diff options
author | Johannes Ranke <jranke@uni-bremen.de> | 2019-10-25 00:37:42 +0200 |
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committer | Johannes Ranke <jranke@uni-bremen.de> | 2019-10-25 02:03:54 +0200 |
commit | 0a3eb0893cb4bd1b12f07a79069d1c7f5e991495 (patch) | |
tree | 1bf0ffeb710b3438fee224d0a657606b4c36b495 /R/mkinerrmin.R | |
parent | 053bf27d3f265c7a7378e2df3e00cf891e0d1bb2 (diff) |
Use roxygen for functions and methods
Diffstat (limited to 'R/mkinerrmin.R')
-rw-r--r-- | R/mkinerrmin.R | 55 |
1 files changed, 38 insertions, 17 deletions
diff --git a/R/mkinerrmin.R b/R/mkinerrmin.R index ce4877d2..0b647b81 100644 --- a/R/mkinerrmin.R +++ b/R/mkinerrmin.R @@ -1,22 +1,43 @@ -# Copyright (C) 2010-2019 Johannes Ranke -# Contact: jranke@uni-bremen.de - -# This file is part of the R package mkin - -# mkin is free software: you can redistribute it and/or modify it under the -# terms of the GNU General Public License as published by the Free Software -# Foundation, either version 3 of the License, or (at your option) any later -# version. - -# This program is distributed in the hope that it will be useful, but WITHOUT -# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS -# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more -# details. - -# You should have received a copy of the GNU General Public License along with -# this program. If not, see <http://www.gnu.org/licenses/> if(getRversion() >= '2.15.1') utils::globalVariables(c("name", "value_mean")) +#' Calculate the minimum error to assume in order to pass the variance test +#' +#' This function finds the smallest relative error still resulting in passing +#' the chi-squared test as defined in the FOCUS kinetics report from 2006. +#' +#' This function is used internally by \code{\link{summary.mkinfit}}. +#' +#' @param fit an object of class \code{\link{mkinfit}}. +#' @param alpha The confidence level chosen for the chi-squared test. +#' @importFrom stats qchisq aggregate +#' @return A dataframe with the following components: \item{err.min}{The +#' relative error, expressed as a fraction.} \item{n.optim}{The number of +#' optimised parameters attributed to the data series.} \item{df}{The number of +#' remaining degrees of freedom for the chi2 error level calculations. Note +#' that mean values are used for the chi2 statistic and therefore every time +#' point with observed values in the series only counts one time.} The +#' dataframe has one row for the total dataset and one further row for each +#' observed state variable in the model. +#' @references FOCUS (2006) \dQuote{Guidance Document on Estimating Persistence +#' and Degradation Kinetics from Environmental Fate Studies on Pesticides in EU +#' Registration} Report of the FOCUS Work Group on Degradation Kinetics, EC +#' Document Reference Sanco/10058/2005 version 2.0, 434 pp, +#' \url{http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics} +#' @keywords manip +#' @examples +#' +#' SFO_SFO = mkinmod(parent = mkinsub("SFO", to = "m1"), +#' m1 = mkinsub("SFO"), +#' use_of_ff = "max") +#' +#' fit_FOCUS_D = mkinfit(SFO_SFO, FOCUS_2006_D, quiet = TRUE) +#' round(mkinerrmin(fit_FOCUS_D), 4) +#' \dontrun{ +#' fit_FOCUS_E = mkinfit(SFO_SFO, FOCUS_2006_E, quiet = TRUE) +#' round(mkinerrmin(fit_FOCUS_E), 4) +#' } +#' +#' @export mkinerrmin <- function(fit, alpha = 0.05) { parms.optim <- fit$par |