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diff --git a/man/memkin.Rd b/man/memkin.Rd new file mode 100644 index 00000000..8ae6100a --- /dev/null +++ b/man/memkin.Rd @@ -0,0 +1,84 @@ +% Generated by roxygen2: do not edit by hand +% Please edit documentation in R/memkin.R +\name{memkin} +\alias{memkin} +\title{Estimation of parameter distributions from mmkin row objects} +\usage{ +memkin(object, random_spec = "auto", ...) +} +\arguments{ +\item{object}{An mmkin row object containing several fits of the same model to different datasets} + +\item{random_spec}{Either "auto" or a specification of random effects for \code{\link{nlme}} +given as a character vector} + +\item{...}{Additional arguments passed to \code{\link{nlme}}} +} +\value{ +An nlme object +} +\description{ +This function sets up and attempts to fit a mixed effects model to +an mmkin row object which is essentially a list of mkinfit objects +that have been obtained by fitting the same model to a list of +datasets. +} +\examples{ +sampling_times = c(0, 1, 3, 7, 14, 28, 60, 90, 120) +m_SFO <- mkinmod(parent = mkinsub("SFO")) +d_SFO_1 <- mkinpredict(m_SFO, + c(k_parent_sink = 0.1), + c(parent = 98), sampling_times) +d_SFO_1_long <- mkin_wide_to_long(d_SFO_1, time = "time") +d_SFO_2 <- mkinpredict(m_SFO, + c(k_parent_sink = 0.05), + c(parent = 102), sampling_times) +d_SFO_2_long <- mkin_wide_to_long(d_SFO_2, time = "time") +d_SFO_3 <- mkinpredict(m_SFO, + c(k_parent_sink = 0.02), + c(parent = 103), sampling_times) +d_SFO_3_long <- mkin_wide_to_long(d_SFO_3, time = "time") + +d1 <- add_err(d_SFO_1, function(value) 3, n = 1) +d2 <- add_err(d_SFO_2, function(value) 2, n = 1) +d3 <- add_err(d_SFO_3, function(value) 4, n = 1) +ds <- c(d1 = d1, d2 = d2, d3 = d3) + +f <- mmkin("SFO", ds) +x <- memkin(f) +summary(x) + +ds_2 <- lapply(experimental_data_for_UBA_2019[6:10], + function(x) x$data[c("name", "time", "value")]) +m_sfo_sfo <- mkinmod(parent = mkinsub("SFO", "A1"), + A1 = mkinsub("SFO"), use_of_ff = "min") +m_sfo_sfo_ff <- mkinmod(parent = mkinsub("SFO", "A1"), + A1 = mkinsub("SFO"), use_of_ff = "max") +m_fomc_sfo <- mkinmod(parent = mkinsub("FOMC", "A1"), + A1 = mkinsub("SFO")) +m_dfop_sfo <- mkinmod(parent = mkinsub("DFOP", "A1"), + A1 = mkinsub("SFO")) +m_sforb_sfo <- mkinmod(parent = mkinsub("SFORB", "A1"), + A1 = mkinsub("SFO")) + +f_2 <- mmkin(list("SFO-SFO" = m_sfo_sfo, + "SFO-SFO-ff" = m_sfo_sfo_ff, + "FOMC-SFO" = m_fomc_sfo, + "DFOP-SFO" = m_dfop_sfo, + "SFORB-SFO" = m_sforb_sfo), + ds_2) + +f_nlme_sfo_sfo <- memkin(f_2[1, ]) +f_nlme_sfo_sfo_2 <- memkin(f_2[1, ], "pdDiag(parent_0 + log_k_parent_sink + log_k_parent_A1 + log_k_A1_sink ~ 1)") # explicit +f_nlme_sfo_sfo_3 <- memkin(f_2[1, ], "pdDiag(parent_0 + log_k_parent_sink + log_k_parent_A1 ~ 1)") # reduced +f_nlme_sfo_sfo_4 <- memkin(f_2[1, ], "pdDiag(parent_0 + log_k_parent_sink ~ 1)") # further reduced +\dontrun{ + f_nlme_sfo_sfo_ff <- memkin(f_2[2, ]) # does not converge with maxIter = 50 +} +f_nlme_fomc_sfo <- memkin(f_2[3, ]) +\dontrun{ + f_nlme_dfop_sfo <- memkin(f_2[4, ]) # apparently underdetermined + f_nlme_sforb_sfo <- memkin(f_2[5, ]) # also does not converge +} +anova(f_nlme_fomc_sfo, f_nlme_sfo_sfo, f_nlme_sfo_sfo_4) +} |