R/phenolics.R

In envalysis: Miscellaneous Functions for Environmental Analyses

#' @family calibration
#' 
#' @title Degradation of phenolic compounds by Steinmetz et al. (2019)
#' 
#' @description
#' The sample data is stored in a list consisting of two
#' \code{\link[base]{data.frame}}s: a sequence table (\code{seq}) and a sample
#' table (\code{samples}).
#' 
#' The sequence table contains gas-chromatography/mass spectrometry measurement 
#' data of two phenolic compounds, these are tyrosol and vanillin. Besides the
#' samples, standard mixtures and extraction blanks were acquired in three
#' separate analysis batches. Each measurement resulted in an integrated peak
#' area.
#' 
#' The sample table describes the samples' origin from a 29-day degradation
#' experiment, in which the phenolic compounds were either degraded in the dark
#' by the native soil microbial community or photooxidized under UV irradiation.
#' The samples were processed in threefold replication. Their weight [g], the
#' volume [mL] of extract solution, and the dilution factor were recorded.
#' 
#' @format
#' A list containing two \code{\link[base]{data.frame}}s.
#' 
#' \code{seq} is a data frame with 160 rows and 6 columns with information on:
#' 
#' \describe{
#'   \item{Compound}{name of the phenolic compound}
#'   \item{Type}{sample type}
#'   \item{Batch}{number of the extraction batch}
#'   \item{Name}{sample name}
#'   \item{Area}{integrated peak area}
#'   \item{Spec Conc}{specified/nominal concentration [mg/L] of standards}
#' }
#'
#' \code{samples} is a data frame with 42 rows and 9 columns with information
#' on:
#' 
#' \describe{
#'   \item{Name}{sample name; same as in \code{seq}}
#'   \item{Day}{day of the incubation experiment}
#'   \item{Lighting}{lighting conditions of the sample (dark/UV)}
#'   \item{Sterilization}{if the sample was sterilized prior incubation}
#'   \item{Treatment}{treatment name (Biogradation/Photooxidation)}
#'   \item{Replicate}{replicate number}
#'   \item{Weight}{sample weight [g]}
#'   \item{Extract}{extract volume [mL]}
#'   \item{Dilution}{dilution factor}
#' }
#' 
#' @author
#' Zacharias Steinmetz
#' 
#' @references 
#' Steinmetz, Z., Kurtz, M.P., Zubrod, J.P., Meyer, A.H., Elsner, M., &
#' Schaumann, G.E. (2019) Biodegradation and photooxidation of phenolic
#' compounds in soil—A compound-specific stable isotope approach.
#' \emph{Chemosphere} \bold{230}, 210-218. DOI:
#' \doi{10.1016/j.chemosphere.2019.05.030}.
#' 
#' @docType data
#' @keywords data
#' @name phenolics
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