
+#&gt; Date of fit:     Sat Feb  6 18:30:12 2021 
+#&gt; Date of summary: Sat Feb  6 18:30:12 2021 
 #&gt; 
 #&gt; Equations:
 #&gt; d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -283,7 +283,7 @@ saemix authors for the parts inherited from saemix.</p>
 #&gt; 
 #&gt; Model predictions using solution type analytical 
 #&gt; 
-#&gt; Fitted in 13.298 s using 300, 100 iterations
+#&gt; Fitted in 11.769 s using 300, 100 iterations
 #&gt; 
 #&gt; Variance model: Two-component variance function 
 #&gt; 
@@ -291,7 +291,7 @@ saemix authors for the parts inherited from saemix.</p>
 #&gt;        parent_0        log_k_m1 f_parent_qlogis          log_k1          log_k2 
 #&gt;       101.65645        -4.05368        -0.94311        -2.35943        -4.07006 
 #&gt;        g_qlogis 
-#&gt;        -0.01133 
+#&gt;        -0.01132 
 #&gt; 
 #&gt; Fixed degradation parameter values:
 #&gt; None
@@ -299,232 +299,232 @@ saemix authors for the parts inherited from saemix.</p>
 #&gt; Results:
 #&gt; 
 #&gt; Likelihood computed by importance sampling
-#&gt;   AIC   BIC logLik
-#&gt;   830 824.5   -401
+#&gt;     AIC   BIC logLik
+#&gt;   829.3 823.9 -400.7
 #&gt; 
 #&gt; Optimised parameters:
-#&gt;                     est.  lower    upper
-#&gt; parent_0        101.4423 97.862 105.0224
-#&gt; log_k_m1         -4.0703 -4.191  -3.9495
-#&gt; f_parent_qlogis  -0.9539 -1.313  -0.5949
-#&gt; log_k1           -2.9724 -3.811  -2.1342
-#&gt; log_k2           -3.4977 -4.206  -2.7895
-#&gt; g_qlogis         -0.0449 -1.116   1.0262
+#&gt;                      est.  lower    upper
+#&gt; parent_0        101.29457 97.855 104.7344
+#&gt; log_k_m1         -4.06337 -4.182  -3.9445
+#&gt; f_parent_qlogis  -0.94546 -1.307  -0.5841
+#&gt; log_k1           -2.98794 -3.844  -2.1321
+#&gt; log_k2           -3.47891 -4.253  -2.7050
+#&gt; g_qlogis         -0.03211 -1.157   1.0931
 #&gt; 
 #&gt; Correlation: 
 #&gt;                 prnt_0 lg_k_1 f_prn_ log_k1 log_k2
-#&gt; log_k_m1        -0.207                            
-#&gt; f_parent_qlogis -0.148  0.202                     
-#&gt; log_k1           0.040 -0.038 -0.022              
-#&gt; log_k2           0.022 -0.015 -0.009  0.001       
-#&gt; g_qlogis        -0.012  0.005  0.011 -0.173 -0.130
+#&gt; log_k_m1        -0.202                            
+#&gt; f_parent_qlogis -0.145  0.195                     
+#&gt; log_k1           0.094 -0.099 -0.049              
+#&gt; log_k2          -0.042  0.056  0.024 -0.097       
+#&gt; g_qlogis        -0.005  0.000  0.007 -0.160 -0.113
 #&gt; 
 #&gt; Random effects:
-#&gt;                       est.   lower  upper
-#&gt; SD.parent_0        2.88564 -0.5163 6.2876
-#&gt; SD.log_k_m1        0.08502 -0.0427 0.2127
-#&gt; SD.f_parent_qlogis 0.38857  0.1350 0.6421
-#&gt; SD.log_k1          0.92338  0.3296 1.5172
-#&gt; SD.log_k2          0.78644  0.2817 1.2912
-#&gt; SD.g_qlogis        0.34614 -0.8727 1.5650
+#&gt;                       est.    lower  upper
+#&gt; SD.parent_0        2.70085 -0.64980 6.0515
+#&gt; SD.log_k_m1        0.08408 -0.04023 0.2084
+#&gt; SD.f_parent_qlogis 0.39215  0.13695 0.6473
+#&gt; SD.log_k1          0.89280  0.27466 1.5109
+#&gt; SD.log_k2          0.82387  0.26388 1.3838
+#&gt; SD.g_qlogis        0.36468 -0.86978 1.5991
 #&gt; 
 #&gt; Variance model:
 #&gt;        est.   lower   upper
-#&gt; a.1 0.65859 0.49250 0.82469
-#&gt; b.1 0.06411 0.05006 0.07817
+#&gt; a.1 0.65724 0.49361 0.82086
+#&gt; b.1 0.06434 0.05034 0.07835
 #&gt; 
 #&gt; Backtransformed parameters:
 #&gt;                     est.    lower     upper
-#&gt; parent_0       101.44231 97.86220 105.02241
-#&gt; k_m1             0.01707  0.01513   0.01926
-#&gt; f_parent_to_m1   0.27811  0.21201   0.35551
-#&gt; k1               0.05118  0.02213   0.11834
-#&gt; k2               0.03027  0.01491   0.06145
-#&gt; g                0.48878  0.24675   0.73618
+#&gt; parent_0       101.29457 97.85477 104.73437
+#&gt; k_m1             0.01719  0.01526   0.01936
+#&gt; f_parent_to_m1   0.27980  0.21302   0.35798
+#&gt; k1               0.05039  0.02141   0.11859
+#&gt; k2               0.03084  0.01422   0.06687
+#&gt; g                0.49197  0.23916   0.74896
 #&gt; 
 #&gt; Resulting formation fractions:
 #&gt;                 ff
-#&gt; parent_m1   0.2781
-#&gt; parent_sink 0.7219
+#&gt; parent_m1   0.2798
+#&gt; parent_sink 0.7202
 #&gt; 
 #&gt; Estimated disappearance times:
 #&gt;         DT50   DT90 DT50back DT50_k1 DT50_k2
-#&gt; parent 17.53  61.64    18.55   13.54    22.9
-#&gt; m1     40.60 134.88       NA      NA      NA
+#&gt; parent 17.49  61.05    18.38   13.76   22.47
+#&gt; m1     40.32 133.94       NA      NA      NA
 #&gt; 
 #&gt; Data:
-#&gt;    ds   name time observed  predicted   residual    std standardized
-#&gt;  ds 1 parent    0     89.8  9.869e+01   8.894553 6.3618     1.398124
-#&gt;  ds 1 parent    0    104.1  9.869e+01  -5.405447 6.3618    -0.849676
-#&gt;  ds 1 parent    1     88.7  9.413e+01   5.426448 6.0706     0.893897
-#&gt;  ds 1 parent    1     95.5  9.413e+01  -1.373552 6.0706    -0.226265
-#&gt;  ds 1 parent    3     81.8  8.576e+01   3.961821 5.5377     0.715422
-#&gt;  ds 1 parent    3     94.5  8.576e+01  -8.738179 5.5377    -1.577932
-#&gt;  ds 1 parent    7     71.5  7.168e+01   0.184828 4.6429     0.039809
-#&gt;  ds 1 parent    7     70.3  7.168e+01   1.384828 4.6429     0.298270
-#&gt;  ds 1 parent   14     54.2  5.351e+01  -0.688235 3.4934    -0.197008
-#&gt;  ds 1 parent   14     49.6  5.351e+01   3.911765 3.4934     1.119747
-#&gt;  ds 1 parent   28     31.5  3.209e+01   0.590445 2.1603     0.273322
-#&gt;  ds 1 parent   28     28.8  3.209e+01   3.290445 2.1603     1.523177
-#&gt;  ds 1 parent   60     12.1  1.272e+01   0.618158 1.0481     0.589761
-#&gt;  ds 1 parent   60     13.6  1.272e+01  -0.881842 1.0481    -0.841332
-#&gt;  ds 1 parent   90      6.2  6.085e+00  -0.115212 0.7655    -0.150512
-#&gt;  ds 1 parent   90      8.3  6.085e+00  -2.215212 0.7655    -2.893953
-#&gt;  ds 1 parent  120      2.2  3.009e+00   0.809439 0.6863     1.179470
-#&gt;  ds 1 parent  120      2.4  3.009e+00   0.609439 0.6863     0.888041
-#&gt;  ds 1     m1    1      0.3  1.129e+00   0.828817 0.6626     1.250938
-#&gt;  ds 1     m1    1      0.2  1.129e+00   0.928817 0.6626     1.401869
-#&gt;  ds 1     m1    3      2.2  3.141e+00   0.940880 0.6887     1.366187
-#&gt;  ds 1     m1    3      3.0  3.141e+00   0.140880 0.6887     0.204562
-#&gt;  ds 1     m1    7      6.5  6.326e+00  -0.174162 0.7735    -0.225175
-#&gt;  ds 1     m1    7      5.0  6.326e+00   1.325838 0.7735     1.714181
-#&gt;  ds 1     m1   14     10.2  9.883e+00  -0.317417 0.9139    -0.347326
-#&gt;  ds 1     m1   14      9.5  9.883e+00   0.382583 0.9139     0.418631
-#&gt;  ds 1     m1   28     12.2  1.251e+01   0.309856 1.0378     0.298572
-#&gt;  ds 1     m1   28     13.4  1.251e+01  -0.890144 1.0378    -0.857726
-#&gt;  ds 1     m1   60     11.8  1.086e+01  -0.940009 0.9584    -0.980812
-#&gt;  ds 1     m1   60     13.2  1.086e+01  -2.340009 0.9584    -2.441581
-#&gt;  ds 1     m1   90      6.6  7.823e+00   1.222977 0.8278     1.477332
-#&gt;  ds 1     m1   90      9.3  7.823e+00  -1.477023 0.8278    -1.784214
-#&gt;  ds 1     m1  120      3.5  5.315e+00   1.815201 0.7415     2.447906
-#&gt;  ds 1     m1  120      5.4  5.315e+00  -0.084799 0.7415    -0.114356
-#&gt;  ds 2 parent    0    118.0  1.031e+02 -14.876736 6.6443    -2.239038
-#&gt;  ds 2 parent    0     99.8  1.031e+02   3.323264 6.6443     0.500171
-#&gt;  ds 2 parent    1     90.2  9.757e+01   7.371379 6.2902     1.171891
-#&gt;  ds 2 parent    1     94.6  9.757e+01   2.971379 6.2902     0.472386
-#&gt;  ds 2 parent    3     96.1  8.788e+01  -8.222746 5.6724    -1.449599
-#&gt;  ds 2 parent    3     78.4  8.788e+01   9.477254 5.6724     1.670758
-#&gt;  ds 2 parent    7     77.9  7.293e+01  -4.972272 4.7218    -1.053054
-#&gt;  ds 2 parent    7     77.7  7.293e+01  -4.772272 4.7218    -1.010697
-#&gt;  ds 2 parent   14     56.0  5.602e+01   0.016773 3.6513     0.004594
-#&gt;  ds 2 parent   14     54.7  5.602e+01   1.316773 3.6513     0.360633
-#&gt;  ds 2 parent   28     36.6  3.855e+01   1.945779 2.5575     0.760803
-#&gt;  ds 2 parent   28     36.8  3.855e+01   1.745779 2.5575     0.682603
-#&gt;  ds 2 parent   60     22.1  2.101e+01  -1.086693 1.4996    -0.724663
-#&gt;  ds 2 parent   60     24.7  2.101e+01  -3.686693 1.4996    -2.458475
-#&gt;  ds 2 parent   90     12.4  1.246e+01   0.058759 1.0353     0.056757
-#&gt;  ds 2 parent   90     10.8  1.246e+01   1.658759 1.0353     1.602256
-#&gt;  ds 2 parent  120      6.8  7.406e+00   0.606226 0.8119     0.746659
-#&gt;  ds 2 parent  120      7.9  7.406e+00  -0.493774 0.8119    -0.608157
-#&gt;  ds 2     m1    1      1.3  1.438e+00   0.138236 0.6650     0.207869
-#&gt;  ds 2     m1    3      3.7  3.879e+00   0.178617 0.7040     0.253726
-#&gt;  ds 2     m1    3      4.7  3.879e+00  -0.821383 0.7040    -1.166780
-#&gt;  ds 2     m1    7      8.1  7.389e+00  -0.710951 0.8113    -0.876337
-#&gt;  ds 2     m1    7      7.9  7.389e+00  -0.510951 0.8113    -0.629812
-#&gt;  ds 2     m1   14     10.1  1.069e+01   0.593533 0.9507     0.624328
-#&gt;  ds 2     m1   14     10.3  1.069e+01   0.393533 0.9507     0.413951
-#&gt;  ds 2     m1   28     10.7  1.240e+01   1.703647 1.0325     1.649956
-#&gt;  ds 2     m1   28     12.2  1.240e+01   0.203647 1.0325     0.197229
-#&gt;  ds 2     m1   60     10.7  1.055e+01  -0.147672 0.9442    -0.156405
-#&gt;  ds 2     m1   60     12.5  1.055e+01  -1.947672 0.9442    -2.062848
-#&gt;  ds 2     m1   90      9.1  8.010e+00  -1.090041 0.8351    -1.305210
-#&gt;  ds 2     m1   90      7.4  8.010e+00   0.609959 0.8351     0.730362
-#&gt;  ds 2     m1  120      6.1  5.793e+00  -0.306797 0.7561    -0.405759
-#&gt;  ds 2     m1  120      4.5  5.793e+00   1.293203 0.7561     1.710347
-#&gt;  ds 3 parent    0    106.2  1.035e+02  -2.712344 6.6675    -0.406801
-#&gt;  ds 3 parent    0    106.9  1.035e+02  -3.412344 6.6675    -0.511788
-#&gt;  ds 3 parent    1    107.4  9.548e+01 -11.924044 6.1566    -1.936801
-#&gt;  ds 3 parent    1     96.1  9.548e+01  -0.624044 6.1566    -0.101362
-#&gt;  ds 3 parent    3     79.4  8.246e+01   3.056105 5.3274     0.573662
-#&gt;  ds 3 parent    3     82.6  8.246e+01  -0.143895 5.3274    -0.027010
-#&gt;  ds 3 parent    7     63.9  6.489e+01   0.991141 4.2122     0.235304
-#&gt;  ds 3 parent    7     62.4  6.489e+01   2.491141 4.2122     0.591416
-#&gt;  ds 3 parent   14     51.0  4.869e+01  -2.306824 3.1906    -0.723013
-#&gt;  ds 3 parent   14     47.1  4.869e+01   1.593176 3.1906     0.499338
-#&gt;  ds 3 parent   28     36.1  3.480e+01  -1.304261 2.3260    -0.560722
-#&gt;  ds 3 parent   28     36.6  3.480e+01  -1.804261 2.3260    -0.775679
-#&gt;  ds 3 parent   60     20.1  1.988e+01  -0.221952 1.4346    -0.154719
-#&gt;  ds 3 parent   60     19.8  1.988e+01   0.078048 1.4346     0.054406
-#&gt;  ds 3 parent   90     11.3  1.194e+01   0.642458 1.0099     0.636132
-#&gt;  ds 3 parent   90     10.7  1.194e+01   1.242458 1.0099     1.230224
-#&gt;  ds 3 parent  120      8.2  7.176e+00  -1.023847 0.8034    -1.274423
-#&gt;  ds 3 parent  120      7.3  7.176e+00  -0.123847 0.8034    -0.154158
-#&gt;  ds 3     m1    0      0.8  8.527e-13  -0.800000 0.6586    -1.214712
-#&gt;  ds 3     m1    1      1.8  1.856e+00   0.055925 0.6693     0.083562
-#&gt;  ds 3     m1    1      2.3  1.856e+00  -0.444075 0.6693    -0.663537
-#&gt;  ds 3     m1    3      4.2  4.780e+00   0.580164 0.7264     0.798676
-#&gt;  ds 3     m1    3      4.1  4.780e+00   0.680164 0.7264     0.936340
-#&gt;  ds 3     m1    7      6.8  8.410e+00   1.609920 0.8512     1.891455
-#&gt;  ds 3     m1    7     10.1  8.410e+00  -1.690080 0.8512    -1.985633
-#&gt;  ds 3     m1   14     11.4  1.098e+01  -0.424444 0.9638    -0.440389
-#&gt;  ds 3     m1   14     12.8  1.098e+01  -1.824444 0.9638    -1.892979
-#&gt;  ds 3     m1   28     11.5  1.142e+01  -0.079336 0.9848    -0.080558
-#&gt;  ds 3     m1   28     10.6  1.142e+01   0.820664 0.9848     0.833311
-#&gt;  ds 3     m1   60      7.5  9.110e+00   1.610231 0.8803     1.829222
-#&gt;  ds 3     m1   60      8.6  9.110e+00   0.510231 0.8803     0.579622
-#&gt;  ds 3     m1   90      7.3  6.799e+00  -0.501085 0.7898    -0.634463
-#&gt;  ds 3     m1   90      8.1  6.799e+00  -1.301085 0.7898    -1.647404
-#&gt;  ds 3     m1  120      5.3  4.868e+00  -0.431505 0.7288    -0.592064
-#&gt;  ds 3     m1  120      3.8  4.868e+00   1.068495 0.7288     1.466073
-#&gt;  ds 4 parent    0    104.7  9.926e+01  -5.444622 6.3975    -0.851049
-#&gt;  ds 4 parent    0     88.3  9.926e+01  10.955378 6.3975     1.712436
-#&gt;  ds 4 parent    1     94.2  9.618e+01   1.978413 6.2013     0.319030
-#&gt;  ds 4 parent    1     94.6  9.618e+01   1.578413 6.2013     0.254527
-#&gt;  ds 4 parent    3     78.1  9.037e+01  12.268550 5.8311     2.103985
-#&gt;  ds 4 parent    3     96.5  9.037e+01  -6.131450 5.8311    -1.051508
-#&gt;  ds 4 parent    7     76.2  7.999e+01   3.794958 5.1708     0.733918
-#&gt;  ds 4 parent    7     77.8  7.999e+01   2.194958 5.1708     0.424489
-#&gt;  ds 4 parent   14     70.8  6.518e+01  -5.624996 4.2301    -1.329742
-#&gt;  ds 4 parent   14     67.3  6.518e+01  -2.124996 4.2301    -0.502346
-#&gt;  ds 4 parent   28     43.1  4.462e+01   1.517860 2.9354     0.517085
-#&gt;  ds 4 parent   28     45.1  4.462e+01  -0.482140 2.9354    -0.164249
-#&gt;  ds 4 parent   60     21.3  2.130e+01  -0.003305 1.5159    -0.002180
-#&gt;  ds 4 parent   60     23.5  2.130e+01  -2.203305 1.5159    -1.453435
-#&gt;  ds 4 parent   90     11.8  1.180e+01   0.002834 1.0032     0.002825
-#&gt;  ds 4 parent   90     12.1  1.180e+01  -0.297166 1.0032    -0.296226
-#&gt;  ds 4 parent  120      7.0  6.868e+00  -0.132251 0.7922    -0.166937
-#&gt;  ds 4 parent  120      6.2  6.868e+00   0.667749 0.7922     0.842879
-#&gt;  ds 4     m1    0      1.6  0.000e+00  -1.600000 0.6586    -2.429424
-#&gt;  ds 4     m1    1      0.9  6.826e-01  -0.217363 0.6600    -0.329315
-#&gt;  ds 4     m1    3      3.7  1.935e+00  -1.765082 0.6702    -2.633768
-#&gt;  ds 4     m1    3      2.0  1.935e+00  -0.065082 0.6702    -0.097112
-#&gt;  ds 4     m1    7      3.6  4.035e+00   0.434805 0.7076     0.614501
-#&gt;  ds 4     m1    7      3.8  4.035e+00   0.234805 0.7076     0.331845
-#&gt;  ds 4     m1   14      7.1  6.652e+00  -0.448187 0.7846    -0.571220
-#&gt;  ds 4     m1   14      6.6  6.652e+00   0.051813 0.7846     0.066036
-#&gt;  ds 4     m1   28      9.5  9.156e+00  -0.343805 0.8822    -0.389696
-#&gt;  ds 4     m1   28      9.3  9.156e+00  -0.143805 0.8822    -0.163000
-#&gt;  ds 4     m1   60      8.3  8.848e+00   0.547762 0.8692     0.630185
-#&gt;  ds 4     m1   60      9.0  8.848e+00  -0.152238 0.8692    -0.175146
-#&gt;  ds 4     m1   90      6.6  6.674e+00   0.073979 0.7854     0.094194
-#&gt;  ds 4     m1   90      7.7  6.674e+00  -1.026021 0.7854    -1.306390
-#&gt;  ds 4     m1  120      3.7  4.668e+00   0.967537 0.7234     1.337503
-#&gt;  ds 4     m1  120      3.5  4.668e+00   1.167537 0.7234     1.613979
-#&gt;  ds 5 parent    0    110.4  1.022e+02  -8.170986 6.5872    -1.240433
-#&gt;  ds 5 parent    0    112.1  1.022e+02  -9.870986 6.5872    -1.498509
-#&gt;  ds 5 parent    1     93.5  9.513e+01   1.630764 6.1346     0.265832
-#&gt;  ds 5 parent    1     91.0  9.513e+01   4.130764 6.1346     0.673359
-#&gt;  ds 5 parent    3     71.0  8.296e+01  11.964279 5.3597     2.232268
-#&gt;  ds 5 parent    3     89.7  8.296e+01  -6.735721 5.3597    -1.256735
-#&gt;  ds 5 parent    7     60.4  6.495e+01   4.547441 4.2157     1.078684
-#&gt;  ds 5 parent    7     59.1  6.495e+01   5.847441 4.2157     1.387053
-#&gt;  ds 5 parent   14     56.5  4.626e+01 -10.241319 3.0380    -3.371047
-#&gt;  ds 5 parent   14     47.0  4.626e+01  -0.741319 3.0380    -0.244014
-#&gt;  ds 5 parent   28     30.2  3.026e+01   0.058478 2.0487     0.028544
-#&gt;  ds 5 parent   28     23.9  3.026e+01   6.358478 2.0487     3.103661
-#&gt;  ds 5 parent   60     17.0  1.792e+01   0.919046 1.3242     0.694024
-#&gt;  ds 5 parent   60     18.7  1.792e+01  -0.780954 1.3242    -0.589742
-#&gt;  ds 5 parent   90     11.3  1.187e+01   0.573917 1.0066     0.570144
-#&gt;  ds 5 parent   90     11.9  1.187e+01  -0.026083 1.0066    -0.025912
-#&gt;  ds 5 parent  120      9.0  7.898e+00  -1.102089 0.8307    -1.326622
-#&gt;  ds 5 parent  120      8.1  7.898e+00  -0.202089 0.8307    -0.243261
-#&gt;  ds 5     m1    0      0.7 -1.421e-14  -0.700000 0.6586    -1.062873
-#&gt;  ds 5     m1    1      3.0  3.144e+00   0.143526 0.6887     0.208390
-#&gt;  ds 5     m1    1      2.6  3.144e+00   0.543526 0.6887     0.789161
-#&gt;  ds 5     m1    3      5.1  8.390e+00   3.290265 0.8504     3.869277
-#&gt;  ds 5     m1    3      7.5  8.390e+00   0.890265 0.8504     1.046932
-#&gt;  ds 5     m1    7     16.5  1.566e+01  -0.841368 1.2007    -0.700751
-#&gt;  ds 5     m1    7     19.0  1.566e+01  -3.341368 1.2007    -2.782928
-#&gt;  ds 5     m1   14     22.9  2.188e+01  -1.017753 1.5498    -0.656687
-#&gt;  ds 5     m1   14     23.2  2.188e+01  -1.317753 1.5498    -0.850257
-#&gt;  ds 5     m1   28     22.2  2.386e+01   1.655914 1.6652     0.994399
-#&gt;  ds 5     m1   28     24.4  2.386e+01  -0.544086 1.6652    -0.326731
-#&gt;  ds 5     m1   60     15.5  1.859e+01   3.091124 1.3618     2.269915
-#&gt;  ds 5     m1   60     19.8  1.859e+01  -1.208876 1.3618    -0.887718
-#&gt;  ds 5     m1   90     14.9  1.372e+01  -1.176815 1.0990    -1.070784
-#&gt;  ds 5     m1   90     14.2  1.372e+01  -0.476815 1.0990    -0.433854
-#&gt;  ds 5     m1  120     10.9  9.961e+00  -0.938796 0.9174    -1.023332
-#&gt;  ds 5     m1  120     10.4  9.961e+00  -0.438796 0.9174    -0.478308</div><div class='input'><span class='co'># }</span>
+#&gt;    ds   name time observed  predicted  residual    std standardized
+#&gt;  ds 1 parent    0     89.8  9.878e+01   8.98039 6.3899      1.40541
+#&gt;  ds 1 parent    0    104.1  9.878e+01  -5.31961 6.3899     -0.83251
+#&gt;  ds 1 parent    1     88.7  9.422e+01   5.52084 6.0981      0.90533
+#&gt;  ds 1 parent    1     95.5  9.422e+01  -1.27916 6.0981     -0.20976
+#&gt;  ds 1 parent    3     81.8  8.587e+01   4.06752 5.5641      0.73103
+#&gt;  ds 1 parent    3     94.5  8.587e+01  -8.63248 5.5641     -1.55147
+#&gt;  ds 1 parent    7     71.5  7.180e+01   0.29615 4.6662      0.06347
+#&gt;  ds 1 parent    7     70.3  7.180e+01   1.49615 4.6662      0.32063
+#&gt;  ds 1 parent   14     54.2  5.360e+01  -0.59602 3.5112     -0.16975
+#&gt;  ds 1 parent   14     49.6  5.360e+01   4.00398 3.5112      1.14035
+#&gt;  ds 1 parent   28     31.5  3.213e+01   0.62529 2.1691      0.28828
+#&gt;  ds 1 parent   28     28.8  3.213e+01   3.32529 2.1691      1.53306
+#&gt;  ds 1 parent   60     12.1  1.271e+01   0.60718 1.0490      0.57879
+#&gt;  ds 1 parent   60     13.6  1.271e+01  -0.89282 1.0490     -0.85108
+#&gt;  ds 1 parent   90      6.2  6.080e+00  -0.12020 0.7649     -0.15716
+#&gt;  ds 1 parent   90      8.3  6.080e+00  -2.22020 0.7649     -2.90279
+#&gt;  ds 1 parent  120      2.2  3.011e+00   0.81059 0.6852      1.18302
+#&gt;  ds 1 parent  120      2.4  3.011e+00   0.61059 0.6852      0.89113
+#&gt;  ds 1     m1    1      0.3  1.131e+00   0.83071 0.6613      1.25628
+#&gt;  ds 1     m1    1      0.2  1.131e+00   0.93071 0.6613      1.40750
+#&gt;  ds 1     m1    3      2.2  3.147e+00   0.94691 0.6877      1.37688
+#&gt;  ds 1     m1    3      3.0  3.147e+00   0.14691 0.6877      0.21361
+#&gt;  ds 1     m1    7      6.5  6.341e+00  -0.15949 0.7736     -0.20618
+#&gt;  ds 1     m1    7      5.0  6.341e+00   1.34051 0.7736      1.73290
+#&gt;  ds 1     m1   14     10.2  9.910e+00  -0.28991 0.9157     -0.31659
+#&gt;  ds 1     m1   14      9.5  9.910e+00   0.41009 0.9157      0.44783
+#&gt;  ds 1     m1   28     12.2  1.255e+01   0.34690 1.0410      0.33323
+#&gt;  ds 1     m1   28     13.4  1.255e+01  -0.85310 1.0410     -0.81949
+#&gt;  ds 1     m1   60     11.8  1.087e+01  -0.92713 0.9599     -0.96586
+#&gt;  ds 1     m1   60     13.2  1.087e+01  -2.32713 0.9599     -2.42434
+#&gt;  ds 1     m1   90      6.6  7.813e+00   1.21254 0.8274      1.46541
+#&gt;  ds 1     m1   90      9.3  7.813e+00  -1.48746 0.8274     -1.79766
+#&gt;  ds 1     m1  120      3.5  5.295e+00   1.79489 0.7403      2.42457
+#&gt;  ds 1     m1  120      5.4  5.295e+00  -0.10511 0.7403     -0.14198
+#&gt;  ds 2 parent    0    118.0  1.074e+02 -10.63436 6.9396     -1.53242
+#&gt;  ds 2 parent    0     99.8  1.074e+02   7.56564 6.9396      1.09021
+#&gt;  ds 2 parent    1     90.2  1.012e+02  10.96486 6.5425      1.67594
+#&gt;  ds 2 parent    1     94.6  1.012e+02   6.56486 6.5425      1.00342
+#&gt;  ds 2 parent    3     96.1  9.054e+01  -5.56014 5.8627     -0.94839
+#&gt;  ds 2 parent    3     78.4  9.054e+01  12.13986 5.8627      2.07069
+#&gt;  ds 2 parent    7     77.9  7.468e+01  -3.21805 4.8501     -0.66350
+#&gt;  ds 2 parent    7     77.7  7.468e+01  -3.01805 4.8501     -0.62226
+#&gt;  ds 2 parent   14     56.0  5.748e+01   1.47774 3.7563      0.39340
+#&gt;  ds 2 parent   14     54.7  5.748e+01   2.77774 3.7563      0.73948
+#&gt;  ds 2 parent   28     36.6  3.996e+01   3.36317 2.6541      1.26717
+#&gt;  ds 2 parent   28     36.8  3.996e+01   3.16317 2.6541      1.19182
+#&gt;  ds 2 parent   60     22.1  2.132e+01  -0.78225 1.5210     -0.51430
+#&gt;  ds 2 parent   60     24.7  2.132e+01  -3.38225 1.5210     -2.22369
+#&gt;  ds 2 parent   90     12.4  1.215e+01  -0.25010 1.0213     -0.24487
+#&gt;  ds 2 parent   90     10.8  1.215e+01   1.34990 1.0213      1.32169
+#&gt;  ds 2 parent  120      6.8  6.931e+00   0.13105 0.7943      0.16500
+#&gt;  ds 2 parent  120      7.9  6.931e+00  -0.96895 0.7943     -1.21994
+#&gt;  ds 2     m1    1      1.3  1.519e+00   0.21924 0.6645      0.32995
+#&gt;  ds 2     m1    3      3.7  4.049e+00   0.34891 0.7070      0.49351
+#&gt;  ds 2     m1    3      4.7  4.049e+00  -0.65109 0.7070     -0.92094
+#&gt;  ds 2     m1    7      8.1  7.565e+00  -0.53526 0.8179     -0.65448
+#&gt;  ds 2     m1    7      7.9  7.565e+00  -0.33526 0.8179     -0.40993
+#&gt;  ds 2     m1   14     10.1  1.071e+01   0.60614 0.9521      0.63663
+#&gt;  ds 2     m1   14     10.3  1.071e+01   0.40614 0.9521      0.42657
+#&gt;  ds 2     m1   28     10.7  1.224e+01   1.54440 1.0260      1.50526
+#&gt;  ds 2     m1   28     12.2  1.224e+01   0.04440 1.0260      0.04327
+#&gt;  ds 2     m1   60     10.7  1.056e+01  -0.14005 0.9453     -0.14815
+#&gt;  ds 2     m1   60     12.5  1.056e+01  -1.94005 0.9453     -2.05226
+#&gt;  ds 2     m1   90      9.1  8.089e+00  -1.01088 0.8384     -1.20577
+#&gt;  ds 2     m1   90      7.4  8.089e+00   0.68912 0.8384      0.82197
+#&gt;  ds 2     m1  120      6.1  5.855e+00  -0.24463 0.7576     -0.32292
+#&gt;  ds 2     m1  120      4.5  5.855e+00   1.35537 0.7576      1.78911
+#&gt;  ds 3 parent    0    106.2  1.095e+02   3.30335 7.0765      0.46680
+#&gt;  ds 3 parent    0    106.9  1.095e+02   2.60335 7.0765      0.36788
+#&gt;  ds 3 parent    1    107.4  9.939e+01  -8.01282 6.4287     -1.24641
+#&gt;  ds 3 parent    1     96.1  9.939e+01   3.28718 6.4287      0.51133
+#&gt;  ds 3 parent    3     79.4  8.365e+01   4.24698 5.4222      0.78326
+#&gt;  ds 3 parent    3     82.6  8.365e+01   1.04698 5.4222      0.19309
+#&gt;  ds 3 parent    7     63.9  6.405e+01   0.14704 4.1732      0.03523
+#&gt;  ds 3 parent    7     62.4  6.405e+01   1.64704 4.1732      0.39467
+#&gt;  ds 3 parent   14     51.0  4.795e+01  -3.04985 3.1546     -0.96681
+#&gt;  ds 3 parent   14     47.1  4.795e+01   0.85015 3.1546      0.26950
+#&gt;  ds 3 parent   28     36.1  3.501e+01  -1.09227 2.3465     -0.46549
+#&gt;  ds 3 parent   28     36.6  3.501e+01  -1.59227 2.3465     -0.67858
+#&gt;  ds 3 parent   60     20.1  2.012e+01   0.02116 1.4520      0.01457
+#&gt;  ds 3 parent   60     19.8  2.012e+01   0.32116 1.4520      0.22119
+#&gt;  ds 3 parent   90     11.3  1.206e+01   0.76096 1.0170      0.74826
+#&gt;  ds 3 parent   90     10.7  1.206e+01   1.36096 1.0170      1.33825
+#&gt;  ds 3 parent  120      8.2  7.230e+00  -0.97022 0.8052     -1.20493
+#&gt;  ds 3 parent  120      7.3  7.230e+00  -0.07022 0.8052     -0.08721
+#&gt;  ds 3     m1    0      0.8 -5.684e-13  -0.80000 0.6572     -1.21722
+#&gt;  ds 3     m1    1      1.8  2.045e+00   0.24538 0.6703      0.36608
+#&gt;  ds 3     m1    1      2.3  2.045e+00  -0.25462 0.6703     -0.37987
+#&gt;  ds 3     m1    3      4.2  5.136e+00   0.93594 0.7356      1.27228
+#&gt;  ds 3     m1    3      4.1  5.136e+00   1.03594 0.7356      1.40822
+#&gt;  ds 3     m1    7      6.8  8.674e+00   1.87438 0.8623      2.17381
+#&gt;  ds 3     m1    7     10.1  8.674e+00  -1.42562 0.8623     -1.65335
+#&gt;  ds 3     m1   14     11.4  1.083e+01  -0.56746 0.9580     -0.59233
+#&gt;  ds 3     m1   14     12.8  1.083e+01  -1.96746 0.9580     -2.05369
+#&gt;  ds 3     m1   28     11.5  1.098e+01  -0.51762 0.9651     -0.53637
+#&gt;  ds 3     m1   28     10.6  1.098e+01   0.38238 0.9651      0.39623
+#&gt;  ds 3     m1   60      7.5  8.889e+00   1.38911 0.8713      1.59436
+#&gt;  ds 3     m1   60      8.6  8.889e+00   0.28911 0.8713      0.33183
+#&gt;  ds 3     m1   90      7.3  6.774e+00  -0.52608 0.7886     -0.66708
+#&gt;  ds 3     m1   90      8.1  6.774e+00  -1.32608 0.7886     -1.68150
+#&gt;  ds 3     m1  120      5.3  4.954e+00  -0.34584 0.7305     -0.47345
+#&gt;  ds 3     m1  120      3.8  4.954e+00   1.15416 0.7305      1.58004
+#&gt;  ds 4 parent    0    104.7  9.957e+01  -5.13169 6.4403     -0.79681
+#&gt;  ds 4 parent    0     88.3  9.957e+01  11.26831 6.4403      1.74966
+#&gt;  ds 4 parent    1     94.2  9.644e+01   2.23888 6.2400      0.35879
+#&gt;  ds 4 parent    1     94.6  9.644e+01   1.83888 6.2400      0.29469
+#&gt;  ds 4 parent    3     78.1  9.054e+01  12.43946 5.8627      2.12180
+#&gt;  ds 4 parent    3     96.5  9.054e+01  -5.96054 5.8627     -1.01669
+#&gt;  ds 4 parent    7     76.2  8.004e+01   3.83771 5.1918      0.73919
+#&gt;  ds 4 parent    7     77.8  8.004e+01   2.23771 5.1918      0.43101
+#&gt;  ds 4 parent   14     70.8  6.511e+01  -5.69246 4.2406     -1.34238
+#&gt;  ds 4 parent   14     67.3  6.511e+01  -2.19246 4.2406     -0.51702
+#&gt;  ds 4 parent   28     43.1  4.454e+01   1.43744 2.9401      0.48890
+#&gt;  ds 4 parent   28     45.1  4.454e+01  -0.56256 2.9401     -0.19134
+#&gt;  ds 4 parent   60     21.3  2.132e+01   0.02005 1.5211      0.01318
+#&gt;  ds 4 parent   60     23.5  2.132e+01  -2.17995 1.5211     -1.43310
+#&gt;  ds 4 parent   90     11.8  1.182e+01   0.02167 1.0053      0.02156
+#&gt;  ds 4 parent   90     12.1  1.182e+01  -0.27833 1.0053     -0.27687
+#&gt;  ds 4 parent  120      7.0  6.852e+00  -0.14780 0.7914     -0.18675
+#&gt;  ds 4 parent  120      6.2  6.852e+00   0.65220 0.7914      0.82408
+#&gt;  ds 4     m1    0      1.6 -5.684e-14  -1.60000 0.6572     -2.43444
+#&gt;  ds 4     m1    1      0.9  6.918e-01  -0.20821 0.6587     -0.31607
+#&gt;  ds 4     m1    3      3.7  1.959e+00  -1.74131 0.6692     -2.60204
+#&gt;  ds 4     m1    3      2.0  1.959e+00  -0.04131 0.6692     -0.06173
+#&gt;  ds 4     m1    7      3.6  4.076e+00   0.47590 0.7076      0.67252
+#&gt;  ds 4     m1    7      3.8  4.076e+00   0.27590 0.7076      0.38989
+#&gt;  ds 4     m1   14      7.1  6.698e+00  -0.40189 0.7859     -0.51135
+#&gt;  ds 4     m1   14      6.6  6.698e+00   0.09811 0.7859      0.12483
+#&gt;  ds 4     m1   28      9.5  9.175e+00  -0.32492 0.8835     -0.36779
+#&gt;  ds 4     m1   28      9.3  9.175e+00  -0.12492 0.8835     -0.14141
+#&gt;  ds 4     m1   60      8.3  8.818e+00   0.51810 0.8683      0.59671
+#&gt;  ds 4     m1   60      9.0  8.818e+00  -0.18190 0.8683     -0.20949
+#&gt;  ds 4     m1   90      6.6  6.645e+00   0.04480 0.7841      0.05713
+#&gt;  ds 4     m1   90      7.7  6.645e+00  -1.05520 0.7841     -1.34581
+#&gt;  ds 4     m1  120      3.7  4.648e+00   0.94805 0.7221      1.31293
+#&gt;  ds 4     m1  120      3.5  4.648e+00   1.14805 0.7221      1.58991
+#&gt;  ds 5 parent    0    110.4  1.026e+02  -7.81752 6.6333     -1.17853
+#&gt;  ds 5 parent    0    112.1  1.026e+02  -9.51752 6.6333     -1.43482
+#&gt;  ds 5 parent    1     93.5  9.560e+01   2.10274 6.1865      0.33989
+#&gt;  ds 5 parent    1     91.0  9.560e+01   4.60274 6.1865      0.74399
+#&gt;  ds 5 parent    3     71.0  8.356e+01  12.55799 5.4165      2.31846
+#&gt;  ds 5 parent    3     89.7  8.356e+01  -6.14201 5.4165     -1.13394
+#&gt;  ds 5 parent    7     60.4  6.550e+01   5.09732 4.2653      1.19506
+#&gt;  ds 5 parent    7     59.1  6.550e+01   6.39732 4.2653      1.49984
+#&gt;  ds 5 parent   14     56.5  4.641e+01 -10.09145 3.0576     -3.30044
+#&gt;  ds 5 parent   14     47.0  4.641e+01  -0.59145 3.0576     -0.19344
+#&gt;  ds 5 parent   28     30.2  2.982e+01  -0.37647 2.0284     -0.18560
+#&gt;  ds 5 parent   28     23.9  2.982e+01   5.92353 2.0284      2.92028
+#&gt;  ds 5 parent   60     17.0  1.754e+01   0.53981 1.3060      0.41332
+#&gt;  ds 5 parent   60     18.7  1.754e+01  -1.16019 1.3060     -0.88834
+#&gt;  ds 5 parent   90     11.3  1.175e+01   0.45050 1.0018      0.44969
+#&gt;  ds 5 parent   90     11.9  1.175e+01  -0.14950 1.0018     -0.14923
+#&gt;  ds 5 parent  120      9.0  7.915e+00  -1.08476 0.8315     -1.30462
+#&gt;  ds 5 parent  120      8.1  7.915e+00  -0.18476 0.8315     -0.22220
+#&gt;  ds 5     m1    0      0.7  0.000e+00  -0.70000 0.6572     -1.06507
+#&gt;  ds 5     m1    1      3.0  3.062e+00   0.06170 0.6861      0.08992
+#&gt;  ds 5     m1    1      2.6  3.062e+00   0.46170 0.6861      0.67290
+#&gt;  ds 5     m1    3      5.1  8.209e+00   3.10938 0.8432      3.68760
+#&gt;  ds 5     m1    3      7.5  8.209e+00   0.70938 0.8432      0.84130
+#&gt;  ds 5     m1    7     16.5  1.544e+01  -1.05567 1.1914     -0.88605
+#&gt;  ds 5     m1    7     19.0  1.544e+01  -3.55567 1.1914     -2.98436
+#&gt;  ds 5     m1   14     22.9  2.181e+01  -1.08765 1.5498     -0.70181
+#&gt;  ds 5     m1   14     23.2  2.181e+01  -1.38765 1.5498     -0.89539
+#&gt;  ds 5     m1   28     22.2  2.404e+01   1.83624 1.6805      1.09270
+#&gt;  ds 5     m1   28     24.4  2.404e+01  -0.36376 1.6805     -0.21647
+#&gt;  ds 5     m1   60     15.5  1.875e+01   3.25390 1.3741      2.36805
+#&gt;  ds 5     m1   60     19.8  1.875e+01  -1.04610 1.3741     -0.76131
+#&gt;  ds 5     m1   90     14.9  1.380e+01  -1.09507 1.1050     -0.99102
+#&gt;  ds 5     m1   90     14.2  1.380e+01  -0.39507 1.1050     -0.35753
+#&gt;  ds 5     m1  120     10.9  1.002e+01  -0.88429 0.9205     -0.96069
+#&gt;  ds 5     m1  120     10.4  1.002e+01  -0.38429 0.9205     -0.41749</div><div class='input'><span class='co'># }</span>
 
 </div></pre>
   </div>
diff --git a/docs/dev/reference/transform_odeparms.html b/docs/dev/reference/transform_odeparms.html
index 46b66073..6e19505f 100644
--- a/docs/dev/reference/transform_odeparms.html
+++ b/docs/dev/reference/transform_odeparms.html
@@ -77,7 +77,7 @@ the ilr transformation is used." />
       </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">1.0.1.9000</span>
       </span>
     </div>
 
@@ -126,7 +126,7 @@ the ilr transformation is used." />
       <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>
@@ -231,50 +231,64 @@ This is no problem for the internal use in <a href='mkinfit.html'>mkinfit</a>.</
     <pre class="examples"><div class='input'>
 <span class='va'>SFO_SFO</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>
   parent <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>type <span class='op'>=</span> <span class='st'>"SFO"</span>, to <span class='op'>=</span> <span class='st'>"m1"</span>, sink <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>,
-  m1 <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>type <span class='op'>=</span> <span class='st'>"SFO"</span><span class='op'>)</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='message'>Temporary DLL for differentials generated and loaded</span></div><div class='input'><span class='co'># Fit the model to the FOCUS example dataset D using defaults</span>
-<span class='va'>fit</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO</span>, <span class='va'>FOCUS_2006_D</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><span class='va'>fit.s</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>fit</span><span class='op'>)</span>
+  m1 <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>type <span class='op'>=</span> <span class='st'>"SFO"</span><span class='op'>)</span>, use_of_ff <span class='op'>=</span> <span class='st'>"min"</span><span class='op'>)</span>
+</div><div class='output co'>#&gt; <span class='message'>Temporary DLL for differentials generated and loaded</span></div><div class='input'>
+<span class='co'># Fit the model to the FOCUS example dataset D using defaults</span>
+<span class='va'>FOCUS_D</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/saemix/man/subset.html'>subset</a></span><span class='op'>(</span><span class='va'>FOCUS_2006_D</span>, <span class='va'>value</span> <span class='op'>!=</span> <span class='fl'>0</span><span class='op'>)</span> <span class='co'># remove zero values to avoid warning</span>
+<span class='va'>fit</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO</span>, <span class='va'>FOCUS_D</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
+<span class='va'>fit.s</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>fit</span><span class='op'>)</span>
 <span class='co'># Transformed and backtransformed parameters</span>
 <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>fit.s</span><span class='op'>$</span><span class='va'>par</span>, <span class='fl'>3</span><span class='op'>)</span>
-</div><div class='output co'>#&gt;                 Estimate Std. Error  Lower  Upper
-#&gt; parent_0         99.5985     1.5702 96.404 102.79
-#&gt; log_k_parent     -2.3157     0.0409 -2.399  -2.23
-#&gt; log_k_m1         -5.2475     0.1332 -5.518  -4.98
-#&gt; f_parent_qlogis   0.0579     0.0893 -0.124   0.24
-#&gt; sigma             3.1255     0.3585  2.396   3.85</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>fit.s</span><span class='op'>$</span><span class='va'>bpar</span>, <span class='fl'>3</span><span class='op'>)</span>
-</div><div class='output co'>#&gt;                Estimate se_notrans t value   Pr(&gt;t)    Lower    Upper
-#&gt; parent_0       99.59848    1.57022   63.43 2.30e-36 96.40383 102.7931
-#&gt; k_parent        0.09870    0.00403   24.47 4.96e-23  0.09082   0.1073
-#&gt; k_m1            0.00526    0.00070    7.51 6.16e-09  0.00401   0.0069
-#&gt; f_parent_to_m1  0.51448    0.02230   23.07 3.10e-22  0.46912   0.5596
-#&gt; sigma           3.12550    0.35852    8.72 2.24e-10  2.39609   3.8549</div><div class='input'>
+</div><div class='output co'>#&gt;                   Estimate Std. Error Lower  Upper
+#&gt; parent_0             99.60     1.5702 96.40 102.79
+#&gt; log_k_parent_sink    -3.04     0.0763 -3.19  -2.88
+#&gt; log_k_parent_m1      -2.98     0.0403 -3.06  -2.90
+#&gt; log_k_m1_sink        -5.25     0.1332 -5.52  -4.98
+#&gt; sigma                 3.13     0.3585  2.40   3.85</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>fit.s</span><span class='op'>$</span><span class='va'>bpar</span>, <span class='fl'>3</span><span class='op'>)</span>
+</div><div class='output co'>#&gt;               Estimate se_notrans t value   Pr(&gt;t)    Lower    Upper
+#&gt; parent_0      99.59848    1.57022   63.43 2.30e-36 96.40384 102.7931
+#&gt; k_parent_sink  0.04792    0.00365   13.11 6.13e-15  0.04103   0.0560
+#&gt; k_parent_m1    0.05078    0.00205   24.80 3.27e-23  0.04678   0.0551
+#&gt; k_m1_sink      0.00526    0.00070    7.51 6.16e-09  0.00401   0.0069
+#&gt; sigma          3.12550    0.35852    8.72 2.24e-10  2.39609   3.8549</div><div class='input'>
 <span class='co'># \dontrun{</span>
-<span class='co'># Compare to the version without transforming rate parameters</span>
-<span class='va'>fit.2</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO</span>, <span class='va'>FOCUS_2006_D</span>, transform_rates <span class='op'>=</span> <span class='cn'>FALSE</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='output co'>#&gt; <span class='error'>Error in if (cost &lt; cost.current) {    assign("cost.current", cost, inherits = TRUE)    if (!quiet)         cat(ifelse(OLS, "Sum of squared residuals", "Negative log-likelihood"),             " at call ", calls, ": ", signif(cost.current, 6),             "\n", sep = "")}: missing value where TRUE/FALSE needed</span></div><div class='output co'>#&gt; <span class='message'>Timing stopped at: 0.006 0 0.005</span></div><div class='input'><span class='va'>fit.2.s</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>fit.2</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='error'>Error in h(simpleError(msg, call)): error in evaluating the argument 'object' in selecting a method for function 'summary': object 'fit.2' not found</span></div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>fit.2.s</span><span class='op'>$</span><span class='va'>par</span>, <span class='fl'>3</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='error'>Error in h(simpleError(msg, call)): error in evaluating the argument 'x' in selecting a method for function 'print': object 'fit.2.s' not found</span></div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>fit.2.s</span><span class='op'>$</span><span class='va'>bpar</span>, <span class='fl'>3</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='error'>Error in h(simpleError(msg, call)): error in evaluating the argument 'x' in selecting a method for function 'print': object 'fit.2.s' not found</span></div><div class='input'><span class='co'># }</span>
+<span class='co'># Compare to the version without transforming rate parameters (does not work</span>
+<span class='co'># with analytical solution, we get NA values for m1 in predictions)</span>
+<span class='va'>fit.2</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO</span>, <span class='va'>FOCUS_D</span>, transform_rates <span class='op'>=</span> <span class='cn'>FALSE</span>,
+  solution_type <span class='op'>=</span> <span class='st'>"deSolve"</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
+<span class='va'>fit.2.s</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>fit.2</span><span class='op'>)</span>
+<span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>fit.2.s</span><span class='op'>$</span><span class='va'>par</span>, <span class='fl'>3</span><span class='op'>)</span>
+</div><div class='output co'>#&gt;               Estimate Std. Error    Lower    Upper
+#&gt; parent_0      99.59848    1.57022 96.40384 1.03e+02
+#&gt; k_parent_sink  0.04792    0.00365  0.04049 5.54e-02
+#&gt; k_parent_m1    0.05078    0.00205  0.04661 5.49e-02
+#&gt; k_m1_sink      0.00526    0.00070  0.00384 6.69e-03
+#&gt; sigma          3.12550    0.35852  2.39609 3.85e+00</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>fit.2.s</span><span class='op'>$</span><span class='va'>bpar</span>, <span class='fl'>3</span><span class='op'>)</span>
+</div><div class='output co'>#&gt;               Estimate se_notrans t value   Pr(&gt;t)    Lower    Upper
+#&gt; parent_0      99.59848    1.57022   63.43 2.30e-36 96.40384 1.03e+02
+#&gt; k_parent_sink  0.04792    0.00365   13.11 6.13e-15  0.04049 5.54e-02
+#&gt; k_parent_m1    0.05078    0.00205   24.80 3.27e-23  0.04661 5.49e-02
+#&gt; k_m1_sink      0.00526    0.00070    7.51 6.16e-09  0.00384 6.69e-03
+#&gt; sigma          3.12550    0.35852    8.72 2.24e-10  2.39609 3.85e+00</div><div class='input'><span class='co'># }</span>
 
 <span class='va'>initials</span> <span class='op'>&lt;-</span> <span class='va'>fit</span><span class='op'>$</span><span class='va'>start</span><span class='op'>$</span><span class='va'>value</span>
 <span class='fu'><a href='https://rdrr.io/r/base/names.html'>names</a></span><span class='op'>(</span><span class='va'>initials</span><span class='op'>)</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/base/colnames.html'>rownames</a></span><span class='op'>(</span><span class='va'>fit</span><span class='op'>$</span><span class='va'>start</span><span class='op'>)</span>
 <span class='va'>transformed</span> <span class='op'>&lt;-</span> <span class='va'>fit</span><span class='op'>$</span><span class='va'>start_transformed</span><span class='op'>$</span><span class='va'>value</span>
 <span class='fu'><a href='https://rdrr.io/r/base/names.html'>names</a></span><span class='op'>(</span><span class='va'>transformed</span><span class='op'>)</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/base/colnames.html'>rownames</a></span><span class='op'>(</span><span class='va'>fit</span><span class='op'>$</span><span class='va'>start_transformed</span><span class='op'>)</span>
 <span class='fu'>transform_odeparms</span><span class='op'>(</span><span class='va'>initials</span>, <span class='va'>SFO_SFO</span><span class='op'>)</span>
-</div><div class='output co'>#&gt;        parent_0    log_k_parent        log_k_m1 f_parent_qlogis 
-#&gt;      100.750000       -2.302585       -2.301586        0.000000 </div><div class='input'><span class='fu'>backtransform_odeparms</span><span class='op'>(</span><span class='va'>transformed</span>, <span class='va'>SFO_SFO</span><span class='op'>)</span>
-</div><div class='output co'>#&gt;       parent_0       k_parent           k_m1 f_parent_to_m1 
-#&gt;       100.7500         0.1000         0.1001         0.5000 </div><div class='input'>
+</div><div class='output co'>#&gt;          parent_0 log_k_parent_sink   log_k_parent_m1     log_k_m1_sink 
+#&gt;        100.750000         -2.302585         -2.301586         -2.300587 </div><div class='input'><span class='fu'>backtransform_odeparms</span><span class='op'>(</span><span class='va'>transformed</span>, <span class='va'>SFO_SFO</span><span class='op'>)</span>
+</div><div class='output co'>#&gt;      parent_0 k_parent_sink   k_parent_m1     k_m1_sink 
+#&gt;      100.7500        0.1000        0.1001        0.1002 </div><div class='input'>
 <span class='co'># \dontrun{</span>
-<span class='co'># The case of formation fractions</span>
+<span class='co'># The case of formation fractions (this is now the default)</span>
 <span class='va'>SFO_SFO.ff</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>
   parent <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>type <span class='op'>=</span> <span class='st'>"SFO"</span>, to <span class='op'>=</span> <span class='st'>"m1"</span>, sink <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>,
   m1 <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>type <span class='op'>=</span> <span class='st'>"SFO"</span><span class='op'>)</span>,
   use_of_ff <span class='op'>=</span> <span class='st'>"max"</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; <span class='message'>Temporary DLL for differentials generated and loaded</span></div><div class='input'>
-<span class='va'>fit.ff</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO.ff</span>, <span class='va'>FOCUS_2006_D</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><span class='va'>fit.ff.s</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>fit.ff</span><span class='op'>)</span>
+<span class='va'>fit.ff</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO.ff</span>, <span class='va'>FOCUS_D</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
+<span class='va'>fit.ff.s</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>fit.ff</span><span class='op'>)</span>
 <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>fit.ff.s</span><span class='op'>$</span><span class='va'>par</span>, <span class='fl'>3</span><span class='op'>)</span>
 </div><div class='output co'>#&gt;                 Estimate Std. Error  Lower  Upper
 #&gt; parent_0         99.5985     1.5702 96.404 102.79
@@ -299,8 +313,8 @@ This is no problem for the internal use in <a href='mkinfit.html'>mkinfit</a>.</
   use_of_ff <span class='op'>=</span> <span class='st'>"max"</span><span class='op'>)</span>
 </div><div class='output co'>#&gt; <span class='message'>Temporary DLL for differentials generated and loaded</span></div><div class='input'>
 
-<span class='va'>fit.ff.2</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO.ff.2</span>, <span class='va'>FOCUS_2006_D</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
-</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><span class='va'>fit.ff.2.s</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>fit.ff.2</span><span class='op'>)</span>
+<span class='va'>fit.ff.2</span> <span class='op'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO.ff.2</span>, <span class='va'>FOCUS_D</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span>
+<span class='va'>fit.ff.2.s</span> <span class='op'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>fit.ff.2</span><span class='op'>)</span>
 <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>fit.ff.2.s</span><span class='op'>$</span><span class='va'>par</span>, <span class='fl'>3</span><span class='op'>)</span>
 </div><div class='output co'>#&gt;              Estimate Std. Error Lower Upper
 #&gt; parent_0        84.79      3.012 78.67 90.91
diff --git a/docs/dev/sitemap.xml b/docs/dev/sitemap.xml
index ecf68e50..27f0e392 100644
--- a/docs/dev/sitemap.xml
+++ b/docs/dev/sitemap.xml
@@ -175,9 +175,6 @@
     <loc>https://pkgdown.jrwb.de/mkin/reference/plot.nafta.html</loc>
   </url>
   <url>
-    <loc>https://pkgdown.jrwb.de/mkin/reference/print.mmkin.html</loc>
-  </url>
-  <url>
     <loc>https://pkgdown.jrwb.de/mkin/reference/reexports.html</loc>
   </url>
   <url>
diff --git a/man/endpoints.Rd b/man/endpoints.Rd
index 0b225e62..72487717 100644
--- a/man/endpoints.Rd
+++ b/man/endpoints.Rd
@@ -8,8 +8,8 @@ with mkinfit}
 endpoints(fit)
 }
 \arguments{
-\item{fit}{An object of class \link{mkinfit} or \link{nlme.mmkin}
-or another object that has list components
+\item{fit}{An object of class \link{mkinfit}, \link{nlme.mmkin} or
+\link{saem.mmkin}. Or another object that has list components
 mkinmod containing an \link{mkinmod} degradation model, and two numeric vectors,
 bparms.optim and bparms.fixed, that contain parameter values
 for that model.}
@@ -32,8 +32,8 @@ Additional DT50 values are calculated from the FOMC DT90 and k1 and k2 from
 HS and DFOP, as well as from Eigenvalues b1 and b2 of any SFORB models
 }
 \note{
-The function is used internally by \link{summary.mkinfit}
-and \link{summary.nlme.mmkin}
+The function is used internally by \link{summary.mkinfit},
+\link{summary.nlme.mmkin} and \link{summary.saem.mmkin}.
 }
 \examples{
 
diff --git a/man/plot.mixed.mmkin.Rd b/man/plot.mixed.mmkin.Rd
index 87a82286..b1200729 100644
--- a/man/plot.mixed.mmkin.Rd
+++ b/man/plot.mixed.mmkin.Rd
@@ -27,7 +27,7 @@
 )
 }
 \arguments{
-\item{x}{An object of class \link{mixed.mmkin}, \link{nlme.mmkin}}
+\item{x}{An object of class \link{mixed.mmkin}, \link{saem.mmkin} or \link{nlme.mmkin}}
 
 \item{i}{A numeric index to select datasets for which to plot the individual predictions,
 in case plots get too large}
@@ -94,6 +94,15 @@ plot(f[, 3:4], standardized = TRUE)
 f_nlme <- nlme(f, control = list(pnlsMaxIter = 120, tolerance = 1e-3))
 plot(f_nlme)
 
+f_saem <- saem(f, transformations = "saemix")
+plot(f_saem)
+
+# We can overlay the two variants if we generate predictions
+pred_nlme <- mkinpredict(dfop_sfo,
+  f_nlme$bparms.optim[-1],
+  c(parent = f_nlme$bparms.optim[[1]], A1 = 0),
+  seq(0, 180, by = 0.2))
+plot(f_saem, pred_over = list(nlme = pred_nlme))
 }
 }
 \author{
diff --git a/man/saem.Rd b/man/saem.Rd
new file mode 100644
index 00000000..d5a8f17e
--- /dev/null
+++ b/man/saem.Rd
@@ -0,0 +1,155 @@
+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/saem.R
+\name{saem}
+\alias{saem}
+\alias{saem.mmkin}
+\alias{print.saem.mmkin}
+\alias{saemix_model}
+\alias{saemix_data}
+\title{Fit nonlinear mixed models with SAEM}
+\usage{
+saem(object, ...)
+
+\method{saem}{mmkin}(
+  object,
+  transformations = c("mkin", "saemix"),
+  degparms_start = numeric(),
+  solution_type = "auto",
+  control = list(displayProgress = FALSE, print = FALSE, save = FALSE, save.graphs =
+    FALSE),
+  verbose = FALSE,
+  quiet = FALSE,
+  ...
+)
+
+\method{print}{saem.mmkin}(x, digits = max(3, getOption("digits") - 3), ...)
+
+saemix_model(
+  object,
+  solution_type = "auto",
+  transformations = c("mkin", "saemix"),
+  degparms_start = numeric(),
+  verbose = FALSE,
+  ...
+)
+
+saemix_data(object, verbose = FALSE, ...)
+}
+\arguments{
+\item{object}{An \link{mmkin} row object containing several fits of the same
+\link{mkinmod} model to different datasets}
+
+\item{\dots}{Further parameters passed to \link[saemix:saemixModel]{saemix::saemixModel}.}
+
+\item{transformations}{Per default, all parameter transformations are done
+in mkin. If this argument is set to 'saemix', parameter transformations
+are done in 'saemix' for the supported cases. Currently this is only
+supported in cases where the initial concentration of the parent is not fixed,
+SFO or DFOP is used for the parent and there is either no metabolite or one.}
+
+\item{degparms_start}{Parameter values given as a named numeric vector will
+be used to override the starting values obtained from the 'mmkin' object.}
+
+\item{solution_type}{Possibility to specify the solution type in case the
+automatic choice is not desired}
+
+\item{control}{Passed to \link[saemix:saemix]{saemix::saemix}}
+
+\item{verbose}{Should we print information about created objects of
+type \link[saemix:SaemixModel-class]{saemix::SaemixModel} and \link[saemix:SaemixData-class]{saemix::SaemixData}?}
+
+\item{quiet}{Should we suppress the messages saemix prints at the beginning
+and the end of the optimisation process?}
+
+\item{x}{An saem.mmkin object to print}
+
+\item{digits}{Number of digits to use for printing}
+}
+\value{
+An S3 object of class 'saem.mmkin', containing the fitted
+\link[saemix:SaemixObject-class]{saemix::SaemixObject} as a list component named 'so'. The
+object also inherits from 'mixed.mmkin'.
+
+An \link[saemix:SaemixModel-class]{saemix::SaemixModel} object.
+
+An \link[saemix:SaemixData-class]{saemix::SaemixData} object.
+}
+\description{
+This function uses \code{\link[saemix:saemix]{saemix::saemix()}} as a backend for fitting nonlinear mixed
+effects models created from \link{mmkin} row objects using the Stochastic Approximation
+Expectation Maximisation algorithm (SAEM).
+}
+\details{
+An mmkin row object is essentially a list of mkinfit objects that have been
+obtained by fitting the same model to a list of datasets using \link{mkinfit}.
+
+Starting values for the fixed effects (population mean parameters, argument
+psi0 of \code{\link[saemix:saemixModel]{saemix::saemixModel()}} are the mean values of the parameters found
+using \link{mmkin}.
+}
+\examples{
+\dontrun{
+ds <- lapply(experimental_data_for_UBA_2019[6:10],
+ function(x) subset(x$data[c("name", "time", "value")]))
+names(ds) <- paste("Dataset", 6:10)
+f_mmkin_parent_p0_fixed <- mmkin("FOMC", ds,
+  state.ini = c(parent = 100), fixed_initials = "parent", quiet = TRUE)
+f_saem_p0_fixed <- saem(f_mmkin_parent_p0_fixed)
+
+f_mmkin_parent <- mmkin(c("SFO", "FOMC", "DFOP"), ds, quiet = TRUE)
+f_saem_sfo <- saem(f_mmkin_parent["SFO", ])
+f_saem_fomc <- saem(f_mmkin_parent["FOMC", ])
+f_saem_dfop <- saem(f_mmkin_parent["DFOP", ])
+
+# The returned saem.mmkin object contains an SaemixObject, therefore we can use
+# functions from saemix
+library(saemix)
+compare.saemix(list(f_saem_sfo$so, f_saem_fomc$so, f_saem_dfop$so))
+plot(f_saem_fomc$so, plot.type = "convergence")
+plot(f_saem_fomc$so, plot.type = "individual.fit")
+plot(f_saem_fomc$so, plot.type = "npde")
+plot(f_saem_fomc$so, plot.type = "vpc")
+
+f_mmkin_parent_tc <- update(f_mmkin_parent, error_model = "tc")
+f_saem_fomc_tc <- saem(f_mmkin_parent_tc["FOMC", ])
+compare.saemix(list(f_saem_fomc$so, f_saem_fomc_tc$so))
+
+sfo_sfo <- mkinmod(parent = mkinsub("SFO", "A1"),
+  A1 = mkinsub("SFO"))
+fomc_sfo <- mkinmod(parent = mkinsub("FOMC", "A1"),
+  A1 = mkinsub("SFO"))
+dfop_sfo <- mkinmod(parent = mkinsub("DFOP", "A1"),
+  A1 = mkinsub("SFO"))
+# The following fit uses analytical solutions for SFO-SFO and DFOP-SFO,
+# and compiled ODEs for FOMC that are much slower
+f_mmkin <- mmkin(list(
+    "SFO-SFO" = sfo_sfo, "FOMC-SFO" = fomc_sfo, "DFOP-SFO" = dfop_sfo),
+  ds, quiet = TRUE)
+# saem fits of SFO-SFO and DFOP-SFO to these data take about five seconds
+# each on this system, as we use analytical solutions written for saemix.
+# When using the analytical solutions written for mkin this took around
+# four minutes
+f_saem_sfo_sfo <- saem(f_mmkin["SFO-SFO", ])
+f_saem_dfop_sfo <- saem(f_mmkin["DFOP-SFO", ])
+# We can use print, plot and summary methods to check the results
+print(f_saem_dfop_sfo)
+plot(f_saem_dfop_sfo)
+summary(f_saem_dfop_sfo, data = TRUE)
+
+# The following takes about 6 minutes
+#f_saem_dfop_sfo_deSolve <- saem(f_mmkin["DFOP-SFO", ], solution_type = "deSolve",
+#  control = list(nbiter.saemix = c(200, 80), nbdisplay = 10))
+
+#saemix::compare.saemix(list(
+#  f_saem_dfop_sfo$so,
+#  f_saem_dfop_sfo_deSolve$so))
+
+# If the model supports it, we can also use eigenvalue based solutions, which
+# take a similar amount of time
+#f_saem_sfo_sfo_eigen <- saem(f_mmkin["SFO-SFO", ], solution_type = "eigen",
+#  control = list(nbiter.saemix = c(200, 80), nbdisplay = 10))
+}
+}
+\seealso{
+\link{summary.saem.mmkin} \link{plot.mixed.mmkin}
+}
diff --git a/man/summary.saem.mmkin.Rd b/man/summary.saem.mmkin.Rd
new file mode 100644
index 00000000..67cb3cbb
--- /dev/null
+++ b/man/summary.saem.mmkin.Rd
@@ -0,0 +1,100 @@
+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/summary.saem.mmkin.R
+\name{summary.saem.mmkin}
+\alias{summary.saem.mmkin}
+\alias{print.summary.saem.mmkin}
+\title{Summary method for class "saem.mmkin"}
+\usage{
+\method{summary}{saem.mmkin}(object, data = FALSE, verbose = FALSE, distimes = TRUE, ...)
+
+\method{print}{summary.saem.mmkin}(x, digits = max(3, getOption("digits") - 3), verbose = x$verbose, ...)
+}
+\arguments{
+\item{object}{an object of class \link{saem.mmkin}}
+
+\item{data}{logical, indicating whether the full data should be included in
+the summary.}
+
+\item{verbose}{Should the summary be verbose?}
+
+\item{distimes}{logical, indicating whether DT50 and DT90 values should be
+included.}
+
+\item{\dots}{optional arguments passed to methods like \code{print}.}
+
+\item{x}{an object of class \link{summary.saem.mmkin}}
+
+\item{digits}{Number of digits to use for printing}
+}
+\value{
+The summary function returns a list based on the \link[saemix:SaemixObject-class]{saemix::SaemixObject}
+obtained in the fit, with at least the following additional components
+\item{saemixversion, mkinversion, Rversion}{The saemix, mkin and R versions used}
+\item{date.fit, date.summary}{The dates where the fit and the summary were
+produced}
+\item{diffs}{The differential equations used in the degradation model}
+\item{use_of_ff}{Was maximum or minimum use made of formation fractions}
+\item{data}{The data}
+\item{confint_trans}{Transformed parameters as used in the optimisation, with confidence intervals}
+\item{confint_back}{Backtransformed parameters, with confidence intervals if available}
+\item{confint_errmod}{Error model parameters with confidence intervals}
+\item{ff}{The estimated formation fractions derived from the fitted
+model.}
+\item{distimes}{The DT50 and DT90 values for each observed variable.}
+\item{SFORB}{If applicable, eigenvalues of SFORB components of the model.}
+The print method is called for its side effect, i.e. printing the summary.
+}
+\description{
+Lists model equations, initial parameter values, optimised parameters
+for fixed effects (population), random effects (deviations from the
+population mean) and residual error model, as well as the resulting
+endpoints such as formation fractions and DT50 values. Optionally
+(default is FALSE), the data are listed in full.
+}
+\examples{
+# Generate five datasets following DFOP-SFO kinetics
+sampling_times = c(0, 1, 3, 7, 14, 28, 60, 90, 120)
+dfop_sfo <- mkinmod(parent = mkinsub("DFOP", "m1"),
+ m1 = mkinsub("SFO"), quiet = TRUE)
+set.seed(1234)
+k1_in <- rlnorm(5, log(0.1), 0.3)
+k2_in <- rlnorm(5, log(0.02), 0.3)
+g_in <- plogis(rnorm(5, qlogis(0.5), 0.3))
+f_parent_to_m1_in <- plogis(rnorm(5, qlogis(0.3), 0.3))
+k_m1_in <- rlnorm(5, log(0.02), 0.3)
+
+pred_dfop_sfo <- function(k1, k2, g, f_parent_to_m1, k_m1) {
+  mkinpredict(dfop_sfo,
+    c(k1 = k1, k2 = k2, g = g, f_parent_to_m1 = f_parent_to_m1, k_m1 = k_m1),
+    c(parent = 100, m1 = 0),
+    sampling_times)
+}
+
+ds_mean_dfop_sfo <- lapply(1:5, function(i) {
+  mkinpredict(dfop_sfo,
+    c(k1 = k1_in[i], k2 = k2_in[i], g = g_in[i],
+      f_parent_to_m1 = f_parent_to_m1_in[i], k_m1 = k_m1_in[i]),
+    c(parent = 100, m1 = 0),
+    sampling_times)
+})
+names(ds_mean_dfop_sfo) <- paste("ds", 1:5)
+
+ds_syn_dfop_sfo <- lapply(ds_mean_dfop_sfo, function(ds) {
+  add_err(ds,
+    sdfunc = function(value) sqrt(1^2 + value^2 * 0.07^2),
+    n = 1)[[1]]
+})
+
+\dontrun{
+# Evaluate using mmkin and saem
+f_mmkin_dfop_sfo <- mmkin(list(dfop_sfo), ds_syn_dfop_sfo,
+  quiet = TRUE, error_model = "tc", cores = 5)
+f_saem_dfop_sfo <- saem(f_mmkin_dfop_sfo)
+summary(f_saem_dfop_sfo, data = TRUE)
+}
+
+}
+\author{
+Johannes Ranke for the mkin specific parts
+saemix authors for the parts inherited from saemix.
+}
diff --git a/test.log b/test.log
index d609022b..7e1fe957 100644
--- a/test.log
+++ b/test.log
@@ -6,32 +6,39 @@ Testing mkin
 ✔ |   2       | Export dataset for reading into CAKE
 ✔ |  14       | Results for FOCUS D established in expertise for UBA (Ranke 2014) [1.0 s]
 ✔ |   4       | Calculation of FOCUS chi2 error levels [0.5 s]
-✔ |   7       | Fitting the SFORB model [3.4 s]
-✔ |   5       | Analytical solutions for coupled models [3.3 s]
+✔ |   7       | Fitting the SFORB model [3.5 s]
+✔ |   5       | Analytical solutions for coupled models [3.2 s]
 ✔ |   5       | Calculation of Akaike weights
 ✔ |  12       | Confidence intervals and p-values [1.0 s]
-✔ |  14       | Error model fitting [4.2 s]
+✔ |  14       | Error model fitting [4.4 s]
 ✔ |   5       | Time step normalisation
 ✔ |   4       | Test fitting the decline of metabolites from their maximum [0.3 s]
 ✔ |   1       | Fitting the logistic model [0.2 s]
-✔ |   5       | Nonlinear mixed-effects models [0.1 s]
+✔ |  34     1 | Nonlinear mixed-effects models [25.9 s]
+────────────────────────────────────────────────────────────────────────────────
+Skip (test_mixed.R:150:3): saem results are reproducible for biphasic fits
+Reason: Fitting with saemix takes around 10 minutes when using deSolve
+────────────────────────────────────────────────────────────────────────────────
 ✔ |   2       | Test dataset classes mkinds and mkindsg
 ✔ |   1       | mkinfit features [0.3 s]
 ✔ |  10       | Special cases of mkinfit calls [0.3 s]
 ✔ |   8       | mkinmod model generation and printing [0.2 s]
 ✔ |   3       | Model predictions with mkinpredict [0.3 s]
 ✔ |  16       | Evaluations according to 2015 NAFTA guidance [1.6 s]
-✔ |   9       | Nonlinear mixed-effects models [8.0 s]
-✔ |  14       | Plotting [1.7 s]
+✔ |   9       | Nonlinear mixed-effects models [8.1 s]
+✔ |  16       | Plotting [1.9 s]
 ✔ |   4       | Residuals extracted from mkinfit models
 ✔ |   2       | Complex test case from Schaefer et al. (2007) Piacenza paper [1.5 s]
 ✔ |   4       | Summary [0.1 s]
 ✔ |   1       | Summaries of old mkinfit objects
 ✔ |   4       | Results for synthetic data established in expertise for UBA (Ranke 2014) [2.2 s]
-✔ |   9       | Hypothesis tests [8.1 s]
-✔ |   4       | Calculation of maximum time weighted average concentrations (TWAs) [2.6 s]
+✔ |   9       | Hypothesis tests [8.3 s]
+✔ |   4       | Calculation of maximum time weighted average concentrations (TWAs) [2.5 s]
 
 ══ Results ═════════════════════════════════════════════════════════════════════
-Duration: 41.3 s
+Duration: 67.9 s
 
-[ FAIL 0 | WARN 0 | SKIP 0 | PASS 174 ]
+── Skipped tests  ──────────────────────────────────────────────────────────────
+● Fitting with saemix takes around 10 minutes when using deSolve (1)
+
+[ FAIL 0 | WARN 0 | SKIP 1 | PASS 205 ]
diff --git a/tests/figs/plotting/mixed-model-fit-for-saem-object-with-mkin-transformations.svg b/tests/figs/plotting/mixed-model-fit-for-saem-object-with-mkin-transformations.svg
index ce93625d..0c2992d5 100644
--- a/tests/figs/plotting/mixed-model-fit-for-saem-object-with-mkin-transformations.svg
+++ b/tests/figs/plotting/mixed-model-fit-for-saem-object-with-mkin-transformations.svg
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diff --git a/tests/testthat/setup_script.R b/tests/testthat/setup_script.R
index 547b2d6c..9229c198 100644
--- a/tests/testthat/setup_script.R
+++ b/tests/testthat/setup_script.R
@@ -178,6 +178,10 @@ ds_biphasic <- lapply(ds_biphasic_mean, function(ds) {
 })
 
 # Mixed model fits
+saemix_available <- FALSE
+if (requireNamespace("saemix", quietly = TRUE)) {
+  if(packageVersion("saemix") >= "3.1.9000") saemix_available <- TRUE
+}
 mmkin_sfo_1 <- mmkin("SFO", ds_sfo, quiet = TRUE, error_model = "tc", cores = n_cores)
 mmkin_dfop_1 <- mmkin("DFOP", ds_dfop, quiet = TRUE, cores = n_cores)
 mmkin_biphasic <- mmkin(list("DFOP-SFO" = DFOP_SFO), ds_biphasic, quiet = TRUE, cores = n_cores)
@@ -186,6 +190,16 @@ mmkin_biphasic_mixed <- mixed(mmkin_biphasic)
 dfop_nlme_1 <- nlme(mmkin_dfop_1)
 nlme_biphasic <- nlme(mmkin_biphasic)
 
+if (saemix_available) {
+  sfo_saem_1 <- saem(mmkin_sfo_1, quiet = TRUE, transformations = "saemix")
+
+  dfop_saemix_1 <- saem(mmkin_dfop_1, quiet = TRUE, transformations = "mkin")
+  dfop_saemix_2 <- saem(mmkin_dfop_1, quiet = TRUE, transformations = "saemix")
+
+  saem_biphasic_m <- saem(mmkin_biphasic, transformations = "mkin", quiet = TRUE)
+  saem_biphasic_s <- saem(mmkin_biphasic, transformations = "saemix", quiet = TRUE)
+}
+
 ds_uba <- lapply(experimental_data_for_UBA_2019[6:10],
   function(x) subset(x$data[c("name", "time", "value")]))
 names(ds_uba) <- paste("Dataset", 6:10)
@@ -197,3 +211,7 @@ f_uba_mmkin <- mmkin(list("SFO-SFO" = sfo_sfo_uba, "DFOP-SFO" = dfop_sfo_uba),
   ds_uba, quiet = TRUE, cores = n_cores)
 f_uba_dfop_sfo_mixed <- mixed(f_uba_mmkin[2, ])
 
+if (saemix_available) {
+  f_uba_sfo_sfo_saem <- saem(f_uba_mmkin["SFO-SFO", ], quiet = TRUE, transformations = "saemix")
+  f_uba_dfop_sfo_saem <- saem(f_uba_mmkin["DFOP-SFO", ], quiet = TRUE, transformations = "saemix")
+}
diff --git a/tests/testthat/summary_saem_biphasic_s.txt b/tests/testthat/summary_saem_biphasic_s.txt
new file mode 100644
index 00000000..1e0f1ccc
--- /dev/null
+++ b/tests/testthat/summary_saem_biphasic_s.txt
@@ -0,0 +1,77 @@
+saemix version used for fitting:      Dummy 0.0 for testing 
+mkin version used for pre-fitting:  Dummy 0.0 for testing 
+R version used for fitting:         Dummy R version for testing 
+Date of fit:     Dummy date for testing 
+Date of summary: Dummy date for testing 
+
+Equations:
+d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
+           time)) / (g * exp(-k1 * time) + (1 - g) * exp(-k2 * time)))
+           * parent
+d_m1/dt = + f_parent_to_m1 * ((k1 * g * exp(-k1 * time) + k2 * (1 - g)
+           * exp(-k2 * time)) / (g * exp(-k1 * time) + (1 - g) *
+           exp(-k2 * time))) * parent - k_m1 * m1
+
+Data:
+509 observations of 2 variable(s) grouped in 15 datasets
+
+Model predictions using solution type analytical 
+
+Fitted in test time 0 s using 300, 100 iterations
+
+Variance model: Constant variance 
+
+Mean of starting values for individual parameters:
+      parent_0           k_m1 f_parent_to_m1             k1             k2 
+       1.0e+02        4.8e-03        4.8e-01        6.8e-02        1.3e-02 
+             g 
+       4.2e-01 
+
+Fixed degradation parameter values:
+None
+
+Results:
+
+Likelihood computed by importance sampling
+   AIC  BIC logLik
+  2645 2654  -1310
+
+Optimised parameters:
+                  est.   lower   upper
+parent_0       1.0e+02  99.627 1.0e+02
+k_m1           4.8e-03   0.004 5.6e-03
+f_parent_to_m1 4.8e-01   0.437 5.2e-01
+k1             6.5e-02   0.051 8.0e-02
+k2             1.2e-02   0.010 1.4e-02
+g              4.3e-01   0.362 5.0e-01
+
+Correlation: 
+               prnt_0 k_m1   f_p__1 k1     k2    
+k_m1           -0.156                            
+f_parent_to_m1 -0.157  0.372                     
+k1              0.159  0.000 -0.029              
+k2              0.074  0.145  0.032  0.332       
+g              -0.072 -0.142 -0.044 -0.422 -0.570
+
+Random effects:
+                  est.  lower upper
+SD.parent_0       1.14  0.251  2.03
+SD.k_m1           0.14 -0.073  0.35
+SD.f_parent_to_m1 0.29  0.176  0.41
+SD.k1             0.36  0.211  0.52
+SD.k2             0.18  0.089  0.27
+SD.g              0.32  0.098  0.53
+
+Variance model:
+    est. lower upper
+a.1  2.7   2.5   2.9
+
+Resulting formation fractions:
+              ff
+parent_m1   0.48
+parent_sink 0.52
+
+Estimated disappearance times:
+       DT50 DT90 DT50back DT50_k1 DT50_k2
+parent   25  145       44      11      58
+m1      145  481       NA      NA      NA
diff --git a/tests/testthat/test_mixed.R b/tests/testthat/test_mixed.R
index 6f28d0c3..0eb1f0d5 100644
--- a/tests/testthat/test_mixed.R
+++ b/tests/testthat/test_mixed.R
@@ -1,9 +1,98 @@
 context("Nonlinear mixed-effects models")
 
+test_that("Parent fits using saemix are correctly implemented", {
+  skip_if(!saemix_available)
+
+  expect_error(saem(fits), "Only row objects")
+  # Some fits were done in the setup script
+  mmkin_sfo_2 <- update(mmkin_sfo_1, fixed_initials = c(parent = 100))
+  expect_error(update(mmkin_sfo_1, models = c("SFOOO")), "Please supply models.*")
+
+  sfo_saem_2 <- saem(mmkin_sfo_1, quiet = TRUE, transformations = "mkin")
+  sfo_saem_3 <- expect_error(saem(mmkin_sfo_2, quiet = TRUE), "at least two parameters")
+  s_sfo_s1 <- summary(sfo_saem_1)
+  s_sfo_s2 <- summary(sfo_saem_2)
+
+  sfo_nlme_1 <- expect_warning(nlme(mmkin_sfo_1), "not converge")
+  s_sfo_n <- summary(sfo_nlme_1)
+
+  # Compare with input
+  expect_equal(round(s_sfo_s2$confint_ranef["SD.log_k_parent", "est."], 1), 0.3)
+  # k_parent is a bit different from input 0.03 here
+  expect_equal(round(s_sfo_s1$confint_back["k_parent", "est."], 3), 0.035)
+  expect_equal(round(s_sfo_s2$confint_back["k_parent", "est."], 3), 0.035)
+
+  # But the result is pretty unanimous between methods
+  expect_equal(round(s_sfo_s1$confint_back["k_parent", "est."], 3),
+    round(s_sfo_s2$confint_back["k_parent", "est."], 3))
+  expect_equal(round(s_sfo_s1$confint_back["k_parent", "est."], 3),
+    round(s_sfo_n$confint_back["k_parent", "est."], 3))
+
+  mmkin_fomc_1 <- mmkin("FOMC", ds_fomc, quiet = TRUE, error_model = "tc", cores = n_cores)
+  fomc_saem_1 <- saem(mmkin_fomc_1, quiet = TRUE)
+  ci_fomc_s1 <- summary(fomc_saem_1)$confint_back
+
+  fomc_pop <- as.numeric(fomc_pop)
+  expect_true(all(ci_fomc_s1[, "lower"] < fomc_pop))
+  expect_true(all(ci_fomc_s1[, "upper"] > fomc_pop))
+
+  mmkin_fomc_2 <- update(mmkin_fomc_1, state.ini = 100, fixed_initials = "parent")
+  fomc_saem_2 <- saem(mmkin_fomc_2, quiet = TRUE, transformations = "mkin")
+  ci_fomc_s2 <- summary(fomc_saem_2)$confint_back
+
+  expect_true(all(ci_fomc_s2[, "lower"] < fomc_pop[2:3]))
+  expect_true(all(ci_fomc_s2[, "upper"] > fomc_pop[2:3]))
+
+  s_dfop_s1 <- summary(dfop_saemix_1)
+  s_dfop_s2 <- summary(dfop_saemix_2)
+  s_dfop_n <- summary(dfop_nlme_1)
+
+  dfop_pop <- as.numeric(dfop_pop)
+  expect_true(all(s_dfop_s1$confint_back[, "lower"] < dfop_pop))
+  expect_true(all(s_dfop_s1$confint_back[, "upper"] > dfop_pop))
+  expect_true(all(s_dfop_s2$confint_back[, "lower"] < dfop_pop))
+  expect_true(all(s_dfop_s2$confint_back[, "upper"] > dfop_pop))
+
+  dfop_mmkin_means_trans <- apply(parms(mmkin_dfop_1, transformed = TRUE), 1, mean)
+  dfop_mmkin_means <- backtransform_odeparms(dfop_mmkin_means_trans, mmkin_dfop_1$mkinmod)
+
+  # We get < 22% deviations by averaging the transformed parameters
+  rel_diff_mmkin <- (dfop_mmkin_means - dfop_pop) / dfop_pop
+  expect_true(all(rel_diff_mmkin < 0.22))
+
+  # We get < 50% deviations with transformations made in mkin
+  rel_diff_1 <- (s_dfop_s1$confint_back[, "est."] - dfop_pop) / dfop_pop
+  expect_true(all(rel_diff_1 < 0.5))
+
+  # We get < 12% deviations with transformations made in saemix
+  rel_diff_2 <- (s_dfop_s2$confint_back[, "est."] - dfop_pop) / dfop_pop
+  expect_true(all(rel_diff_2 < 0.12))
+
+  mmkin_hs_1 <- mmkin("HS", ds_hs, quiet = TRUE, error_model = "const", cores = n_cores)
+  hs_saem_1 <- saem(mmkin_hs_1, quiet = TRUE)
+  ci_hs_s1 <- summary(hs_saem_1)$confint_back
+
+  hs_pop <- as.numeric(hs_pop)
+  # expect_true(all(ci_hs_s1[, "lower"] < hs_pop)) # k1 is overestimated
+  expect_true(all(ci_hs_s1[, "upper"] > hs_pop))
+
+  mmkin_hs_2 <- update(mmkin_hs_1, state.ini = 100, fixed_initials = "parent")
+  hs_saem_2 <- saem(mmkin_hs_2, quiet = TRUE)
+  ci_hs_s2 <- summary(hs_saem_2)$confint_back
+
+  #expect_true(all(ci_hs_s2[, "lower"] < hs_pop[2:4])) # k1 again overestimated
+  expect_true(all(ci_hs_s2[, "upper"] > hs_pop[2:4]))
+
+  # HS would likely benefit from implemenation of transformations = "saemix"
+})
+
 test_that("Print methods work", {
   expect_known_output(print(fits[, 2:3], digits = 2), "print_mmkin_parent.txt")
   expect_known_output(print(mmkin_biphasic_mixed, digits = 2), "print_mmkin_biphasic_mixed.txt")
   expect_known_output(print(nlme_biphasic, digits = 1), "print_nlme_biphasic.txt")
+
+  skip_if(!saemix_available)
+  expect_known_output(print(sfo_saem_1, digits = 1), "print_sfo_saem_1.txt")
 })
 
 test_that("nlme results are reproducible to some degree", {
@@ -20,6 +109,50 @@ test_that("nlme results are reproducible to some degree", {
 
   dfop_sfo_pop <- as.numeric(dfop_sfo_pop)
   ci_dfop_sfo_n <- summary(nlme_biphasic)$confint_back
-  # expect_true(all(ci_dfop_sfo_n[, "lower"] < dfop_sfo_pop)) # k2 is overestimated
+  expect_true(all(ci_dfop_sfo_n[, "lower"] < dfop_sfo_pop))
   expect_true(all(ci_dfop_sfo_n[, "upper"] > dfop_sfo_pop))
 })
+
+test_that("saem results are reproducible for biphasic fits", {
+
+  skip_if(!saemix_available)
+  test_summary <- summary(saem_biphasic_s)
+  test_summary$saemixversion <- "Dummy 0.0 for testing"
+  test_summary$mkinversion <- "Dummy 0.0 for testing"
+  test_summary$Rversion <- "Dummy R version for testing"
+  test_summary$date.fit <- "Dummy date for testing"
+  test_summary$date.summary <- "Dummy date for testing"
+  test_summary$time <- c(elapsed = "test time 0")
+
+  expect_known_output(print(test_summary, digits = 2), "summary_saem_biphasic_s.txt")
+
+  dfop_sfo_pop <- as.numeric(dfop_sfo_pop)
+  no_k1 <- c(1, 2, 3, 5, 6)
+  no_k2 <- c(1, 2, 3, 4, 6)
+  no_k1_k2 <- c(1, 2, 3, 6)
+
+  ci_dfop_sfo_s_s <- summary(saem_biphasic_s)$confint_back
+  # k1 and k2 are overestimated
+  expect_true(all(ci_dfop_sfo_s_s[no_k1_k2, "lower"] < dfop_sfo_pop[no_k1_k2]))
+  expect_true(all(ci_dfop_sfo_s_s[, "upper"] > dfop_sfo_pop))
+
+  # k1 and k2 are not fitted well
+  ci_dfop_sfo_s_m <- summary(saem_biphasic_m)$confint_back
+  expect_true(all(ci_dfop_sfo_s_m[no_k2, "lower"] < dfop_sfo_pop[no_k2]))
+  expect_true(all(ci_dfop_sfo_s_m[no_k1, "upper"] > dfop_sfo_pop[no_k1]))
+
+  # I tried to only do few iterations in routine tests as this is so slow
+  # but then deSolve fails at some point (presumably at the switch between
+  # the two types of iterations)
+  #saem_biphasic_2 <- saem(mmkin_biphasic, solution_type = "deSolve",
+  # control = list(nbiter.saemix = c(10, 5), nbiter.burn = 5), quiet = TRUE)
+
+  skip("Fitting with saemix takes around 10 minutes when using deSolve")
+  saem_biphasic_2 <- saem(mmkin_biphasic, solution_type = "deSolve", quiet = TRUE)
+
+  # As with the analytical solution, k1 and k2 are not fitted well
+  ci_dfop_sfo_s_d <- summary(saem_biphasic_2)$confint_back
+  expect_true(all(ci_dfop_sfo_s_d[no_k2, "lower"] < dfop_sfo_pop[no_k2]))
+  expect_true(all(ci_dfop_sfo_s_d[no_k1, "upper"] > dfop_sfo_pop[no_k1]))
+})
+
diff --git a/tests/testthat/test_plot.R b/tests/testthat/test_plot.R
index 0bf3ee66..1c95d069 100644
--- a/tests/testthat/test_plot.R
+++ b/tests/testthat/test_plot.R
@@ -35,6 +35,11 @@ test_that("Plotting mkinfit, mmkin and mixed model objects is reproducible", {
   plot_biphasic_mmkin <- function() plot(f_uba_dfop_sfo_mixed)
   vdiffr::expect_doppelganger("mixed model fit for mmkin object", plot_biphasic_mmkin)
 
+  if (saemix_available) {
+    plot_biphasic_saem_s <- function() plot(f_uba_dfop_sfo_saem)
+    vdiffr::expect_doppelganger("mixed model fit for saem object with saemix transformations", plot_biphasic_saem_s)
+  }
+
   skip_on_travis()
 
   plot_biphasic_nlme <- function() plot(dfop_nlme_1)
@@ -43,6 +48,12 @@ test_that("Plotting mkinfit, mmkin and mixed model objects is reproducible", {
   #plot_biphasic_mmkin <- function() plot(mixed(mmkin_biphasic))
   # Biphasic fits with lots of data and fits have lots of potential for differences
   plot_biphasic_nlme <- function() plot(nlme_biphasic)
+  if (saemix_available) {
+    #plot_biphasic_saem_s <- function() plot(saem_biphasic_s)
+    plot_biphasic_saem_m <- function() plot(saem_biphasic_m)
+
+    vdiffr::expect_doppelganger("mixed model fit for saem object with mkin transformations", plot_biphasic_saem_m)
+  }
 
   # different results when working with eigenvalues
   plot_errmod_fit_D_obs_eigen <- function() plot_err(fit_D_obs_eigen, sep_obs = FALSE)
author	Johannes Ranke <jranke@uni-bremen.de>	2021-02-06 18:30:32 +0100
committer	Johannes Ranke <jranke@uni-bremen.de>	2021-02-06 18:30:32 +0100
commit	48c463680b51fa767b4cd7bd62865f192d0354ac (patch)
tree	5b66eb08a7fd5e29fb7e6d3a9a8258ccdcaea73e
parent	2ee20b257e34210e2d1f044431f3bfe059c9c5e7 (diff)