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authorJohannes Ranke <johannes.ranke@jrwb.de>2025-01-22 17:14:04 +0100
committerJohannes Ranke <johannes.ranke@jrwb.de>2025-01-22 17:14:04 +0100
commitc7b841c93dc2f3228dfe65ebd3bdd7a7f546fb96 (patch)
tree80e188b68b1fafd1ed100ee121397938fb8d2a91
parentcfcd58348dc8cbf7010231bfe902867bb30a8b3f (diff)
Satisfy R CMD check
- Depend on R >= 3.5.0, because the format used for the data is not known to earlier R versions - Rename the datasets from `test` to their proper name
-rw-r--r--DESCRIPTION3
-rw-r--r--R/chemCal-package.R20
-rw-r--r--check.log29
-rw-r--r--data/din38402b1.rdabin332 -> 337 bytes
-rw-r--r--data/din38402b3.rdabin274 -> 281 bytes
-rw-r--r--data/din38402b6.rdabin269 -> 275 bytes
-rw-r--r--data/din38402c3.rdabin272 -> 277 bytes
-rw-r--r--man/din32645.Rd3
-rw-r--r--man/din38402b1.Rd3
-rw-r--r--man/din38402b3.Rd3
-rw-r--r--man/din38402b6.Rd3
-rw-r--r--man/din38402c3.Rd3
-rw-r--r--man/linearity.Rd10
-rw-r--r--man/massart97ex1.Rd3
-rw-r--r--man/massart97ex3.Rd3
-rw-r--r--man/rl95_cadmium.Rd3
-rw-r--r--man/rl95_toluene.Rd3
-rw-r--r--man/utstats14.Rd3
18 files changed, 63 insertions, 29 deletions
diff --git a/DESCRIPTION b/DESCRIPTION
index 2b680b9..de910c5 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -1,10 +1,11 @@
Package: chemCal
Version: 0.2.3.9000
-Date: 2024-11-17
+Date: 2025-01-25
Title: Calibration Functions for Analytical Chemistry
Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
email = "johannes.ranke@jrwb.de",
comment = c(ORCID = "0000-0003-4371-6538")))
+Depends: R (>= 3.5.0)
Suggests: MASS, knitr, testthat, investr, covr, rmarkdown
Description: Simple functions for plotting linear
calibration functions and estimating standard errors for measurements
diff --git a/R/chemCal-package.R b/R/chemCal-package.R
index 08c2ebc..54ab190 100644
--- a/R/chemCal-package.R
+++ b/R/chemCal-package.R
@@ -54,7 +54,7 @@
#' # LQ = 3.04 * LC (Currie 1999, p. 120)
#' 3.04 * lod(m, alpha = 0.01, beta = 0.5)$x
#'
-NULL
+"din32645"
@@ -72,7 +72,7 @@ NULL
#' Lewi, P.J., Smeyers-Verbeke, J. (1997) Handbook of Chemometrics and
#' Qualimetrics: Part A, Chapter 8.
#' @keywords datasets
-NULL
+"massart97ex1"
@@ -128,7 +128,7 @@ NULL
#' # of 15, but the graphical procedure of Massart (p. 201) to derive the
#' # variances on which the weights are based is quite inaccurate anyway.
#'
-NULL
+"massart97ex3"
@@ -147,7 +147,7 @@ NULL
#' @source Rocke, David M. und Lorenzato, Stefan (1995) A two-component model
#' for measurement error in analytical chemistry. Technometrics 37(2), 176-184.
#' @keywords datasets
-NULL
+"rl95_cadmium"
@@ -167,7 +167,7 @@ NULL
#' @source Rocke, David M. und Lorenzato, Stefan (1995) A two-component model
#' for measurement error in analytical chemistry. Technometrics 37(2), 176-184.
#' @keywords datasets
-NULL
+"rl95_toluene"
@@ -188,7 +188,7 @@ NULL
#' Toronto.
#' \url{https://sites.chem.utoronto.ca/chemistry/coursenotes/analsci/stats/index.html}
#' @keywords datasets
-NULL
+"utstats14"
@@ -207,7 +207,7 @@ NULL
#' @references DIN 38402-51:2017-05, Beuth Verlag, Berlin.
#' https://dx.doi.org/10.31030/2657448
#' @keywords datasets
-NULL
+"din38402b1"
@@ -227,7 +227,7 @@ NULL
#' @references DIN 38402-51:2017-05, Beuth Verlag, Berlin.
#' https://dx.doi.org/10.31030/2657448
#' @keywords datasets
-NULL
+"din38402b3"
@@ -246,7 +246,7 @@ NULL
#' @references DIN 38402-51:2017-05, Beuth Verlag, Berlin.
#' https://dx.doi.org/10.31030/2657448
#' @keywords datasets
-NULL
+"din38402b6"
@@ -264,5 +264,5 @@ NULL
#' @references DIN 38402-51:2017-05, Beuth Verlag, Berlin.
#' https://dx.doi.org/10.31030/2657448
#' @keywords datasets
-NULL
+"din38402c3"
diff --git a/check.log b/check.log
index 60e9e39..fdc71ef 100644
--- a/check.log
+++ b/check.log
@@ -1,18 +1,19 @@
* using log directory ‘/home/jranke/git/chemCal/chemCal.Rcheck’
-* using R version 4.1.3 (2022-03-10)
-* using platform: x86_64-pc-linux-gnu (64-bit)
+* using R version 4.4.2 (2024-10-31)
+* using platform: x86_64-pc-linux-gnu
+* R was compiled by
+ gcc (Debian 12.2.0-14) 12.2.0
+ GNU Fortran (Debian 12.2.0-14) 12.2.0
+* running under: Debian GNU/Linux 12 (bookworm)
* using session charset: UTF-8
* using option ‘--as-cran’
* checking for file ‘chemCal/DESCRIPTION’ ... OK
-* this is package ‘chemCal’ version ‘0.2.3’
+* this is package ‘chemCal’ version ‘0.2.3.9000’
* package encoding: UTF-8
-* checking CRAN incoming feasibility ... NOTE
+* checking CRAN incoming feasibility ... [3s/15s] NOTE
Maintainer: ‘Johannes Ranke <johannes.ranke@jrwb.de>’
-New maintainer:
- Johannes Ranke <johannes.ranke@jrwb.de>
-Old maintainer(s):
- Johannes Ranke <jranke@uni-bremen.de>
+Version contains large components (0.2.3.9000)
* checking package namespace information ... OK
* checking package dependencies ... OK
* checking if this is a source package ... OK
@@ -21,18 +22,18 @@ Old maintainer(s):
* checking for hidden files and directories ... OK
* checking for portable file names ... OK
* checking for sufficient/correct file permissions ... OK
-* checking serialization versions ... OK
* checking whether package ‘chemCal’ can be installed ... OK
* checking installed package size ... OK
* checking package directory ... OK
-* checking for future file timestamps ... OK
+* checking for future file timestamps ... NOTE
+unable to verify current time
* checking ‘build’ directory ... OK
* checking DESCRIPTION meta-information ... OK
* checking top-level files ... OK
* checking for left-over files ... OK
* checking index information ... OK
* checking package subdirectories ... OK
-* checking R files for non-ASCII characters ... OK
+* checking code files for non-ASCII characters ... OK
* checking R files for syntax errors ... OK
* checking whether the package can be loaded ... OK
* checking whether the package can be loaded with stated dependencies ... OK
@@ -67,16 +68,16 @@ Old maintainer(s):
Running ‘testthat.R’
OK
* checking for unstated dependencies in vignettes ... OK
-* checking package vignettes in ‘inst/doc’ ... OK
+* checking package vignettes ... OK
* checking re-building of vignette outputs ... OK
* checking PDF version of manual ... OK
+* checking HTML version of manual ... OK
* checking for non-standard things in the check directory ... OK
* checking for detritus in the temp directory ... OK
* DONE
-Status: 1 NOTE
+Status: 2 NOTEs
See
‘/home/jranke/git/chemCal/chemCal.Rcheck/00check.log’
for details.
-
diff --git a/data/din38402b1.rda b/data/din38402b1.rda
index 9436f8a..ccaf554 100644
--- a/data/din38402b1.rda
+++ b/data/din38402b1.rda
Binary files differ
diff --git a/data/din38402b3.rda b/data/din38402b3.rda
index 699c76b..80e80e3 100644
--- a/data/din38402b3.rda
+++ b/data/din38402b3.rda
Binary files differ
diff --git a/data/din38402b6.rda b/data/din38402b6.rda
index 3b81120..def8f0e 100644
--- a/data/din38402b6.rda
+++ b/data/din38402b6.rda
Binary files differ
diff --git a/data/din38402c3.rda b/data/din38402c3.rda
index 7e83cf6..c4688ef 100644
--- a/data/din38402c3.rda
+++ b/data/din38402c3.rda
Binary files differ
diff --git a/man/din32645.Rd b/man/din32645.Rd
index a8e6a31..5b9603f 100644
--- a/man/din32645.Rd
+++ b/man/din32645.Rd
@@ -7,6 +7,9 @@
\format{
A dataframe containing 10 rows of x and y values.
}
+\usage{
+din32645
+}
\description{
Sample dataset to test the package.
}
diff --git a/man/din38402b1.Rd b/man/din38402b1.Rd
index 10ccddc..2c538b8 100644
--- a/man/din38402b1.Rd
+++ b/man/din38402b1.Rd
@@ -8,6 +8,9 @@
A tibble containing 12 concentration levels with the respective
instrument response values.
}
+\usage{
+din38402b1
+}
\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
diff --git a/man/din38402b3.Rd b/man/din38402b3.Rd
index b4b5504..83abd0f 100644
--- a/man/din38402b3.Rd
+++ b/man/din38402b3.Rd
@@ -8,6 +8,9 @@
A tibble containing 13 concentration levels and the respective
instrument response values.
}
+\usage{
+din38402b3
+}
\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
diff --git a/man/din38402b6.Rd b/man/din38402b6.Rd
index feb3577..289ee41 100644
--- a/man/din38402b6.Rd
+++ b/man/din38402b6.Rd
@@ -8,6 +8,9 @@
A tibble containing 12 concentration levels and the respective
instrument response values.
}
+\usage{
+din38402b6
+}
\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
diff --git a/man/din38402c3.Rd b/man/din38402c3.Rd
index 7c00999..e9ac83e 100644
--- a/man/din38402c3.Rd
+++ b/man/din38402c3.Rd
@@ -8,6 +8,9 @@
A tibble containing 10 concentration levels and the respective
response values.
}
+\usage{
+din38402c3
+}
\description{
Example dataset C.3 from DIN 38402 determined by ion chromatography.
Concentrations are reported in mg/L and the extinction as response.
diff --git a/man/linearity.Rd b/man/linearity.Rd
index aa3d857..52c2423 100644
--- a/man/linearity.Rd
+++ b/man/linearity.Rd
@@ -41,12 +41,14 @@ identification of non-linear behaviour of calibration curves (Andrade and
Gomes-Carracedo, 2013).
}
\examples{
-data(din32645)
+# Continuous Flow Analysis (CFA) data
+data(din38402b1)
+
# Point-to-point slope plot
-linearity(din32645$x, din32645$y, method = "slope")
+linearity(din38402b1$conc, din38402b1$ext, method = "slope")
# Curvature plot
-linearity(din32645$x, din32645$y, method = "curvature", tolerance = 0.2)
+linearity(din38402b1$conc, din38402b1$ext, method = "curvature")
}
\references{
@@ -58,5 +60,5 @@ Mandel's test to check for nonlinearity in laboratory calibrations.
Analytical Methods 5(5), 1145 - 1149.
}
\author{
-Anil Axel Tellbüscher
+Anıl Axel Tellbüscher
}
diff --git a/man/massart97ex1.Rd b/man/massart97ex1.Rd
index d154a9c..c49f416 100644
--- a/man/massart97ex1.Rd
+++ b/man/massart97ex1.Rd
@@ -12,6 +12,9 @@ Massart, L.M, Vandenginste, B.G.M., Buydens, L.M.C., De Jong, S.,
Lewi, P.J., Smeyers-Verbeke, J. (1997) Handbook of Chemometrics and
Qualimetrics: Part A, Chapter 8.
}
+\usage{
+massart97ex1
+}
\description{
Sample dataset from p. 175 to test the package.
}
diff --git a/man/massart97ex3.Rd b/man/massart97ex3.Rd
index 284a435..82d3191 100644
--- a/man/massart97ex3.Rd
+++ b/man/massart97ex3.Rd
@@ -13,6 +13,9 @@ Massart, L.M, Vandenginste, B.G.M., Buydens, L.M.C., De Jong, S.,
Lewi, P.J., Smeyers-Verbeke, J. (1997) Handbook of Chemometrics and
Qualimetrics: Part A, Chapter 8.
}
+\usage{
+massart97ex3
+}
\description{
Sample dataset from p. 188 to test the package.
}
diff --git a/man/rl95_cadmium.Rd b/man/rl95_cadmium.Rd
index 8e0b02c..db6a841 100644
--- a/man/rl95_cadmium.Rd
+++ b/man/rl95_cadmium.Rd
@@ -13,6 +13,9 @@ six calibration standards.
Rocke, David M. und Lorenzato, Stefan (1995) A two-component model
for measurement error in analytical chemistry. Technometrics 37(2), 176-184.
}
+\usage{
+rl95_cadmium
+}
\description{
Dataset reproduced from Table 1 in Rocke and Lorenzato (1995).
}
diff --git a/man/rl95_toluene.Rd b/man/rl95_toluene.Rd
index 1f8836a..2e0f3a5 100644
--- a/man/rl95_toluene.Rd
+++ b/man/rl95_toluene.Rd
@@ -12,6 +12,9 @@ six calibration standards.
Rocke, David M. und Lorenzato, Stefan (1995) A two-component model
for measurement error in analytical chemistry. Technometrics 37(2), 176-184.
}
+\usage{
+rl95_toluene
+}
\description{
Dataset reproduced from Table 4 in Rocke and Lorenzato (1995). The toluene
amount in the calibration samples is given in picograms per 100 µL.
diff --git a/man/utstats14.Rd b/man/utstats14.Rd
index 1b739d4..bb952ff 100644
--- a/man/utstats14.Rd
+++ b/man/utstats14.Rd
@@ -14,6 +14,9 @@ Tutorial website maintained by the Departments of Chemistry, University of
Toronto.
\url{https://sites.chem.utoronto.ca/chemistry/coursenotes/analsci/stats/index.html}
}
+\usage{
+utstats14
+}
\description{
Dataset read into R from
\url{https://sites.chem.utoronto.ca/chemistry/coursenotes/analsci/stats/files/example14.xls}.

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