## ---- include = FALSE---------------------------------------------------- require(knitr) opts_chunk$set(engine='R', tidy = FALSE) ## ---- echo = TRUE, fig = TRUE, fig.width = 8, fig.height = 7------------- library(mkin, quiet = TRUE) LOD = 0.5 FOCUS_2006_Z = data.frame( t = c(0, 0.04, 0.125, 0.29, 0.54, 1, 2, 3, 4, 7, 10, 14, 21, 42, 61, 96, 124), Z0 = c(100, 81.7, 70.4, 51.1, 41.2, 6.6, 4.6, 3.9, 4.6, 4.3, 6.8, 2.9, 3.5, 5.3, 4.4, 1.2, 0.7), Z1 = c(0, 18.3, 29.6, 46.3, 55.1, 65.7, 39.1, 36, 15.3, 5.6, 1.1, 1.6, 0.6, 0.5 * LOD, NA, NA, NA), Z2 = c(0, NA, 0.5 * LOD, 2.6, 3.8, 15.3, 37.2, 31.7, 35.6, 14.5, 0.8, 2.1, 1.9, 0.5 * LOD, NA, NA, NA), Z3 = c(0, NA, NA, NA, NA, 0.5 * LOD, 9.2, 13.1, 22.3, 28.4, 32.5, 25.2, 17.2, 4.8, 4.5, 2.8, 4.4)) FOCUS_2006_Z_mkin <- mkin_wide_to_long(FOCUS_2006_Z) ## ----FOCUS_2006_Z_fits_1, echo=TRUE, fig.height=6------------------------ Z.2a <- mkinmod(Z0 = mkinsub("SFO", "Z1"), Z1 = mkinsub("SFO")) m.Z.2a <- mkinfit(Z.2a, FOCUS_2006_Z_mkin, quiet = TRUE) plot_sep(m.Z.2a) summary(m.Z.2a, data = FALSE)$bpar ## ----FOCUS_2006_Z_fits_2, echo=TRUE, fig.height=6------------------------ Z.2a.ff <- mkinmod(Z0 = mkinsub("SFO", "Z1"), Z1 = mkinsub("SFO"), use_of_ff = "max") m.Z.2a.ff <- mkinfit(Z.2a.ff, FOCUS_2006_Z_mkin, quiet = TRUE) plot_sep(m.Z.2a.ff) summary(m.Z.2a.ff, data = FALSE)$bpar ## ----FOCUS_2006_Z_fits_3, echo=TRUE, fig.height=6------------------------ Z.3 <- mkinmod(Z0 = mkinsub("SFO", "Z1", sink = FALSE), Z1 = mkinsub("SFO"), use_of_ff = "max") m.Z.3 <- mkinfit(Z.3, FOCUS_2006_Z_mkin, quiet = TRUE) plot_sep(m.Z.3) summary(m.Z.3, data = FALSE)$bpar ## ----FOCUS_2006_Z_fits_5, echo=TRUE, fig.height=7------------------------ Z.5 <- mkinmod(Z0 = mkinsub("SFO", "Z1", sink = FALSE), Z1 = mkinsub("SFO", "Z2", sink = FALSE), Z2 = mkinsub("SFO"), use_of_ff = "max") m.Z.5 <- mkinfit(Z.5, FOCUS_2006_Z_mkin, quiet = TRUE) plot_sep(m.Z.5) ## ----FOCUS_2006_Z_fits_6, echo=TRUE, fig.height=8------------------------ Z.FOCUS <- mkinmod(Z0 = mkinsub("SFO", "Z1", sink = FALSE), Z1 = mkinsub("SFO", "Z2", sink = FALSE), Z2 = mkinsub("SFO", "Z3"), Z3 = mkinsub("SFO"), use_of_ff = "max") m.Z.FOCUS <- mkinfit(Z.FOCUS, FOCUS_2006_Z_mkin, parms.ini = m.Z.5$bparms.ode, quiet = TRUE) plot_sep(m.Z.FOCUS) summary(m.Z.FOCUS, data = FALSE)$bpar endpoints(m.Z.FOCUS) ## ----FOCUS_2006_Z_fits_7, echo=TRUE, fig.height=8------------------------ Z.mkin.1 <- mkinmod(Z0 = mkinsub("SFO", "Z1", sink = FALSE), Z1 = mkinsub("SFO", "Z2", sink = FALSE), Z2 = mkinsub("SFO", "Z3"), Z3 = mkinsub("SFORB")) m.Z.mkin.1 <- mkinfit(Z.mkin.1, FOCUS_2006_Z_mkin, quiet = TRUE) plot_sep(m.Z.mkin.1) summary(m.Z.mkin.1, data = FALSE)$cov.unscaled ## ----FOCUS_2006_Z_fits_9, echo=TRUE, fig.height=8------------------------ Z.mkin.3 <- mkinmod(Z0 = mkinsub("SFORB", "Z1", sink = FALSE), Z1 = mkinsub("SFO", "Z2", sink = FALSE), Z2 = mkinsub("SFO")) m.Z.mkin.3 <- mkinfit(Z.mkin.3, FOCUS_2006_Z_mkin, quiet = TRUE) plot_sep(m.Z.mkin.3) ## ----FOCUS_2006_Z_fits_10, echo=TRUE, fig.height=8----------------------- Z.mkin.4 <- mkinmod(Z0 = mkinsub("SFORB", "Z1", sink = FALSE), Z1 = mkinsub("SFO", "Z2", sink = FALSE), Z2 = mkinsub("SFO", "Z3"), Z3 = mkinsub("SFO")) m.Z.mkin.4 <- mkinfit(Z.mkin.4, FOCUS_2006_Z_mkin, parms.ini = m.Z.mkin.3$bparms.ode, quiet = TRUE) plot_sep(m.Z.mkin.4) ## ----FOCUS_2006_Z_fits_11, echo=TRUE, fig.height=8----------------------- Z.mkin.5 <- mkinmod(Z0 = mkinsub("SFORB", "Z1", sink = FALSE), Z1 = mkinsub("SFO", "Z2", sink = FALSE), Z2 = mkinsub("SFO", "Z3"), Z3 = mkinsub("SFORB")) m.Z.mkin.5 <- mkinfit(Z.mkin.5, FOCUS_2006_Z_mkin, parms.ini = m.Z.mkin.4$bparms.ode[1:4], quiet = TRUE) plot_sep(m.Z.mkin.5) ## ----FOCUS_2006_Z_fits_11a, echo=TRUE------------------------------------ m.Z.mkin.5a <- mkinfit(Z.mkin.5, FOCUS_2006_Z_mkin, parms.ini = c(m.Z.mkin.5$bparms.ode[1:7], k_Z3_bound_free = 0), fixed_parms = "k_Z3_bound_free", quiet = TRUE) plot_sep(m.Z.mkin.5a) ## ----FOCUS_2006_Z_fits_11b, echo=TRUE------------------------------------ mkinparplot(m.Z.mkin.5a) ## ----FOCUS_2006_Z_fits_11b_endpoints, echo=TRUE-------------------------- endpoints(m.Z.mkin.5a)