diff --git a/R/chemistry-tools.R b/R/chemistry-tools.R
index b660ea9..cf91b49 100644
--- a/R/chemistry-tools.R
+++ b/R/chemistry-tools.R
@@ -16,140 +16,3 @@ molarity2mass <- function(formulamass, volume, molarity) {
    # [g * mol-1] * [liter] * [mole * liter-1] = [g]
    return(mass)
 }
-
-
-
-#' Vapour pressure of water
-#'
-#' Vapour pressure of water as a function of temperature
-#' This function returns the vapour pressure of water at the given
-#' temperature(s) from the common::vapourwater dataset.
-#'
-#' @param temperature numeric vector, in degrees Celsius
-#'
-#' @return vapour pressure of water, in kilopascal
-#' @export
-#'
-#' @examples
-#' \dontrun{
-#' VapourPressureWater(45)
-#' VapourPressureWater(c(20, 25, 45, 60))
-#' }
-VapourPressureWater <- function(temperature) {
-   data <- common::vapourwater
-   # if T outside range in data, warn the user
-   if (any(temperature < min(data$temperature)) | any(temperature > max(data$temperature))) {
-      warning("At least one supplied temperature is outside the data range (",
-           paste(range(data$temperature), collapse=" - "),
-           " Celsius). Returning NAs for those values.")
-   }
-   # The vapourwater dataset only contains data for every degree celsius (or less),
-   # so we use the interpolation function to fill in the rest.
-   # Note that approx(rule = 1) returns NAs for input outside the data range.
-   pressure <-
-      stats::approx(x = data$temperature, y = data$pressure,
-                    method = "linear", rule = 1,
-                    xout = temperature)$y
-   return(pressure)
-}
-
-
-
-#' Oxygen solubility in water
-#'
-#' Oxygen solubility in water  which is in contact with
-#' air saturated with water vapour, as a function of
-#' temperature and at a total pressure of 760 torr.
-#'
-#' Some background: as the temperature of a gasesous solution is raised the
-#' gas is driven off until complete degassing occurs at the boiling point
-#' of the solvent. This variation of solubility with temperature can be
-#' derived from thermodynamic first principles.
-#' But the variation of oxygen solubility in water cannot be represented by a
-#' simple relationship (derived from thermodynamic first principles), and so
-#' more complicated expressions which are fitted to empirical data have
-#' to be used.
-#'
-#' Hitchman, Measurement of Dissolved Oxygen, 1978 reproduce a table by
-#' Battino and Clever (1966) that presents experimental values of the
-#' so-called Bunsen absorption coefficient (this is the volume of gas, at 0 C
-#' and 760 torr, that, at the temperature of measurement, is dissolved in one
-#' volume of the solvent when the partial pressure of the gas is 760 torr)
-#' recorded by eleven research groups up until 1965. The standard error of the
-#'  mean value is never greater +-0.5%. The mean values from this table are
-#' probably accurate enough for most applications.
-#' Hitchman notes that the data in this table can be fitted by two forms of
-#' equations: one form obtained from Henry's law (under the restriction that
-#' the partial pressure of the gas remains constant), and another form by
-#' describing the variation with temperature by fitting a general power series.
-#' The latter approach is used in this function.
-#'
-#' Hitchman chooses to fit a fourth degree polynomial, and found that the
-#' square of the correlation coefficient was 0.999996.
-#'
-#' For more background and detailed derivation of the formula used here,
-#' see section 2.2 (pp. 11) in Hitchman.
-#'
-#' This formula is strictly speaking only valid for 0 < T < 50 celsius.
-#' The function will return values outside this range, but with a warning.
-#'
-#' @param temperature numeric, vector. In degrees Celsius.
-#'
-#' @return a dataframe with the following columns:
-#'     + "temperature" same as the supplied temperature
-#'     + "g/cm-3" oxygen solubility expressed as gram per cubic cm
-#'     + "mg/L" ditto expressed as milligram per litre
-#'     + "mol/L" ditto expressed as moles per litre (molarity)
-#'     + "permoleculewater" number of O2 molecules per molecule of water
-#'    Note: mg/L is equivalent to ppm by weight (since water has approx
-#'    unit density in the temperature range 0-50 Celsius).
-#' @export
-#' @examples
-#' \dontrun{
-#' OxygenSolubilityWater(22)
-#' OxygenSolubilityWater(c(2, 7, 12, 30))
-#' }
-OxygenSolubilityWater <- function(temperature) {
-   if (any(temperature < 0) | any(temperature > 50)) {
-      warning("This function is fitted to data within the range 0 - 50 Celsius. ",
-              "You are now extrapolating.")
-   }
-   # formula weight of oxygen
-   oxygen.fw <- 15.9994 # gram per mole
-   # formula weight of water
-   water.fw <- 18.02
-   # oxygen ratio in dry air (20.95%)
-   oxygen.dryair <- 20.95 / 100
-   # coefficients (from Hitchman)
-   A <-  4.9E1
-   B <- -1.335
-   C <-  2.759E-2
-   D <- -3.235E-4
-   E <-  1.614E-6
-   # conversion factor from Bunsen to g/cm-3
-   conv.factor <- (2 * oxygen.fw) / 22.414E3
-   # Bunsen absorption coefficient, commonly denoted as Greek alpha
-   alpha <-
-      1E-3 * (A + B * temperature + C * temperature^2 +
-                 D * temperature^3 + E * temperature^4)
-   # solubility of oxygen, in gram per cm-3
-   oxygen.solubility <-
-      data.frame(temperature = temperature,
-         grampercm3 =
-           (conv.factor * oxygen.dryair / 760) * alpha *
-           # keep in mind that VapourPressureWater() returns values in kilopascal
-           (760 - pascal2torr(1E3 * common::VapourPressureWater(temperature))),
-        mgperlitre =
-           1E6 * (conv.factor * oxygen.dryair / 760) * alpha *
-           (760 - pascal2torr(1E3 * common::VapourPressureWater(temperature))),
-        molperlitre =
-           1E3 * (conv.factor * oxygen.dryair / 760) * alpha *
-           (760 - pascal2torr(1E3 * common::VapourPressureWater(temperature))) /
-           (2 * oxygen.fw))
-   # Number of O2 molecules per water molecule
-   oxygen.solubility$permoleculewater <-
-      # note: using a water density value that's approx the average in the
-      # temperature range 0 - 50 Celsius
-      ((1E3 * oxygen.solubility$grampercm3) / oxygen.fw) / (995.00 / water.fw)
-   return(oxygen.solubility)
-}
diff --git a/R/data.R b/R/data.R
deleted file mode 100644
index 7780215..0000000
--- a/R/data.R
+++ /dev/null
@@ -1,18 +0,0 @@
-#' @name vapourwater
-#' @title Vapour pressure and other saturation properties of water
-#' @description A dataset summarising vapour pressure, enthalpy of vapourisation,
-#'     and surface tension of water from 0.01 Celsius to 373.95 Celsius.
-#'     Data as accepted by the International Association for the Properties
-#'     of Water and Steam for general scientific use.
-#'     Source: CRC handbook, 94th ed., table 6-10-90, Eric W. Lemmon.
-#' @docType data
-#' @format A data frame with 189 rows and 4 variables:
-#' \describe{
-#'   \item{temperature}{temperature/celsius}
-#'   \item{pressure}{pressure/kilopascal}
-#'   \item{enthalpy}{enthalpy of vapourisation/kilojoule per kilogram}
-#'   \item{surfacetension}{surface tension/millinewton per metre}
-#' }
-#' @source Handbook of Chemistry and Physics, 94th ed., 6-10-90, Eric W. Lemmon.
-#' @author Taha Ahmed
-NULL
diff --git a/R/unit-converters-electrochemical.R b/R/unit-converters-electrochemical.R
deleted file mode 100644
index 4df2b50..0000000
--- a/R/unit-converters-electrochemical.R
+++ /dev/null
@@ -1,871 +0,0 @@
-#' AVS -> SHE
-#'
-#' Converts from absolute vacuum scale (AVS) to SHE scale
-#'
-#' @param avs Potential in AVS scale
-#'
-#' @return potential in SHE scale (numeric)
-#' @export
-AVS2SHE <- function(avs) {
-   .Deprecated("as.SHE")
-   she <- -(4.5 + avs)
-   return(she)
-}
-
-
-#' SHE -> AVS
-#'
-#' Converts from SHE scale to absolute vacuum (AVS) scale
-#'
-#' @param she Potential in SHE scale
-#'
-#' @return potential in AVS scale (numeric)
-#' @export
-SHE2AVS <- function(she) {
-   .Deprecated("as.SHE")
-   avs <- -(4.5 + she)
-   return(avs)
-}
-
-
-
-#' Get standardised name of reference electrode
-#'
-#' Given a reference electrode label, this function returns its canonical name
-#' (as defined by this package).
-#' This function tries to match against as many variations as possible for each
-#' reference electrode.
-#' The entire point of this function is to decrease the mental load on the user
-#' by not requiring them to remember a particular label or name for each reference
-#' electrode, instead almost any sufficiently distinct label or string will still
-#' be correctly identified.
-#'
-#' @param refname string or a vector of strings
-#'
-#' @return vector with corresponding "canonical" name or empty string (if none found)
-#' @export
-RefCanonicalName <- function(refname) {
-   # scale names
-   electrode.system <- list()
-   electrode.system[["SHE"]] <-
-      c("SHE",
-        "Standard hydrogen",
-        "Standard hydrogen electrode")
-   electrode.system[["AgCl/Ag"]] <-
-      c("AgCl/Ag",
-        "Ag/AgCl",
-        "AgCl",
-        "Silver-Silver chloride",
-        "Silver chloride",
-        "SSC") # Sometimes used abbr. for Saturated Silver Chloride
-   electrode.system[["Hg2Cl2/Hg"]] <-
-      c("Hg2Cl2/Hg",
-        "Hg/Hg2Cl2",
-        "Hg2Cl2",
-        "Calomel-Mercury",
-        "Mercury-Calomel",
-        "Calomel",
-        "SCE")
-   electrode.system[["AVS"]] <-
-      c("AVS",
-        "Vacuum",
-        "Vacuum scale",
-        "Absolute",
-        "Absolute scale",
-        "Absolute vacuum scale")
-   electrode.system[["Li"]] <-
-      c("Li",
-        "Li/Li+",
-        "Li+/Li",
-        "Lithium")
-   electrode.system[["Na"]] <-
-      c("Na",
-        "Na+/Na",
-        "Na/Na+",
-        "Sodium")
-   electrode.system[["Mg"]] <-
-      c("Mg",
-        "Mg2+/Mg",
-        "Mg/Mg2+",
-        "Magnesium")
-
-   # if no argument or empty string supplied as arg, return the entire list as df
-   # to give the user a nice overview of all available options
-   if (missing(refname) || refname == "") {
-      max.row.length <- 0
-      for (i in 1:length(electrode.system)) {
-         # find the longest row and save its length
-         this.row.length <- length(electrode.system[[i]])
-         if (this.row.length > max.row.length) max.row.length <- this.row.length
-      }
-      # initialise an empty df with dimensions that fit electrode.system
-      overview.names <-
-         data.frame(
-            structure(dimnames =
-                         list(
-                            # rownames
-                            seq(1, length(electrode.system)),
-                            # colnames
-                            c("canonical", paste0("option", seq(1, max.row.length - 1)))),
-                      matrix("",
-                             nrow = length(electrode.system),
-                             ncol = max.row.length,
-                             byrow = TRUE)),
-            stringsAsFactors = FALSE)
-      # now populate the df
-      for (i in 1:length(electrode.system)) {
-         this.row.length <- length(electrode.system[[i]])
-         overview.names[i,1:this.row.length] <- electrode.system[[i]]
-      }
-      message(paste0("You did not specify any reference electrode name.\n",
-                     "Here are the options supported by this function (case-insensitive):"))
-      print(knitr::kable(overview.names))
-   }
-
-   # defining refname in this manner makes sure to get all possible combinations
-   # but there might be a number of duplicates, but those we can
-   # get rid of in the next step
-   electrode <-
-      data.frame(refname =
-                    # here we create lower-case version of electrode.system,
-                    # a version with symbols (-/) subbed with spaces,
-                    # and a lower-case with symbols subbed with spaces
-                    c(unname(unlist(electrode.system)),
-                      tolower(unname(unlist(electrode.system))),
-                      gsub("[-/]", " ", unname(unlist(electrode.system))),
-                      gsub("[-/]", " ", tolower(unname(unlist(electrode.system))))),
-                 refcanon =
-                    rep(sub("[0-9]$", "", names(unlist(electrode.system))),
-                        4), # this number needs to equal number of elements in c() above!
-                 stringsAsFactors = FALSE)
-   # detect and remove duplicates
-   electrode <-
-      electrode[!duplicated(electrode$refname),]
-   # reset row numbering in dataframe just for good measure
-   row.names(electrode) <- 1:dim(electrode)[1]
-
-   # pre-allocate the return vector
-   refcanon <- rep("", length(refname))
-   # now all we have to do is check each user-submitted refname against
-   # electrode$refname and return the value on the same row but next column
-   for (i in 1:length(refname)) {
-      refcanon[i] <-
-         electrode$refcanon[which(electrode$refname == refname[i])]
-   }
-
-   return(refcanon)
-}
-
-
-
-
-#' Potentials as SHE
-#'
-#' This function just outputs a tidy dataframe with potential vs SHE for
-#' different scales, electrolytes, concentrations, and temperatures.
-#' Using data from literature.
-#'
-#' @return tidy dataframe with the following columns
-#'    \tabular{ll}{
-#'    \code{electrode}     \tab reference electrode \cr
-#'    \code{electrolyte}   \tab electrolyte \cr
-#'    \code{conc.num}      \tab concentration of electrolyte, mol/L \cr
-#'    \code{conc.string}   \tab concentration of electrolyte, as string, may also note temperature at which conc \cr
-#'    \code{temp}          \tab temperature / degrees Celsius \cr
-#'    \code{SHE}           \tab potential vs SHE / volt \cr
-#'    \code{sid}           \tab set id, just for housekeeping inside this function \cr
-#'    \code{reference}     \tab BibTeX reference \cr
-#'    \code{dEdT}          \tab temperature coefficient / volt/kelvin \cr
-#'    }
-#' @export
-potentials.as.SHE <- function() {
-   # scale name should be one of canonical (see RefCanonicalName)
-
-   # follow the convention of "each row one observation" (at different temperatures)
-   # all potentials vs SHE
-
-   potentials <-
-      as.data.frame(
-         matrix(data =
-                   # electrode # electrolyte # conc/M # conc label # temp # pot vs SHE # set id # ref
-                   c("AgCl/Ag",   "NaCl(aq)", "5.9", "saturated",   "25", "0.2630",  "9",  "CRC 97th ed., 97-05-22",
-                     "AgCl/Ag",   "KCl(aq)",  "3.5", "3.5M at 25C", "10", "0.215",   "1",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "3.5", "3.5M at 25C", "15", "0.212",   "1",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "3.5", "3.5M at 25C", "20", "0.208",   "1",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "3.5", "3.5M at 25C", "25", "0.205",   "1",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "3.5", "3.5M at 25C", "30", "0.201",   "1",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "3.5", "3.5M at 25C", "35", "0.197",   "1",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "3.5", "3.5M at 25C", "40", "0.193",   "1",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "4.2", "saturated",   "10", "0.214",   "2",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "4.2", "saturated",   "15", "0.209",   "2",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "4.2", "saturated",   "20", "0.204",   "2",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "4.2", "saturated",   "25", "0.199",   "2",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "4.2", "saturated",   "30", "0.194",   "2",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "4.2", "saturated",   "35", "0.189",   "2",  "Sawyer1995",
-                     "AgCl/Ag",   "KCl(aq)",  "4.2", "saturated",   "40", "0.184",   "2",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "0.1", "0.1M at 25C", "10", "0.336",   "3",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "0.1", "0.1M at 25C", "15", "0.336",   "3",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "0.1", "0.1M at 25C", "20", "0.336",   "3",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "0.1", "0.1M at 25C", "25", "0.336",   "3",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "0.1", "0.1M at 25C", "30", "0.335",   "3",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "0.1", "0.1M at 25C", "35", "0.334",   "3",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "0.1", "0.1M at 25C", "40", "0.334",   "3",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "1.0", "1.0M at 25C", "10", "0.287",   "4",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "1.0", "1.0M at 25C", "20", "0.284",   "4",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "1.0", "1.0M at 25C", "25", "0.283",   "4",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "1.0", "1.0M at 25C", "30", "0.282",   "4",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "1.0", "1.0M at 25C", "40", "0.278",   "4",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "3.5", "3.5M at 25C", "10", "0.256",   "5",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "3.5", "3.5M at 25C", "15", "0.254",   "5",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "3.5", "3.5M at 25C", "20", "0.252",   "5",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "3.5", "3.5M at 25C", "25", "0.250",   "5",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "3.5", "3.5M at 25C", "30", "0.248",   "5",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "3.5", "3.5M at 25C", "35", "0.246",   "5",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "3.5", "3.5M at 25C", "40", "0.244",   "5",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "4.2", "saturated",   "10", "0.254",   "6",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "4.2", "saturated",   "15", "0.251",   "6",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "4.2", "saturated",   "20", "0.248",   "6",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "4.2", "saturated",   "25", "0.244",   "6",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "4.2", "saturated",   "30", "0.241",   "6",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "4.2", "saturated",   "35", "0.238",   "6",  "Sawyer1995",
-                     "Hg2Cl2/Hg", "KCl(aq)",  "4.2", "saturated",   "40", "0.234",   "6",  "Sawyer1995",
-                     "AVS",       "",         "",    "",            "25", "-4.44",   "7",  "Trasatti1986",
-                     "SHE",       "",         "",    "",       "-273.15", "0.00",    "8",  "Inzelt2013",
-                     "SHE",       "",         "",    "",             "0", "0.00",    "8",  "Inzelt2013",
-                     "SHE",       "",         "",    "",            "25", "0.00",    "8",  "Inzelt2013",
-                     # arbitrary max T=580C (temp at which sodalime glass loses rigidity)
-                     "SHE",       "",         "",    "",           "580", "0.00",    "8",  "Inzelt2013",
-                     "Li",        "",         "1.0", "1.0M at 25C", "25", "-3.0401", "10", "CRC 97th ed., 97-05-22",
-                     "Na",        "",         "1.0", "1.0M at 25C", "25", "-2.71",   "11", "CRC 97th ed., 97-05-22",
-                     "Mg",        "",         "1.0", "1.0M at 25C", "25", "-2.372",  "12", "CRC 97th ed., 97-05-22"),
-                ncol = 8,
-                byrow = TRUE), stringsAsFactors = FALSE)
-
-   colnames(potentials) <-
-      c("electrode",
-        "electrolyte",
-        "conc.num",
-        "conc.string",
-        "temp",
-        "SHE",
-        "sid",
-        "reference")
-
-   # convert these columns to type numeric
-   potentials[, c("conc.num", "temp", "SHE")] <-
-      as.numeric(as.character(unlist(potentials[, c("conc.num", "temp", "SHE")])))
-
-   # make room for a dE/dT column
-   potentials$dEdT <- as.numeric(NA)
-
-   # calculate temperature coefficient (dE/dT) for each scale, concentration, and electrolyte (ie. set id)
-   for (s in 1:length(unique(potentials$sid))) {
-      # sid column eas added to data just to make this calculation here easier
-      subspot <- potentials[which(potentials$sid == unique(potentials$sid)[s]), ]
-      # a linear fit will give us temperature coefficient as slope
-      lm.subspot <- stats::lm(SHE ~ temp, data = subspot)
-      potentials[which(potentials$sid == unique(potentials$sid)[s]), "dEdT"] <-
-         lm.subspot$coefficients[2]
-   }
-
-   return(potentials)
-}
-
-
-
-
-#' Convert from electrochemical or physical scale to SHE
-#'
-#' Convert an arbitrary number of potentials against any known electrochemical
-#' scale (or the electronic vacuum scale) to potential vs SHE.
-#'
-#' @param potential potential in volt
-#' @param scale name of the original scale
-#' @param electrolyte optional, specify electrolyte solution, e.g., "KCl(aq)". Must match value in \code{as.SHE.data$electrolyte}.
-#' @param concentration of electrolyte in mol/L, or as the string "saturated"
-#' @param temperature of system in degrees Celsius
-#' @param as.SHE.data dataframe with dataset
-#'
-#' @return potential in SHE scale
-#' @export
-as.SHE <- function(potential,
-                   scale,
-                   electrolyte = "",
-                   concentration = "saturated",
-                   temperature = 25,
-                   as.SHE.data = potentials.as.SHE()) {
-
-   # if the supplied temperature does not exist in the data, this function will attempt to interpolate
-   # note that concentration has to match, no interpolation is attempted for conc
-
-   # potential and scale vectors supplied by user could have arbitrary length
-   # just make sure potential and scale args have the same length (or length(scale) == 1)
-   if (length(potential) == 0 | length(scale) == 0) {
-      stop("Potential or scale arguments cannot be empty!")
-   } else if (length(potential) != length(scale)) {
-      # stop, unless length(scale) == 1 where we will assume it should be recycled
-      if (length(scale) == 1) {
-         message("Arg <scale> has unit length. We'll recycle it to match length of <potential>.")
-         scale <- rep(scale, length(potential))
-      } else {
-         stop("Length of <potential> and <scale> must be equal OR <scale> may be unit length.")
-      }
-   }
-
-   arglength <- length(potential)
-   # make the args concentration, temperature and electrolyte this same length,
-   # unless the user supplied them (only necessary for length > 1)
-   if (arglength > 1) {
-      # handle two cases:
-      # 1. user did not touch concentration, temperature and electrolyte args.
-      #    Assume they forgot and reset their length and print a message
-      # 2. user did change concentration or temperature or electrolyte, but still failed to
-      #    ensure length equal to arglength. In this case, abort.
-      # note: we can get the default value set in the function call using formals()
-      if (identical(concentration, formals(as.SHE)$concentration) &
-          identical(temperature, formals(as.SHE)$temperature) &
-          identical(electrolyte, formals(as.SHE)$electrolyte)) {
-         # case 1
-         # message("NOTE: default concentration and temperature values used for all potentials and scales.")
-         message(paste0("The default concentration (", formals(as.SHE)$concentration, ") and temperature (", formals(as.SHE)$temperature, "C) will be assumed for all your potential/scale values."))
-         concentration <- rep(concentration, arglength)
-         temperature <- rep(temperature, arglength)
-         electrolyte <- rep(electrolyte, arglength)
-      } else {
-         # case 2
-         stop("Concentration, temperature and electrolyte arguments must have the same number of elements as potential and scale!")
-      }
-   }
-
-   ## we can now safely assume that length(<args>) == arglength
-   # place args into a single dataframe
-   # this way, we can correlate columns to each other by row
-   dfargs <-
-      data.frame(potential = potential,
-                 scale = common::RefCanonicalName(scale),
-                 electrolyte = electrolyte,
-                 concentration = concentration,
-                 temperature = temperature,
-                 stringsAsFactors = FALSE)
-   # add column to keep track of vacuum scale
-   # dfargs$vacuum <- as.logical(FALSE)
-   # add column to hold calc potential vs SHE
-   dfargs$SHE <-  as.numeric(NA)
-
-   ## From here on, ONLY access the arguments via this dataframe
-   ## That is, use dfargs$electrolyte, NOT electrolyte
-
-   # SHE scale special considerations
-   # 1. concentration is constant for SHE
-   if (any(dfargs$scale == common::RefCanonicalName("SHE"))) {
-      dfargs$concentration[which(dfargs$scale == common::RefCanonicalName("SHE"))] <- ""
-      dfargs$electrolyte[which(dfargs$scale == common::RefCanonicalName("SHE"))] <- ""
-   }
-
-   # AVS scale special considerations
-   # 1. concentration is meaningless for AVS
-   if (any(dfargs$scale == common::RefCanonicalName("AVS"))) {
-      # concentration is meaningless for AVS (no electrolyte) so for those rows, we'll reset it
-      dfargs$concentration[which(dfargs$scale == common::RefCanonicalName("AVS"))] <- ""
-      dfargs$electrolyte[which(dfargs$scale == common::RefCanonicalName("AVS"))] <- ""
-      # dfargs$vacuum[which(dfargs$scale == common::RefCanonicalName("AVS"))] <- TRUE
-   }
-
-   # now just work our way through dfargs, line-by-line to determine potential as SHE
-   # all necessary conditions should be recorded right here in dfargs
-   for (p in 1:dim(dfargs)[1]) {
-      ## WE ARE NOW WORKING ROW-BY-ROW THROUGH THE SUPPLIED ARGUMENTS IN dfargs
-      # Step-wise matching:
-      # + first, we subset against electrode scale. If dataset only has one row, done. Else,
-      # + we subset against either conc.string or conc.num. Stop if zero rows in dataset (error), otherwise proceed.
-      # Our "dataset" is the literature data supplied via the argument as.SHE.data
-      this.data.scale <- subset(as.SHE.data, electrode == dfargs$scale[p])
-      # subset.scale <- subset(as.SHE.data, electrode == dfargs$scale[p])
-      if (dim(this.data.scale)[1] > 1) {
-         # continue matching, now against conc.string or conc.num
-         if (is.character(dfargs$concentration[p])) {
-            this.data.concentration <-
-            # subset.concentration <-
-               subset(this.data.scale, conc.string == dfargs$concentration[p])
-         } else {
-            this.data.concentration <-
-            # subset.concentration <-
-               subset(this.data.scale, conc.num == dfargs$concentration[p])
-         }
-         # stop if the resulting dataframe after matching contains no rows
-         if (dim(this.data.concentration)[1] == 0) {
-            stop(paste0("Failed to find any matching entries in dataset for ",
-                        paste(dfargs[p, ], collapse = " ", sep = "")))
-         }
-         # Note: it's ok at this point if the resulting dataset contains more than one row as
-         #       more matching will be done below
-         # If we haven't had reason to stop(), we should be good
-         # just housekeeping: rename the variable so we don't have to edit code below
-         this.SHE.data <- this.data.concentration
-         # subset.SHE.data <- subset.concentration
-      } else {
-         # just housekeeping again
-         this.SHE.data <- this.data.scale
-         # subset.SHE.data <- subset.scale
-      }
-
-
-      ## Electrolyte
-      # == We would like to transparently handle the following scenario:
-      # || if the user did not specify electrolyte solution (which we can check by using formals())
-      # || but the dataset (after subsetting against scale and concentration above) still contains
-      # || more than one electrolyte
-      # >> Approach: we'll specify a "fallback" electrolyte, KCl (usually that's what the user wants)
-      # >> and inform/warn about it
-
-      # KCl is a good assumption, as we always have KCl
-      # for the cases where an electrode system has more than one electrolyte
-      fallback.electrolyte <- "KCl(aq)"
-      if (length(unique(this.SHE.data$electrolyte)) > 1) {
-         if (formals(as.SHE)$electrolyte == "") {
-            warning(paste0("More than one electrolyte ",
-                           "available for E(", dfargs$scale[p], ") in dataset. ",
-                           "I'll assume you want ", fallback.electrolyte, "."))
-            this.SHE.data <-
-               subset(this.SHE.data, electrolyte == fallback.electrolyte)
-         } else {
-            # else the user did change the electrolyte arg, use the user's value
-            this.SHE.data <-
-               subset(this.SHE.data, electrolyte == dfargs$electrolyte[p])
-            # but stop if the resulting dataframe contains no rows
-            if (dim(this.SHE.data)[1] == 0) stop("Your choice of electrolyte does not match any data!")
-         }
-      } else {
-         # dataset contains only one unique electrolyte
-         # again, check if electrolyte in arg matches the one in dataset
-         # if it does, great, if it does not, print a message and use it anyway
-         if (unique(this.SHE.data$electrolyte) == dfargs$electrolyte[p]) {
-            this.SHE.data <-
-               subset(this.SHE.data, electrolyte == dfargs$electrolyte[p])
-         } else {
-            # whatever electrolyte the user supplied does not match what's left in the datasubset
-            # but at this point the user is probably better served by returning the electrolyte we have
-            # along with an informative message (that's the only reason for the if-else below)
-            electrolytes.in.subset <-
-               unique(subset(as.SHE.data, electrode == dfargs$scale[p])$electrolyte)
-            if (dfargs$electrolyte[p] == "") {
-               message(
-                  paste0('Electrolyte "" (empty string) not in dataset for E(',
-                         dfargs$scale[p], '). ',
-                         'These electrolytes are: ',
-                         paste(electrolytes.in.subset, collapse = ', or '), '.',
-                         "I'll assume you want ", fallback.electrolyte, ".")
-                  )
-            } else {
-               message(paste0("Electrolyte ", dfargs$electrolyte[p], " not in dataset for E(",
-                              dfargs$scale[p], "). ",
-                              "These electrolytes are: ",
-                              paste(electrolytes.in.subset, collapse = ", or "), ".",
-                              "I'll assume you want ", fallback.electrolyte, ".")
-                       )
-            }
-         }
-      }
-
-      # temperature
-      # either happens to match a temperature in the dataset, or we interpolate
-      # (under the assumption that potential varies linearly with temperature)
-      if (!any(this.SHE.data$temp == dfargs$temperature[p])) {
-         # sought temperature was not available in dataset, check that it falls inside
-         # note: important to use less/more-than-or-equal in case data only contains one value
-         if ((dfargs$temperature[p] <= max(this.SHE.data$temp)) && (dfargs$temperature[p] >= min(this.SHE.data$temp))) {
-            # within dataset range, do linear interpolation
-            lm.subset <- stats::lm(SHE ~ temp, data = this.SHE.data)
-            # interpolated temperature, calculated based on linear regression
-            # (more accurate than simple linear interpolation with approx())
-            pot.interp <-
-               lm.subset$coefficients[2] * dfargs$temperature[p] + lm.subset$coefficients[1]
-            ### CALC POTENTIAL vs SHE
-            dfargs$SHE[p] <-
-               ifelse(dfargs$scale[p] == "AVS",
-                      pot.interp - dfargs$potential[p],
-                      pot.interp + dfargs$potential[p])
-         }
-      } else {
-         # requested temperature does exist in dataset
-          ### CALC POTENTIAL vs SHE
-         dfargs$SHE[p] <-
-            ifelse(dfargs$scale[p] == "AVS",
-                   subset(this.SHE.data, temp == dfargs$temperature[p])$SHE - dfargs$potential[p],
-                   subset(this.SHE.data, temp == dfargs$temperature[p])$SHE + dfargs$potential[p])
-      }
-   }
-
-   return(dfargs$SHE)
-}
-
-
-
-
-
-#' Convert from SHE scale to another electrochemical or physical scale
-#'
-#' Convert an arbitrary number of potentials vs SHE to another electrochemical
-#' scale (or the vacuum scale).
-#' The available target scales are those listed by \code{\link{potentials.as.SHE}}.
-#'
-#' @param potential potential in volt
-#' @param scale name of the target scale
-#' @param electrolyte optional, specify electrolyte solution, e.g., "KCl(aq)". Must match one of the values in \code{\link{potentials.as.SHE}$electrolyte}
-#' @param concentration of electrolyte in mol/L, or as the string "saturated"
-#' @param temperature of system in degrees Celsius
-#' @param as.SHE.data by default this parameter reads the full dataset \code{\link{potentials.as.SHE}}
-#'
-#' @return potential in the specified target scale
-#' @export
-from.SHE <- function(potential,
-                     scale,
-                     electrolyte = "",
-                     concentration = "saturated",
-                     temperature = 25,
-                     as.SHE.data = potentials.as.SHE()) {
-
-   # if the supplied temperature does not exist in the data, this function will attempt to interpolate
-   # note that concentration has to match, no interpolation is attempted for conc
-
-   # potential and scale vectors supplied by user could have arbitrary length
-   # just make sure potential and scale args have the same length (or length(scale) == 1)
-   if (length(potential) == 0 | length(scale) == 0) {
-      stop("Potential or scale arguments cannot be empty!")
-   } else if (length(potential) != length(scale)) {
-      # stop, unless length(scale) == 1 where we will assume it should be recycled
-      if (length(scale) == 1) {
-         message("Arg <scale> has unit length. We'll recycle it to match length of <potential>.")
-         scale <- rep(scale, length(potential))
-      } else {
-         stop("Length of <potential> and <scale> must be equal OR <scale> may be unit length.")
-      }
-   }
-
-   arglength <- length(potential)
-   # make the args concentration, temperature and electrolyte this same length,
-   # unless the user supplied them (only necessary for length > 1)
-   if (arglength > 1) {
-      # handle two cases:
-      # 1. user did not touch concentration, temperature and electrolyte args.
-      #    Assume they forgot and reset their length and print a message
-      # 2. user did change concentration or temperature or electrolyte, but still failed to
-      #    ensure length equal to arglength. In this case, abort.
-      # note: we can get the default value set in the function call using formals()
-      if (identical(concentration, formals(from.SHE)$concentration) &
-          identical(temperature, formals(from.SHE)$temperature) &
-          identical(electrolyte, formals(from.SHE)$electrolyte)) {
-         # case 1
-         message(paste0("The default concentration (", formals(from.SHE)$concentration, ") and temperature (", formals(from.SHE)$temperature, "C) will be assumed for all your potential/scale values."))
-         concentration <- rep(concentration, arglength)
-         temperature <- rep(temperature, arglength)
-         electrolyte <- rep(electrolyte, arglength)
-      } else {
-         # case 2
-         stop("Concentration, temperature and electrolyte arguments must have the same number of elements as potential and scale!")
-      }
-   }
-
-   ## we can now safely assume that length(<args>) == arglength
-   # place args into a single dataframe
-   # this way, we can correlate columns to each other by row
-   dfargs <-
-      data.frame(potential = potential, # vs SHE
-                 scale = common::RefCanonicalName(scale), # target scale
-                 electrolyte = electrolyte,
-                 concentration = concentration,
-                 temperature = temperature,
-                 stringsAsFactors = FALSE)
-
-   ## From here on, ONLY access the arguments via this dataframe
-   ## That is, use dfargs$electrolyte, NOT electrolyte (and so on)
-
-   # SHE scale special considerations
-   # 1. concentration is constant for SHE
-   if (any(dfargs$scale == common::RefCanonicalName("SHE"))) {
-      dfargs$concentration[which(dfargs$scale == common::RefCanonicalName("SHE"))] <- ""
-      dfargs$electrolyte[which(dfargs$scale == common::RefCanonicalName("SHE"))] <- ""
-   }
-
-   # AVS scale special considerations
-   # 1. concentration is meaningless for AVS
-   if (any(dfargs$scale == common::RefCanonicalName("AVS"))) {
-      # concentration is meaningless for AVS (no electrolyte) so for those rows, we'll reset it
-      dfargs$concentration[which(dfargs$scale == common::RefCanonicalName("AVS"))] <- ""
-      dfargs$electrolyte[which(dfargs$scale == common::RefCanonicalName("AVS"))] <- ""
-   }
-
-   # now just work our way through dfargs, line-by-line to determine potential as SHE
-   # all necessary conditions should be recorded right here in dfargs
-   for (p in 1:dim(dfargs)[1]) {
-      ## WE ARE NOW WORKING ROW-BY-ROW THROUGH THE SUPPLIED ARGUMENTS IN dfargs
-      # Step-wise matching:
-      # + first, we subset against electrode scale. If dataset only has one row, done. Else,
-      # + we subset against either conc.string or conc.num. Stop if zero rows in dataset (error), otherwise proceed.
-      # Our "dataset" is the literature data supplied via the argument as.SHE.data
-      this.data.scale <- subset(as.SHE.data, electrode == dfargs$scale[p])
-      # subset.scale <- subset(as.SHE.data, electrode == dfargs$scale[p])
-      if (dim(this.data.scale)[1] > 1) {
-         # continue matching, now against conc.string or conc.num
-         if (is.character(dfargs$concentration[p])) {
-            this.data.concentration <-
-               subset(this.data.scale, conc.string == dfargs$concentration[p])
-         } else {
-            this.data.concentration <-
-               subset(this.data.scale, conc.num == dfargs$concentration[p])
-         }
-         # stop if the resulting dataframe after matching contains no rows
-         if (dim(this.data.concentration)[1] == 0) {
-            stop(paste0("Failed to find any matching entries in dataset for ",
-                        paste(dfargs[p, ], collapse = " ", sep = "")))
-         }
-         # Note: it's ok at this point if the resulting dataset contains more than one row as
-         #       more matching will be done below
-         # If we haven't had reason to stop(), we should be good
-         # just housekeeping: rename the variable so we don't have to edit code below
-         this.SHE.data <- this.data.concentration
-      } else {
-         # just housekeeping again
-         this.SHE.data <- this.data.scale
-      }
-
-
-      ## Electrolyte
-      # == We would like to transparently handle the following scenario:
-      # || if the user did not specify electrolyte solution (which we can check by using formals())
-      # || but the dataset (after subsetting against scale and concentration above) still contains
-      # || more than one electrolyte
-      # >> Approach: we'll specify a "fallback" electrolyte, KCl (usually that's what the user wants)
-      # >> and inform/warn about it
-
-      # KCl is a good assumption, as we always have KCl for the cases where
-      # an electrode system has more than one electrolyte
-      fallback.electrolyte <- "KCl(aq)"
-      if (length(unique(this.SHE.data$electrolyte)) > 1) {
-         if (formals(as.SHE)$electrolyte == "") {
-            warning(paste0("More than one electrolyte ",
-                           "available for E(", dfargs$scale[p], ") in dataset. ",
-                           "I'll assume you want ", fallback.electrolyte, "."))
-            this.SHE.data <-
-               subset(this.SHE.data, electrolyte == fallback.electrolyte)
-         } else {
-            # else the user did change the electrolyte arg, use the user's value
-            this.SHE.data <-
-               subset(this.SHE.data, electrolyte == dfargs$electrolyte[p])
-            # but stop if the resulting dataframe contains no rows
-            if (dim(this.SHE.data)[1] == 0) stop("Your choice of electrolyte does not match any data!")
-         }
-      } else {
-         # dataset contains only one unique electrolyte
-         # again, check if electrolyte in arg matches the one in dataset
-         # if it does, great, if it does not, print a message and use it anyway
-         if (unique(this.SHE.data$electrolyte) == dfargs$electrolyte[p]) {
-            this.SHE.data <-
-               subset(this.SHE.data, electrolyte == dfargs$electrolyte[p])
-         } else {
-            # whatever electrolyte the user supplied does not match what's left in the datasubset
-            # but at this point the user is probably better served by returning the electrolyte we have
-            # along with an informative message (that's the only reason for the if-else below)
-            electrolytes.in.subset <-
-               unique(subset(as.SHE.data, electrode == dfargs$scale[p])$electrolyte)
-            if (dfargs$electrolyte[p] == "") {
-               message(
-                  paste0('Electrolyte "" (empty string) not in dataset for E(',
-                         dfargs$scale[p], '). ',
-                         'These electrolytes are: ',
-                         paste(electrolytes.in.subset, collapse = ', or '), '.',
-                         "I'll assume you want ", fallback.electrolyte, ".")
-               )
-            } else {
-               message(paste0("Electrolyte ", dfargs$electrolyte[p], " not in dataset for E(",
-                              dfargs$scale[p], "). ",
-                              "These electrolytes are: ",
-                              paste(electrolytes.in.subset, collapse = ", or "), ".",
-                              "I'll assume you want ", fallback.electrolyte, ".")
-               )
-            }
-         }
-      }
-
-      # temperature
-      # either happens to match a temperature in the dataset, or we interpolate
-      # (under the assumption that potential varies linearly with temperature)
-      if (!any(this.SHE.data$temp == dfargs$temperature[p])) {
-         # sought temperature was not available in dataset, check that it falls inside
-         # note: important to use less/more-than-or-equal in case data only contains one value
-         if ((dfargs$temperature[p] <= max(this.SHE.data$temp)) && (dfargs$temperature[p] >= min(this.SHE.data$temp))) {
-            # within dataset range, do linear interpolation
-            lm.subset <- stats::lm(SHE ~ temp, data = this.SHE.data)
-            # interpolated temperature, calculated based on linear regression
-            # (more accurate than simple linear interpolation with approx())
-            pot.interp <-
-               lm.subset$coefficients[2] * dfargs$temperature[p] + lm.subset$coefficients[1]
-            ### CALC POTENTIAL vs requested scale
-            dfargs$potentialvsscale[p] <-
-               ifelse(dfargs$scale[p] == "AVS",
-                      pot.interp - dfargs$potential[p],
-                      dfargs$potential[p] - pot.interp)
-         }
-      } else {
-         # requested temperature does exist in dataset
-         ### CALC POTENTIAL vs requested scale
-         dfargs$potentialvsscale[p] <-
-            ifelse(dfargs$scale[p] == "AVS",
-                   subset(this.SHE.data, temp == dfargs$temperature[p])$SHE - dfargs$potential[p],
-                   dfargs$potential[p] - subset(this.SHE.data, temp == dfargs$temperature[p])$SHE)
-      }
-   }
-
-   return(dfargs$potentialvsscale)
-}
-
-
-
-
-
-#' ConvertRefPotEC
-#'
-#' This function does the heavy lifting.
-#' Converts from an electrochemical reference scale into another.
-#' SHE:     standard hydrogen electrode
-#' Ag/AgCl: silver silver-chloride electrode (3M KCl)
-#' SCE:     saturated calomel electrode
-#'
-#' @param argpotential    potential (numeric)
-#' @param argrefscale     input reference scale (character string)
-#' @param valuerefscale   output reference scale (character string)
-#'
-#' @return potential in output reference scale (numeric)
-ConvertRefPotEC <- function(argpotential, argrefscale, valuerefscale) {
-   .Deprecated("as.SHE")
-   ##### Add more reference electrodes here >>
-   refpotatSHEzero <- c(     0,     -0.21,  -0.24,        3)
-   refrownames     <- c( "SHE", "Ag/AgCl",  "SCE", "Li/Li+")
-   refcolnames     <- c("SHE0",   "AgCl0", "SCE0",    "Li0")
-   ##### Add more reference electrodes here <<
-   #
-   SHE0 <-
-      data.frame(matrix(refpotatSHEzero,
-                        ncol = length(refpotatSHEzero),
-                        byrow = T))
-   refpotmtx <- matrix(NA, length(SHE0), length(SHE0))
-   refpotmtx[,1] <- matrix(as.matrix(SHE0), ncol = 1, byrow = T)
-   for (c in 2:length(SHE0)) {
-      # loop over columns (except the first)
-      for (r in 1:length(SHE0)) {
-         # loop over rows
-         refpotmtx[r, c] <- refpotmtx[r, 1] - refpotmtx[c, 1]
-      }
-   }
-   refpotdf <- as.data.frame(refpotmtx)
-   names(refpotdf) <- refcolnames
-   row.names(refpotdf) <- refrownames
-   ## So far we have made a matrix of all the possible combinations,
-   ## given the vector refpotatSHEzero. The matrix is not strictly necessary,
-   ## but it may prove useful later. It does.
-   #
-   # Match argrefscale to the refrownames
-   argmatch <- match(argrefscale, refrownames, nomatch = 0)
-   # Match valuerefscale to the refrownames
-   valuematch <- match(valuerefscale, refrownames, nomatch = 0)
-   # We simply assume that the match was well-behaved
-   valuepotential <- argpotential + refpotdf[valuematch, argmatch]
-   # Check that arg and value electrodes are within bounds for a match
-   if (argmatch == 0 || valuematch == 0) {
-      # No match
-      # Perform suitable action
-      message("Arg out of bounds in call to ConvertRefPot")
-      valuepotential <- NA
-   }
-   return(valuepotential)
-}
-
-
-#' Convert from one electrochemical scale to another
-#'
-#' @param argpotential    potential (numeric)
-#' @param argrefscale     input reference scale (char string)
-#' @param valuerefscale   output reference scale (char string)
-#'
-#' @return potential in output reference scale (numeric)
-#' @export
-ConvertRefPot <- function(argpotential, argrefscale, valuerefscale) {
-   .Deprecated("as.SHE")
-   # You should check that argpotential is valid numeric
-
-   #  IDEA: make a matrix out of these (scale names and flags)
-
-
-
-
-
-
-   # Valid scales
-   scale.names <- list()
-   scale.names[["SHE"]] <- c("SHE", "NHE", "she", "nhe")
-   scale.names[["AgCl"]] <- c("Ag/AgCl", "AgCl", "ag/agcl", "agcl")
-   scale.names[["SCE"]] <- c("SCE", "sce")
-   scale.names[["Li"]] <- c("Li/Li+", "Li", "Li+", "li", "li+", "li/li+")
-   scale.names[["AVS"]] <- c("AVS", "avs")
-
-   # Set flags
-   bool.flags <-
-      as.data.frame(matrix(0,
-                           nrow = length(scale.names),
-                           ncol = 2))
-   names(bool.flags) <- c("argref", "valueref")
-   row.names(bool.flags) <- names(scale.names)
-
-   # argrefscale
-   # Check that argrefscale is valid character mode
-   # ...
-
-   # steps through all scale names, "row-by-row",
-   # looking for any cell matching "argrefscale" string
-   # if found, save the position of that refelectrode (in scale.names) to
-   # that row and "argref" column of bool.flags
-   for (j in 1:length(row.names(bool.flags))) {
-      if (any(scale.names[[row.names(bool.flags)[j]]] == argrefscale)) {
-         bool.flags[row.names(bool.flags)[j], "argref"] <- j
-      }
-   }
-
-
-   # valuerefscale
-   # Check that valuerefscale is valid character mode
-   # ...
-
-   for (k in 1:length(row.names(bool.flags))) {
-      if (any(scale.names[[row.names(bool.flags)[k]]] == valuerefscale)) {
-         bool.flags[row.names(bool.flags)[k], "valueref"] <- k
-      }
-   }
-
-   # Depending on which flags are set, call the corresponding function
-
-   decision.vector <- colSums(bool.flags)
-
-   # Check if both scales are the same (no conversion needed). If so, abort gracefully.
-   # ...
-
-   if (decision.vector["argref"] == 5 || decision.vector["valueref"] == 5) {
-      # AVS is requested, deal with it it
-      if (decision.vector["argref"] == 5) {
-         # Conversion _from_ AVS
-         rnpotential <- ConvertRefPotEC(AVS2SHE(argpotential),
-                                        "SHE",
-                                        scale.names[[decision.vector["valueref"]]][1])
-      }
-      if (decision.vector["valueref"] == 5) {
-         # Conversion _to_ AVS
-         rnpotential <- SHE2AVS(ConvertRefPotEC(argpotential,
-                                                scale.names[[decision.vector["argref"]]][1],
-                                                "SHE"))
-      }
-   } else {
-      rnpotential <- ConvertRefPotEC(argpotential,
-                                     scale.names[[decision.vector["argref"]]][1],
-                                     scale.names[[decision.vector["valueref"]]][1])
-   }
-   return(rnpotential)
-}
diff --git a/README.md b/README.md
index 59cdf8f..c4dca65 100644
--- a/README.md
+++ b/README.md
@@ -1,4 +1,9 @@
-## A collection of general functions and data
+# A collection of general functions and data
 
-Includes common numerical functions, unit converters,
-some LaTeX-specific functions, as well as reference data.
+Includes common numerical functions and some LaTeX-specific functions.
+
+
+
+## NOTE: the electrochemical reference electrode functions
+
+have **moved** to the [`refelectrodes` package](https://github.com/chepec/refelectrodes)!
diff --git a/data/vapourwater.csv b/data/vapourwater.csv
deleted file mode 100644
index 65c5364..0000000
--- a/data/vapourwater.csv
+++ /dev/null
@@ -1,190 +0,0 @@
-"T/degreeCelsius","P/kPa","dvapH/kJ kg-1","surface tension/mN m-1"
-0.01,0.61165,2500.9,75.65
-2,0.70599,2496.2,75.37
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-6,0.93536,2486.7,74.8
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-202,1621,1931.9,37.22
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-212,1985.1,1891.4,34.92
-214,2065,1883,34.46
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-220,2319.6,1857.4,33.07
-222,2409.6,1848.6,32.6
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-254,4251.8,1694.2,25.1
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-260,4692.3,1661.6,23.69
-262,4846.6,1650.5,23.22
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diff --git a/data/vapourwater.rda b/data/vapourwater.rda
deleted file mode 100644
index d810127..0000000
Binary files a/data/vapourwater.rda and /dev/null differ