add example calibration data from DIN 38402

5 files changed, 142 insertions, 0 deletions

diff --git a/man/din38402b1.Rd b/man/din38402b1.Rd
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+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/chemCal-package.R
+\docType{data}
+\name{din38402b1}
+\alias{din38402b1}
+\title{Nitrite calibration data}
+\format{
+A tibble containing 12 concentration levels with the respective
+instrument response values.
+}
+\description{
+Example dataset B.1 from DIN 38402 with concentrations in µg/L and the extinction
+as response measured using continuous flow analysis (CFA) according to
+ISO 13395.
+}
+\references{
+DIN 38402-51:2017-05, Beuth Verlag, Berlin.
+https://dx.doi.org/10.31030/2657448
+}
+\keyword{datasets}
diff --git a/man/din38402b3.Rd b/man/din38402b3.Rd
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+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/chemCal-package.R
+\docType{data}
+\name{din38402b3}
+\alias{din38402b3}
+\title{Copper calibration data}
+\format{
+A tibble containing 13 concentration levels and the respective
+instrument response values.
+}
+\description{
+Example dataset B.3 from DIN 38402. Cu was measured according to ISO 11885,
+using ICP-OES. The concentration are reported in mg/L and the response as
+counts/s, describing the count of photons that are detected by the
+photomultiplier detector of the device.
+}
+\references{
+DIN 38402-51:2017-05, Beuth Verlag, Berlin.
+https://dx.doi.org/10.31030/2657448
+}
+\keyword{datasets}
diff --git a/man/din38402b6.Rd b/man/din38402b6.Rd
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+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/chemCal-package.R
+\docType{data}
+\name{din38402b6}
+\alias{din38402b6}
+\title{Carbamazepin calibration data}
+\format{
+A tibble containing 12 concentration levels and the respective
+instrument response values.
+}
+\description{
+Example dataset B.6 from DIN 38402 measured using LC-MS/MS. The
+concentrations are reported in in µg/L and the response in arbitrary
+units (AU).
+}
+\references{
+DIN 38402-51:2017-05, Beuth Verlag, Berlin.
+https://dx.doi.org/10.31030/2657448
+}
+\keyword{datasets}
diff --git a/man/din38402c3.Rd b/man/din38402c3.Rd
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+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/chemCal-package.R
+\docType{data}
+\name{din38402c3}
+\alias{din38402c3}
+\title{Iron calibration data}
+\format{
+A tibble containing 10 concentration levels and the respective
+response values.
+}
+\description{
+Example dataset C.3 from DIN 38402 determined by ion chromatography.
+Concentrations are reported in mg/L and the extinction as response.
+}
+\references{
+DIN 38402-51:2017-05, Beuth Verlag, Berlin.
+https://dx.doi.org/10.31030/2657448
+}
+\keyword{datasets}
diff --git a/man/linearity.Rd b/man/linearity.Rd
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+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/linearity.R
+\name{linearity}
+\alias{linearity}
+\title{Assess the linearity of a calibration curve}
+\usage{
+linearity(x, y, method = c("slope", "curvature"), tolerance = 0.1)
+}
+\arguments{
+\item{x}{numeric vector of independent values (usually concentrations).}
+
+\item{y}{numeric vector of dependent values (usually the signal of the
+analytical device).}
+
+\item{method}{character string. Supported methods are "slope" and
+"curvature".}
+
+\item{tolerance}{numeric value between 0 and 1, describing the acceptable
+deviation from the median of the slopes or the signal-to-concentration
+ratio. The default tolerance is 10\%.}
+}
+\value{
+returns a diagnostic plot
+}
+\description{
+A function to create diagnostic plots for the assessment of the linearity of
+calibration data based on their point-to-point slope or the curvature.
+The underlying methods follow ISO 84 66-1:2021 and DIN 32 402-51:2017
+(German Industrial Norm).
+}
+\details{
+The point-to-point slope method is based on the assumption that the slope
+between two points should not vary greatly within the linear range.
+
+The curvature method is similar to the point-to-point slope method. Here,
+the ratio between the instrument signal and the concentration of the
+calibration standard is assumed not to vary greatly within the linear range.
+
+The use of the Mandel test is discouraged due to its limitations in the
+identification of non-linear behaviour of calibration curves (Andrade and
+Gomes-Carracedo, 2013).
+}
+\examples{
+data(din32645)
+# Point-to-point slope plot
+linearity(din32645$x, din32645$y, method = "slope")
+
+# Curvature plot
+linearity(din32645$x, din32645$y, method = "curvature", tolerance = 0.2)
+
+}
+\references{
+ISO 8466-1:2021. Water quality — Calibration and evaluation of
+analytical methods — Part 1: Linear calibration function
+
+J. M. Andrade and M. P. Gomez-Carracedo (2013) Notes on the use of
+Mandel's test to check for nonlinearity in laboratory calibrations.
+Analytical Methods 5(5), 1145 - 1149.
+}
+\author{
+Anil Axel Tellbüscher
+}