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| -rw-r--r-- | DESCRIPTION | 5 | ||||
| -rw-r--r-- | docs/404.html | 2 | ||||
| -rw-r--r-- | docs/articles/chemCal.html | 4 | ||||
| -rw-r--r-- | docs/articles/index.html | 2 | ||||
| -rw-r--r-- | docs/authors.html | 2 | ||||
| -rw-r--r-- | docs/index.html | 2 | ||||
| -rw-r--r-- | docs/news/index.html | 2 | ||||
| -rw-r--r-- | docs/pkgdown.yml | 2 | ||||
| -rw-r--r-- | docs/reference/calplot.html | 2 | ||||
| -rw-r--r-- | docs/reference/din32645.html | 2 | ||||
| -rw-r--r-- | docs/reference/index.html | 2 | ||||
| -rw-r--r-- | docs/reference/inverse.predict.html | 2 | ||||
| -rw-r--r-- | docs/reference/lod.html | 15 | ||||
| -rw-r--r-- | docs/reference/loq.html | 13 | ||||
| -rw-r--r-- | docs/reference/massart97ex1.html | 2 | ||||
| -rw-r--r-- | docs/reference/massart97ex3.html | 2 | ||||
| -rw-r--r-- | docs/reference/rl95_cadmium.html | 2 | ||||
| -rw-r--r-- | docs/reference/rl95_toluene.html | 2 | ||||
| -rw-r--r-- | docs/reference/utstats14.html | 2 | ||||
| -rw-r--r-- | man/lod.Rd | 8 | ||||
| -rw-r--r-- | man/loq.Rd | 6 |
21 files changed, 44 insertions, 37 deletions
diff --git a/DESCRIPTION b/DESCRIPTION index 806d3d5..9961bec 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: chemCal -Version: 0.2.3 -Date: 2022-03-31 +Version: 0.2.3.9000 +Date: 2022-04-01 Title: Calibration Functions for Analytical Chemistry Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"), email = "johannes.ranke@jrwb.de", @@ -20,4 +20,5 @@ VignetteBuilder: knitr Encoding: UTF-8 BugReports: https://github.com/jranke/chemCal/issues URL: https://pkgdown.jrwb.de/chemCal/, https://cgit.jrwb.de/chemCal/about +Roxygen: list(markdown = TRUE) RoxygenNote: 7.1.2 diff --git a/docs/404.html b/docs/404.html index 9ea600b..b2a614e 100644 --- a/docs/404.html +++ b/docs/404.html @@ -32,7 +32,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/articles/chemCal.html b/docs/articles/chemCal.html index bbcc568..c3b1d44 100644 --- a/docs/articles/chemCal.html +++ b/docs/articles/chemCal.html @@ -33,7 +33,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> @@ -72,7 +72,7 @@ <h1 data-toc-skip>Introduction to chemCal</h1> <h4 data-toc-skip class="author">Johannes Ranke</h4> - <h4 data-toc-skip class="date">2022-03-31</h4> + <h4 data-toc-skip class="date">2022-04-01</h4> <small class="dont-index">Source: <a href="https://github.com/jranke/chemCal/blob/HEAD/vignettes/chemCal.Rmd" class="external-link"><code>vignettes/chemCal.Rmd</code></a></small> <div class="hidden name"><code>chemCal.Rmd</code></div> diff --git a/docs/articles/index.html b/docs/articles/index.html index 3e53fde..c9280ff 100644 --- a/docs/articles/index.html +++ b/docs/articles/index.html @@ -17,7 +17,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/authors.html b/docs/authors.html index 694eb5b..cad37a1 100644 --- a/docs/authors.html +++ b/docs/authors.html @@ -17,7 +17,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/index.html b/docs/index.html index 7882a73..7701233 100644 --- a/docs/index.html +++ b/docs/index.html @@ -39,7 +39,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/news/index.html b/docs/news/index.html index f422331..abecdea 100644 --- a/docs/news/index.html +++ b/docs/news/index.html @@ -17,7 +17,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml index 3c1d018..94a8afe 100644 --- a/docs/pkgdown.yml +++ b/docs/pkgdown.yml @@ -3,5 +3,5 @@ pkgdown: 2.0.2 pkgdown_sha: ~ articles: chemCal: chemCal.html -last_built: 2022-03-31T17:56Z +last_built: 2022-04-01T12:31Z diff --git a/docs/reference/calplot.html b/docs/reference/calplot.html index 88321b1..9702378 100644 --- a/docs/reference/calplot.html +++ b/docs/reference/calplot.html @@ -18,7 +18,7 @@ confidence, and, for unweighted regression, prediction bands."><!-- mathjax -->< </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/reference/din32645.html b/docs/reference/din32645.html index ba6246a..617741a 100644 --- a/docs/reference/din32645.html +++ b/docs/reference/din32645.html @@ -17,7 +17,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/reference/index.html b/docs/reference/index.html index 9812256..3d53d28 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -17,7 +17,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/reference/inverse.predict.html b/docs/reference/inverse.predict.html index 6fe081e..1207ab5 100644 --- a/docs/reference/inverse.predict.html +++ b/docs/reference/inverse.predict.html @@ -26,7 +26,7 @@ This is elaborated in the package vignette."><!-- mathjax --><script src="https: </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/reference/lod.html b/docs/reference/lod.html index 1fbae76..94e7bdc 100644 --- a/docs/reference/lod.html +++ b/docs/reference/lod.html @@ -24,7 +24,7 @@ significance test)."><!-- mathjax --><script src="https://cdnjs.cloudflare.com/a </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> @@ -110,14 +110,15 @@ limit of detection of a model used for calibration.</p> </div> <div id="note"> <h2>Note</h2> - <p>* The default values for alpha and beta are the ones recommended by IUPAC. -* The estimation of the LOD in terms of the analyte amount/concentration xD + +<ul><li><p>The default values for alpha and beta are the ones recommended by IUPAC.</p></li> +<li><p>The estimation of the LOD in terms of the analyte amount/concentration xD from the LOD in the signal domain SD is done by simply inverting the -calibration function (i.e. assuming a known calibration function). -* The calculation of a LOD from weighted calibration models requires a +calibration function (i.e. assuming a known calibration function).</p></li> +<li><p>The calculation of a LOD from weighted calibration models requires a weights argument for the internally used <code><a href="https://rdrr.io/r/stats/predict.lm.html" class="external-link">predict.lm</a></code> -function, which is currently not supported in R.</p> - </div> +function, which is currently not supported in R.</p></li> +</ul></div> <div id="references"> <h2>References</h2> <p>Massart, L.M, Vandenginste, B.G.M., Buydens, L.M.C., De Jong, diff --git a/docs/reference/loq.html b/docs/reference/loq.html index 86c8f43..cfe87cc 100644 --- a/docs/reference/loq.html +++ b/docs/reference/loq.html @@ -22,7 +22,7 @@ inverse.predict, and L is obtained by iteration."><!-- mathjax --><script src="h </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> @@ -117,11 +117,12 @@ calibration.</p> </div> <div id="note"> <h2>Note</h2> - <p>* IUPAC recommends to base the LOQ on the standard deviation of the -signal where x = 0. -* The calculation of a LOQ based on weighted regression is non-standard and -therefore not tested. Feedback is welcome.</p> - </div> + +<ul><li><p>IUPAC recommends to base the LOQ on the standard deviation of the +signal where x = 0.</p></li> +<li><p>The calculation of a LOQ based on weighted regression is non-standard and +therefore not tested. Feedback is welcome.</p></li> +</ul></div> <div id="see-also"> <h2>See also</h2> <div class="dont-index"><p>Examples for <code><a href="din32645.html">din32645</a></code></p></div> diff --git a/docs/reference/massart97ex1.html b/docs/reference/massart97ex1.html index a02dfe0..952297a 100644 --- a/docs/reference/massart97ex1.html +++ b/docs/reference/massart97ex1.html @@ -17,7 +17,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/reference/massart97ex3.html b/docs/reference/massart97ex3.html index 5cbdbd6..44f3b64 100644 --- a/docs/reference/massart97ex3.html +++ b/docs/reference/massart97ex3.html @@ -17,7 +17,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/reference/rl95_cadmium.html b/docs/reference/rl95_cadmium.html index 4ddb8e4..c56f64b 100644 --- a/docs/reference/rl95_cadmium.html +++ b/docs/reference/rl95_cadmium.html @@ -19,7 +19,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/reference/rl95_toluene.html b/docs/reference/rl95_toluene.html index 4c8c7d2..0419b49 100644 --- a/docs/reference/rl95_toluene.html +++ b/docs/reference/rl95_toluene.html @@ -19,7 +19,7 @@ Presumably this is the volume that was injected into the instrument."><!-- mathj </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> diff --git a/docs/reference/utstats14.html b/docs/reference/utstats14.html index 1ffc224..2ea31bf 100644 --- a/docs/reference/utstats14.html +++ b/docs/reference/utstats14.html @@ -18,7 +18,7 @@ https://sites.chem.utoronto.ca/chemistry/coursenotes/analsci/stats/files/example </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3.9000</span> </span> </div> @@ -52,14 +52,16 @@ is present (type II or false negative error), is beta (also a one-sided significance test). } \note{ -* The default values for alpha and beta are the ones recommended by IUPAC. -* The estimation of the LOD in terms of the analyte amount/concentration xD +\itemize{ +\item The default values for alpha and beta are the ones recommended by IUPAC. +\item The estimation of the LOD in terms of the analyte amount/concentration xD from the LOD in the signal domain SD is done by simply inverting the calibration function (i.e. assuming a known calibration function). -* The calculation of a LOD from weighted calibration models requires a +\item The calculation of a LOD from weighted calibration models requires a weights argument for the internally used \code{\link{predict.lm}} function, which is currently not supported in R. } +} \examples{ m <- lm(y ~ x, data = din32645) @@ -61,11 +61,13 @@ where c(L) is half of the length of the confidence interval at the limit L \code{\link{inverse.predict}}, and L is obtained by iteration. } \note{ -* IUPAC recommends to base the LOQ on the standard deviation of the +\itemize{ +\item IUPAC recommends to base the LOQ on the standard deviation of the signal where x = 0. -* The calculation of a LOQ based on weighted regression is non-standard and +\item The calculation of a LOQ based on weighted regression is non-standard and therefore not tested. Feedback is welcome. } +} \examples{ m <- lm(y ~ x, data = massart97ex1) |