diff options
Diffstat (limited to 'R/endpoints.R')
| -rw-r--r-- | R/endpoints.R | 21 |
1 files changed, 10 insertions, 11 deletions
diff --git a/R/endpoints.R b/R/endpoints.R index e81e7a0a..227671b5 100644 --- a/R/endpoints.R +++ b/R/endpoints.R @@ -10,18 +10,17 @@ #' 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], [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. +#' @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. #' @importFrom stats optimize -#' @return A list with a matrix of dissipation times named distimes, -#' 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 +#' @return A list with a matrix of dissipation times named distimes, 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], -#' [summary.nlme.mmkin] and [summary.saem.mmkin]. +#' [summary.nlme.mmkin] and [summary.saem.mmkin]. #' @author Johannes Ranke #' @examples #' @@ -160,7 +159,7 @@ endpoints <- function(fit) { k_12 = degparms[paste("k", obs_var, "free", "bound", sep="_")] k_21 = degparms[paste("k", obs_var, "bound", "free", sep="_")] - sqrt_exp = sqrt(1/4 * (k_12 + k_21 + k_1output)^2 + k_12 * k_21 - (k_12 + k_1output) * k_21) + sqrt_exp = sqrt(1/4 * (k_12 + k_21 + k_1output)^2 - k_1output * k_21) b1 = 0.5 * (k_12 + k_21 + k_1output) + sqrt_exp b2 = 0.5 * (k_12 + k_21 + k_1output) - sqrt_exp |