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-rw-r--r--DESCRIPTION1
-rw-r--r--docs/authors.html28
-rw-r--r--docs/docsearch.css148
-rw-r--r--docs/docsearch.js85
-rw-r--r--docs/index.html33
-rw-r--r--docs/pkgdown.css50
-rw-r--r--docs/pkgdown.js160
-rw-r--r--docs/pkgdown.yml5
-rw-r--r--docs/reference/calplot.lm-1.pngbin69416 -> 73353 bytes
-rw-r--r--docs/reference/calplot.lm.html32
-rw-r--r--docs/reference/chemCal-package.html28
-rw-r--r--docs/reference/din32645-1.pngbin66191 -> 71727 bytes
-rw-r--r--docs/reference/din32645.html30
-rw-r--r--docs/reference/index.html164
-rw-r--r--docs/reference/inverse.predict.html30
-rw-r--r--docs/reference/lod.html32
-rw-r--r--docs/reference/loq.html32
-rw-r--r--docs/reference/massart97ex1.html28
-rw-r--r--docs/reference/massart97ex3-1.pngbin51775 -> 54164 bytes
-rw-r--r--docs/reference/massart97ex3.html30
20 files changed, 698 insertions, 218 deletions
diff --git a/DESCRIPTION b/DESCRIPTION
index 529b3c9..0664ad3 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -16,3 +16,4 @@ Description: Simple functions for plotting linear
License: GPL (>= 2)
URL: http://www.r-project.org,
http://chem.uft.uni-bremen.de/ranke/?page=chemCal, http://cgit.jrwb.de/chemCal
+RoxygenNote: 6.0.1
diff --git a/docs/authors.html b/docs/authors.html
index 0f55a98..c9890cd 100644
--- a/docs/authors.html
+++ b/docs/authors.html
@@ -21,13 +21,19 @@
<!-- clipboard.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
+
<!-- pkgdown -->
<link href="pkgdown.css" rel="stylesheet">
-<script src="jquery.sticky-kit.min.js"></script>
<script src="pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Authors" />
+
+
+
<!-- mathjax -->
<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
@@ -50,8 +56,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -65,6 +75,7 @@
<ul class="nav navbar-nav navbar-right">
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -72,15 +83,15 @@
</header>
- <div class="row">
- <div class="contents col-md-12">
+<div class="row">
+ <div class="contents col-md-9">
<div class="page-header">
<h1>Authors</h1>
</div>
<ul class="list-unstyled">
<li>
- <p><strong>Johannes Ranke</strong>. Author, maintainer, copyright holder. <a href='https://orcid.org/0000-0003-4371-6538' target='orcid.widget'><img src='https://members.orcid.org/sites/default/files/vector_iD_icon.svg' class='orcid'></a>
+ <p><strong>Johannes Ranke</strong>. Author, maintainer, copyright holder. <a href='https://orcid.org/0000-0003-4371-6538' target='orcid.widget'><img src='https://members.orcid.org/sites/default/files/vector_iD_icon.svg' class='orcid' height='16'></a>
</p>
</li>
</ul>
@@ -102,5 +113,8 @@
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/docsearch.css b/docs/docsearch.css
new file mode 100644
index 0000000..e5f1fe1
--- /dev/null
+++ b/docs/docsearch.css
@@ -0,0 +1,148 @@
+/* Docsearch -------------------------------------------------------------- */
+/*
+ Source: https://github.com/algolia/docsearch/
+ License: MIT
+*/
+
+.algolia-autocomplete {
+ display: block;
+ -webkit-box-flex: 1;
+ -ms-flex: 1;
+ flex: 1
+}
+
+.algolia-autocomplete .ds-dropdown-menu {
+ width: 100%;
+ min-width: none;
+ max-width: none;
+ padding: .75rem 0;
+ background-color: #fff;
+ background-clip: padding-box;
+ border: 1px solid rgba(0, 0, 0, .1);
+ box-shadow: 0 .5rem 1rem rgba(0, 0, 0, .175);
+}
+
+@media (min-width:768px) {
+ .algolia-autocomplete .ds-dropdown-menu {
+ width: 175%
+ }
+}
+
+.algolia-autocomplete .ds-dropdown-menu::before {
+ display: none
+}
+
+.algolia-autocomplete .ds-dropdown-menu [class^=ds-dataset-] {
+ padding: 0;
+ background-color: rgb(255,255,255);
+ border: 0;
+ max-height: 80vh;
+}
+
+.algolia-autocomplete .ds-dropdown-menu .ds-suggestions {
+ margin-top: 0
+}
+
+.algolia-autocomplete .algolia-docsearch-suggestion {
+ padding: 0;
+ overflow: visible
+}
+
+.algolia-autocomplete .algolia-docsearch-suggestion--category-header {
+ padding: .125rem 1rem;
+ margin-top: 0;
+ font-size: 1.3em;
+ font-weight: 500;
+ color: #00008B;
+ border-bottom: 0
+}
+
+.algolia-autocomplete .algolia-docsearch-suggestion--wrapper {
+ float: none;
+ padding-top: 0
+}
+
+.algolia-autocomplete .algolia-docsearch-suggestion--subcategory-column {
+ float: none;
+ width: auto;
+ padding: 0;
+ text-align: left
+}
+
+.algolia-autocomplete .algolia-docsearch-suggestion--content {
+ float: none;
+ width: auto;
+ padding: 0
+}
+
+.algolia-autocomplete .algolia-docsearch-suggestion--content::before {
+ display: none
+}
+
+.algolia-autocomplete .ds-suggestion:not(:first-child) .algolia-docsearch-suggestion--category-header {
+ padding-top: .75rem;
+ margin-top: .75rem;
+ border-top: 1px solid rgba(0, 0, 0, .1)
+}
+
+.algolia-autocomplete .ds-suggestion .algolia-docsearch-suggestion--subcategory-column {
+ display: block;
+ padding: .1rem 1rem;
+ margin-bottom: 0.1;
+ font-size: 1.0em;
+ font-weight: 400
+ /* display: none */
+}
+
+.algolia-autocomplete .algolia-docsearch-suggestion--title {
+ display: block;
+ padding: .25rem 1rem;
+ margin-bottom: 0;
+ font-size: 0.9em;
+ font-weight: 400
+}
+
+.algolia-autocomplete .algolia-docsearch-suggestion--text {
+ padding: 0 1rem .5rem;
+ margin-top: -.25rem;
+ font-size: 0.8em;
+ font-weight: 400;
+ line-height: 1.25
+}
+
+.algolia-autocomplete .algolia-docsearch-footer {
+ width: 110px;
+ height: 20px;
+ z-index: 3;
+ margin-top: 10.66667px;
+ float: right;
+ font-size: 0;
+ line-height: 0;
+}
+
+.algolia-autocomplete .algolia-docsearch-footer--logo {
+ background-image: url("data:image/svg+xml;utf8,<svg viewBox='0 0 130 18' xmlns='http://www.w3.org/2000/svg'><defs><linearGradient x1='-36.868%' y1='134.936%' x2='129.432%' y2='-27.7%' id='a'><stop stop-color='%2300AEFF' offset='0%'/><stop stop-color='%233369E7' offset='100%'/></linearGradient></defs><g fill='none' fill-rule='evenodd'><path d='M59.399.022h13.299a2.372 2.372 0 0 1 2.377 2.364V15.62a2.372 2.372 0 0 1-2.377 2.364H59.399a2.372 2.372 0 0 1-2.377-2.364V2.381A2.368 2.368 0 0 1 59.399.022z' fill='url(%23a)'/><path d='M66.257 4.56c-2.815 0-5.1 2.272-5.1 5.078 0 2.806 2.284 5.072 5.1 5.072 2.815 0 5.1-2.272 5.1-5.078 0-2.806-2.279-5.072-5.1-5.072zm0 8.652c-1.983 0-3.593-1.602-3.593-3.574 0-1.972 1.61-3.574 3.593-3.574 1.983 0 3.593 1.602 3.593 3.574a3.582 3.582 0 0 1-3.593 3.574zm0-6.418v2.664c0 .076.082.131.153.093l2.377-1.226c.055-.027.071-.093.044-.147a2.96 2.96 0 0 0-2.465-1.487c-.055 0-.11.044-.11.104l.001-.001zm-3.33-1.956l-.312-.311a.783.783 0 0 0-1.106 0l-.372.37a.773.773 0 0 0 0 1.101l.307.305c.049.049.121.038.164-.011.181-.245.378-.479.597-.697.225-.223.455-.42.707-.599.055-.033.06-.109.016-.158h-.001zm5.001-.806v-.616a.781.781 0 0 0-.783-.779h-1.824a.78.78 0 0 0-.783.779v.632c0 .071.066.12.137.104a5.736 5.736 0 0 1 1.588-.223c.52 0 1.035.071 1.534.207a.106.106 0 0 0 .131-.104z' fill='%23FFF'/><path d='M102.162 13.762c0 1.455-.372 2.517-1.123 3.193-.75.676-1.895 1.013-3.44 1.013-.564 0-1.736-.109-2.673-.316l.345-1.689c.783.163 1.819.207 2.361.207.86 0 1.473-.174 1.84-.523.367-.349.548-.866.548-1.553v-.349a6.374 6.374 0 0 1-.838.316 4.151 4.151 0 0 1-1.194.158 4.515 4.515 0 0 1-1.616-.278 3.385 3.385 0 0 1-1.254-.817 3.744 3.744 0 0 1-.811-1.351c-.192-.539-.29-1.504-.29-2.212 0-.665.104-1.498.307-2.054a3.925 3.925 0 0 1 .904-1.433 4.124 4.124 0 0 1 1.441-.926 5.31 5.31 0 0 1 1.945-.365c.696 0 1.337.087 1.961.191a15.86 15.86 0 0 1 1.588.332v8.456h-.001zm-5.954-4.206c0 .893.197 1.885.592 2.299.394.414.904.621 1.528.621.34 0 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+ background-repeat: no-repeat;
+ background-position: 50%;
+ background-size: 100%;
+ overflow: hidden;
+ text-indent: -9000px;
+ width: 100%;
+ height: 100%;
+ display: block;
+ transform: translate(-8px);
+}
+
+.algolia-autocomplete .algolia-docsearch-suggestion--highlight {
+ color: #FF8C00;
+ background: rgba(232, 189, 54, 0.1)
+}
+
+
+.algolia-autocomplete .algolia-docsearch-suggestion--text .algolia-docsearch-suggestion--highlight {
+ box-shadow: inset 0 -2px 0 0 rgba(105, 105, 105, .5)
+}
+
+.algolia-autocomplete .ds-suggestion.ds-cursor .algolia-docsearch-suggestion--content {
+ background-color: rgba(192, 192, 192, .15)
+}
diff --git a/docs/docsearch.js b/docs/docsearch.js
new file mode 100644
index 0000000..b35504c
--- /dev/null
+++ b/docs/docsearch.js
@@ -0,0 +1,85 @@
+$(function() {
+
+ // register a handler to move the focus to the search bar
+ // upon pressing shift + "/" (i.e. "?")
+ $(document).on('keydown', function(e) {
+ if (e.shiftKey && e.keyCode == 191) {
+ e.preventDefault();
+ $("#search-input").focus();
+ }
+ });
+
+ $(document).ready(function() {
+ // do keyword highlighting
+ /* modified from https://jsfiddle.net/julmot/bL6bb5oo/ */
+ var mark = function() {
+
+ var referrer = document.URL ;
+ var paramKey = "q" ;
+
+ if (referrer.indexOf("?") !== -1) {
+ var qs = referrer.substr(referrer.indexOf('?') + 1);
+ var qs_noanchor = qs.split('#')[0];
+ var qsa = qs_noanchor.split('&');
+ var keyword = "";
+
+ for (var i = 0; i < qsa.length; i++) {
+ var currentParam = qsa[i].split('=');
+
+ if (currentParam.length !== 2) {
+ continue;
+ }
+
+ if (currentParam[0] == paramKey) {
+ keyword = decodeURIComponent(currentParam[1].replace(/\+/g, "%20"));
+ }
+ }
+
+ if (keyword !== "") {
+ $(".contents").unmark({
+ done: function() {
+ $(".contents").mark(keyword);
+ }
+ });
+ }
+ }
+ };
+
+ mark();
+ });
+});
+
+/* Search term highlighting ------------------------------*/
+
+function matchedWords(hit) {
+ var words = [];
+
+ var hierarchy = hit._highlightResult.hierarchy;
+ // loop to fetch from lvl0, lvl1, etc.
+ for (var idx in hierarchy) {
+ words = words.concat(hierarchy[idx].matchedWords);
+ }
+
+ var content = hit._highlightResult.content;
+ if (content) {
+ words = words.concat(content.matchedWords);
+ }
+
+ // return unique words
+ var words_uniq = [...new Set(words)];
+ return words_uniq;
+}
+
+function updateHitURL(hit) {
+
+ var words = matchedWords(hit);
+ var url = "";
+
+ if (hit.anchor) {
+ url = hit.url_without_anchor + '?q=' + escape(words.join(" ")) + '#' + hit.anchor;
+ } else {
+ url = hit.url + '?q=' + escape(words.join(" "));
+ }
+
+ return url;
+}
diff --git a/docs/index.html b/docs/index.html
index f4c1357..6205aa1 100644
--- a/docs/index.html
+++ b/docs/index.html
@@ -8,8 +8,8 @@
<title>Calibration Functions for Analytical Chemistry • chemCal</title>
<!-- jquery --><script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script><!-- Bootstrap --><link href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script><!-- Font Awesome icons --><link href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous">
-<!-- clipboard.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script><!-- pkgdown --><link href="pkgdown.css" rel="stylesheet">
-<script src="jquery.sticky-kit.min.js"></script><script src="pkgdown.js"></script><meta property="og:title" content="Calibration Functions for Analytical Chemistry">
+<!-- clipboard.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script><!-- sticky kit --><script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script><!-- pkgdown --><link href="pkgdown.css" rel="stylesheet">
+<script src="pkgdown.js"></script><meta property="og:title" content="Calibration Functions for Analytical Chemistry">
<meta property="og:description" content="Simple functions for plotting linear
calibration functions and estimating standard errors for measurements
according to the Handbook of Chemometrics and Qualimetrics: Part A
@@ -33,8 +33,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -64,23 +68,36 @@
</div>
<div class="col-md-3" id="sidebar">
- <h2>Links</h2>
+ <div class="links">
+<h2>Links</h2>
<ul class="list-unstyled">
-<li>Download from CRAN at <br><a href="https://cran.r-project.org/package=chemCal">https://​cran.r-project.org/​package=chemCal</a>
+<li>Download from CRAN at <br><a href="https://cloud.r-project.org/package=chemCal">https://​cloud.r-project.org/​package=chemCal</a>
+</li>
+<li>Report a bug at <br><a href="NA">NA</a>
</li>
</ul>
+</div>
+<div class="license">
<h2>License</h2>
-<p>GPL (&gt;= 2)</p>
+<ul class="list-unstyled">
+<li>GPL (&gt;= 2)</li>
+</ul>
+</div>
+<div class="developers">
<h2>Developers</h2>
<ul class="list-unstyled">
-<li>Johannes Ranke <br><small class="roles"> Author, maintainer, copyright holder </small> <a href="https://orcid.org/0000-0003-4371-6538" target="orcid.widget"><img src="https://members.orcid.org/sites/default/files/vector_iD_icon.svg" class="orcid"></a> </li>
+<li>Johannes Ranke <br><small class="roles"> Author, maintainer, copyright holder </small> <a href="https://orcid.org/0000-0003-4371-6538" target="orcid.widget"><img src="https://members.orcid.org/sites/default/files/vector_iD_icon.svg" class="orcid" height="16"></a> </li>
</ul>
+</div>
+
+ <div class="dev-status">
<h2>Dev status</h2>
<ul class="list-unstyled">
<li><a href="https://cran.r-project.org/package=chemCal"><img src="https://www.r-pkg.org/badges/version/chemCal"></a></li>
</ul>
</div>
</div>
+</div>
<footer><div class="copyright">
@@ -94,5 +111,7 @@
</footer>
</div>
+
+
</body>
</html>
diff --git a/docs/pkgdown.css b/docs/pkgdown.css
index 181fe63..6ca2f37 100644
--- a/docs/pkgdown.css
+++ b/docs/pkgdown.css
@@ -1,13 +1,32 @@
-/* Sticker footer */
+/* Sticky footer */
+
+/**
+ * Basic idea: https://philipwalton.github.io/solved-by-flexbox/demos/sticky-footer/
+ * Details: https://github.com/philipwalton/solved-by-flexbox/blob/master/assets/css/components/site.css
+ *
+ * .Site -> body > .container
+ * .Site-content -> body > .container .row
+ * .footer -> footer
+ *
+ * Key idea seems to be to ensure that .container and __all its parents__
+ * have height set to 100%
+ *
+ */
+
+html, body {
+ height: 100%;
+}
+
body > .container {
display: flex;
- padding-top: 60px;
- min-height: calc(100vh);
+ height: 100%;
flex-direction: column;
+
+ padding-top: 60px;
}
body > .container .row {
- flex: 1;
+ flex: 1 0 auto;
}
footer {
@@ -16,6 +35,7 @@ footer {
border-top: 1px solid #e5e5e5;
color: #666;
display: flex;
+ flex-shrink: 0;
}
footer p {
margin-bottom: 0;
@@ -38,6 +58,12 @@ img {
max-width: 100%;
}
+/* Typographic tweaking ---------------------------------*/
+
+.contents h1.page-header {
+ margin-top: calc(-60px + 1em);
+}
+
/* Section anchors ---------------------------------*/
a.anchor {
@@ -68,7 +94,7 @@ a.anchor {
.contents h1, .contents h2, .contents h3, .contents h4 {
padding-top: 60px;
- margin-top: -60px;
+ margin-top: -40px;
}
/* Static header placement on mobile devices */
@@ -108,7 +134,6 @@ a.anchor {
/* Reference index & topics ----------------------------------------------- */
.ref-index th {font-weight: normal;}
-.ref-index h2 {font-size: 20px;}
.ref-index td {vertical-align: top;}
.ref-index .alias {width: 40%;}
@@ -192,3 +217,16 @@ a.sourceLine:hover {
.hasCopyButton:hover button.btn-copy-ex {
visibility: visible;
}
+
+/* mark.js ----------------------------*/
+
+mark {
+ background-color: rgba(255, 255, 51, 0.5);
+ border-bottom: 2px solid rgba(255, 153, 51, 0.3);
+ padding: 1px;
+}
+
+/* vertical spacing after htmlwidgets */
+.html-widget {
+ margin-bottom: 10px;
+}
diff --git a/docs/pkgdown.js b/docs/pkgdown.js
index 64b20df..de9bd72 100644
--- a/docs/pkgdown.js
+++ b/docs/pkgdown.js
@@ -1,94 +1,110 @@
-$(function() {
-
- $("#sidebar")
- .stick_in_parent({offset_top: 40})
- .on('sticky_kit:bottom', function(e) {
- $(this).parent().css('position', 'static');
- })
- .on('sticky_kit:unbottom', function(e) {
- $(this).parent().css('position', 'relative');
+/* http://gregfranko.com/blog/jquery-best-practices/ */
+(function($) {
+ $(function() {
+
+ $("#sidebar")
+ .stick_in_parent({offset_top: 40})
+ .on('sticky_kit:bottom', function(e) {
+ $(this).parent().css('position', 'static');
+ })
+ .on('sticky_kit:unbottom', function(e) {
+ $(this).parent().css('position', 'relative');
+ });
+
+ $('body').scrollspy({
+ target: '#sidebar',
+ offset: 60
});
- $('body').scrollspy({
- target: '#sidebar',
- offset: 60
- });
+ $('[data-toggle="tooltip"]').tooltip();
+
+ var cur_path = paths(location.pathname);
+ var links = $("#navbar ul li a");
+ var max_length = -1;
+ var pos = -1;
+ for (var i = 0; i < links.length; i++) {
+ if (links[i].getAttribute("href") === "#")
+ continue;
+ var path = paths(links[i].pathname);
+
+ var length = prefix_length(cur_path, path);
+ if (length > max_length) {
+ max_length = length;
+ pos = i;
+ }
+ }
- var cur_path = paths(location.pathname);
- $("#navbar ul li a").each(function(index, value) {
- if (value.text == "Home")
- return;
- if (value.getAttribute("href") === "#")
- return;
-
- var path = paths(value.pathname);
- if (is_prefix(cur_path, path)) {
- // Add class to parent <li>, and enclosing <li> if in dropdown
- var menu_anchor = $(value);
+ // Add class to parent <li>, and enclosing <li> if in dropdown
+ if (pos >= 0) {
+ var menu_anchor = $(links[pos]);
menu_anchor.parent().addClass("active");
menu_anchor.closest("li.dropdown").addClass("active");
}
});
-});
-function paths(pathname) {
- var pieces = pathname.split("/");
- pieces.shift(); // always starts with /
+ function paths(pathname) {
+ var pieces = pathname.split("/");
+ pieces.shift(); // always starts with /
+
+ var end = pieces[pieces.length - 1];
+ if (end === "index.html" || end === "")
+ pieces.pop();
+ return(pieces);
+ }
- var end = pieces[pieces.length - 1];
- if (end === "index.html" || end === "")
- pieces.pop();
- return(pieces);
-}
+ function prefix_length(needle, haystack) {
+ if (needle.length > haystack.length)
+ return(0);
-function is_prefix(needle, haystack) {
- if (needle.length > haystack.lengh)
- return(false);
+ // Special case for length-0 haystack, since for loop won't run
+ if (haystack.length === 0) {
+ return(needle.length === 0 ? 1 : 0);
+ }
- for (var i = 0; i < haystack.length; i++) {
- if (needle[i] != haystack[i])
- return(false);
- }
+ for (var i = 0; i < haystack.length; i++) {
+ if (needle[i] != haystack[i])
+ return(i);
+ }
- return(true);
-}
+ return(haystack.length);
+ }
-/* Clipboard --------------------------*/
+ /* Clipboard --------------------------*/
-function changeTooltipMessage(element, msg) {
- var tooltipOriginalTitle=element.getAttribute('data-original-title');
- element.setAttribute('data-original-title', msg);
- $(element).tooltip('show');
- element.setAttribute('data-original-title', tooltipOriginalTitle);
-}
+ function changeTooltipMessage(element, msg) {
+ var tooltipOriginalTitle=element.getAttribute('data-original-title');
+ element.setAttribute('data-original-title', msg);
+ $(element).tooltip('show');
+ element.setAttribute('data-original-title', tooltipOriginalTitle);
+ }
-if(Clipboard.isSupported()) {
- $(document).ready(function() {
- var copyButton = "<button type='button' class='btn btn-primary btn-copy-ex' type = 'submit' title='Copy to clipboard' aria-hidden='true' data-toggle='tooltip' data-placement='left auto' data-trigger='hover' data-clipboard-copy><i class='fa fa-copy' aria-hidden='true'></i></button>";
+ if(Clipboard.isSupported()) {
+ $(document).ready(function() {
+ var copyButton = "<button type='button' class='btn btn-primary btn-copy-ex' type = 'submit' title='Copy to clipboard' aria-hidden='true' data-toggle='tooltip' data-placement='left auto' data-trigger='hover' data-clipboard-copy><i class='fa fa-copy' aria-hidden='true'></i></button>";
- $(".examples").addClass("hasCopyButton");
+ $(".examples, div.sourceCode").addClass("hasCopyButton");
- // Insert copy buttons:
- $(copyButton).prependTo(".hasCopyButton");
+ // Insert copy buttons:
+ $(copyButton).prependTo(".hasCopyButton");
- // Initialize tooltips:
- $('.btn-copy-ex').tooltip({container: 'body'});
+ // Initialize tooltips:
+ $('.btn-copy-ex').tooltip({container: 'body'});
- // Initialize clipboard:
- var clipboardBtnCopies = new Clipboard('[data-clipboard-copy]', {
- text: function(trigger) {
- return trigger.parentNode.textContent;
- }
- });
+ // Initialize clipboard:
+ var clipboardBtnCopies = new Clipboard('[data-clipboard-copy]', {
+ text: function(trigger) {
+ return trigger.parentNode.textContent;
+ }
+ });
- clipboardBtnCopies.on('success', function(e) {
- changeTooltipMessage(e.trigger, 'Copied!');
- e.clearSelection();
- });
+ clipboardBtnCopies.on('success', function(e) {
+ changeTooltipMessage(e.trigger, 'Copied!');
+ e.clearSelection();
+ });
- clipboardBtnCopies.on('error', function() {
- changeTooltipMessage(e.trigger,'Press Ctrl+C or Command+C to copy');
+ clipboardBtnCopies.on('error', function() {
+ changeTooltipMessage(e.trigger,'Press Ctrl+C or Command+C to copy');
+ });
});
- });
-}
-
+ }
+})(window.jQuery || window.$)
diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml
new file mode 100644
index 0000000..6e67788
--- /dev/null
+++ b/docs/pkgdown.yml
@@ -0,0 +1,5 @@
+pandoc: 1.19.2.4
+pkgdown: 1.1.0
+pkgdown_sha: ~
+articles: []
+
diff --git a/docs/reference/calplot.lm-1.png b/docs/reference/calplot.lm-1.png
index c90b25f..aa0286d 100644
--- a/docs/reference/calplot.lm-1.png
+++ b/docs/reference/calplot.lm-1.png
Binary files differ
diff --git a/docs/reference/calplot.lm.html b/docs/reference/calplot.lm.html
index 910e4ea..7eda066 100644
--- a/docs/reference/calplot.lm.html
+++ b/docs/reference/calplot.lm.html
@@ -21,17 +21,23 @@
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<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
+
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Plot calibration graphs from univariate linear models — calplot" />
<meta property="og:description" content="Produce graphics of calibration data, the fitted model as well
as confidence, and, for unweighted regression, prediction bands." />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
@@ -54,8 +60,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="../index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -69,6 +79,7 @@
<ul class="nav navbar-nav navbar-right">
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -76,21 +87,25 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Plot calibration graphs from univariate linear models</h1>
+
+ <div class="hidden name"><code>calplot.lm.Rd</code></div>
</div>
+ <div class="ref-description">
<p>Produce graphics of calibration data, the fitted model as well
as confidence, and, for unweighted regression, prediction bands.</p>
+ </div>
<pre class="usage"><span class='fu'>calplot</span>(<span class='no'>object</span>, <span class='kw'>xlim</span> <span class='kw'>=</span> <span class='fu'>c</span>(<span class='st'>"auto"</span>, <span class='st'>"auto"</span>), <span class='kw'>ylim</span> <span class='kw'>=</span> <span class='fu'>c</span>(<span class='st'>"auto"</span>, <span class='st'>"auto"</span>),
<span class='kw'>xlab</span> <span class='kw'>=</span> <span class='st'>"Concentration"</span>, <span class='kw'>ylab</span> <span class='kw'>=</span> <span class='st'>"Response"</span>, <span class='kw'>alpha</span><span class='kw'>=</span><span class='fl'>0.05</span>, <span class='kw'>varfunc</span> <span class='kw'>=</span> <span class='kw'>NULL</span>)</pre>
- <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+ <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>
<table class="ref-arguments">
<colgroup><col class="name" /><col class="desc" /></colgroup>
<tr>
@@ -149,7 +164,7 @@
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
<pre class="examples"><div class='input'><span class='fu'>data</span>(<span class='no'>massart97ex3</span>)
<span class='no'>m</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='no'>massart97ex3</span>)
-<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='img'><img src='calplot.lm-1.png' alt='' width='700' height='432.632880098887' /></div></pre>
+<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='img'><img src='calplot.lm-1.png' alt='' width='700' height='433' /></div></pre>
</div>
<div class="col-md-3 hidden-xs hidden-sm" id="sidebar">
<h2>Contents</h2>
@@ -184,5 +199,8 @@
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/chemCal-package.html b/docs/reference/chemCal-package.html
index ee92d84..8e6f39b 100644
--- a/docs/reference/chemCal-package.html
+++ b/docs/reference/chemCal-package.html
@@ -21,16 +21,22 @@
<!-- clipboard.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
+
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Calibration functions for analytical chemistry — chemCal-package" />
<meta property="og:description" content="See ../DESCRIPTION" />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
@@ -53,8 +59,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="../index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -68,6 +78,7 @@
<ul class="nav navbar-nav navbar-right">
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -75,15 +86,19 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Calibration functions for analytical chemistry</h1>
+
+ <div class="hidden name"><code>chemCal-package.Rd</code></div>
</div>
+ <div class="ref-description">
<p>See <a href='../DESCRIPTION'>../DESCRIPTION</a></p>
+ </div>
<h2 class="hasAnchor" id="details"><a class="anchor" href="#details"></a>Details</h2>
@@ -118,5 +133,8 @@
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/din32645-1.png b/docs/reference/din32645-1.png
index d04e5fe..9dc7295 100644
--- a/docs/reference/din32645-1.png
+++ b/docs/reference/din32645-1.png
Binary files differ
diff --git a/docs/reference/din32645.html b/docs/reference/din32645.html
index 5e2bf2d..03170e0 100644
--- a/docs/reference/din32645.html
+++ b/docs/reference/din32645.html
@@ -21,16 +21,22 @@
<!-- clipboard.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
+
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Calibration data from DIN 32645 — din32645" />
<meta property="og:description" content="Sample dataset to test the package." />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
@@ -53,8 +59,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="../index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -68,6 +78,7 @@
<ul class="nav navbar-nav navbar-right">
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -75,15 +86,19 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Calibration data from DIN 32645</h1>
+
+ <div class="hidden name"><code>din32645.Rd</code></div>
</div>
+ <div class="ref-description">
<p>Sample dataset to test the package.</p>
+ </div>
<pre class="usage"><span class='fu'>data</span>(<span class='no'>din32645</span>)</pre>
@@ -105,7 +120,7 @@
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
<pre class="examples"><div class='input'><span class='fu'>data</span>(<span class='no'>din32645</span>)
<span class='no'>m</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='no'>din32645</span>)
-<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='img'><img src='din32645-1.png' alt='' width='700' height='432.632880098887' /></div><div class='input'>
+<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='img'><img src='din32645-1.png' alt='' width='700' height='433' /></div><div class='input'>
<span class='co'>## Prediction of x with confidence interval</span>
(<span class='no'>prediction</span> <span class='kw'>&lt;-</span> <span class='fu'>inverse.predict</span>(<span class='no'>m</span>, <span class='fl'>3500</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>))</div><div class='output co'>#&gt; $Prediction
#&gt; [1] 0.1054792
@@ -180,5 +195,8 @@
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/index.html b/docs/reference/index.html
index 9b514f2..ce4f346 100644
--- a/docs/reference/index.html
+++ b/docs/reference/index.html
@@ -21,13 +21,19 @@
<!-- clipboard.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
+
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Function reference" />
+
+
+
<!-- mathjax -->
<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
@@ -50,8 +56,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="../index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -65,6 +75,7 @@
<ul class="nav navbar-nav navbar-right">
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -72,82 +83,78 @@
</header>
- <div class="row">
- <div class="col-md-9">
+<div class="row">
+ <div class="contents col-md-9">
<div class="page-header">
- <h1>
- Reference
- <small>version&nbsp;0.1-37.9001</small>
- </h1>
+ <h1>Reference</h1>
</div>
- <div class="contents">
- <table class="ref-index">
-
- <colgroup>
- <col class="alias" />
- <col class="title" />
- </colgroup>
-
- <tbody>
- <tr>
- <th colspan="2">
- <h2 id="section-all-functions" class="hasAnchor"><a href="#section-all-functions" class="anchor"></a>All functions</h2>
- <p class="section-desc"></p>
- </th>
- </tr>
- <tr>
- <!-- -->
- <td>
- <p><code><a href="calplot.lm.html">calplot</a></code> </p>
- </td>
- <td><p>Plot calibration graphs from univariate linear models</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="chemCal-package.html">chemCal-package</a></code> </p>
- </td>
- <td><p>Calibration functions for analytical chemistry</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="din32645.html">data</a></code> </p>
- </td>
- <td><p>Calibration data from DIN 32645</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="inverse.predict.html">inverse.predict</a></code> </p>
- </td>
- <td><p>Predict x from y for a linear calibration</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="lod.html">lod</a></code> </p>
- </td>
- <td><p>Estimate a limit of detection (LOD)</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="loq.html">loq</a></code> </p>
- </td>
- <td><p>Estimate a limit of quantification (LOQ)</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="massart97ex1.html">data</a></code> </p>
- </td>
- <td><p>Calibration data from Massart et al. (1997), example 1</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="massart97ex3.html">data</a></code> </p>
- </td>
- <td><p>Calibration data from Massart et al. (1997), example 3</p></td>
- </tr>
- </tbody>
- </table>
- </div>
+ <table class="ref-index">
+
+ <colgroup>
+
+ <col class="alias" />
+ <col class="title" />
+ </colgroup>
+
+ <tbody>
+ <tr>
+ <th colspan="2">
+ <h2 id="section-all-functions" class="hasAnchor"><a href="#section-all-functions" class="anchor"></a>All functions</h2>
+ <p class="section-desc"></p>
+ </th>
+ </tr>
+ <tr>
+
+ <td>
+ <p><code><a href="calplot.lm.html">calplot()</a></code> </p>
+ </td>
+ <td><p>Plot calibration graphs from univariate linear models</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="chemCal-package.html">chemCal-package</a></code> </p>
+ </td>
+ <td><p>Calibration functions for analytical chemistry</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="din32645.html">din32645</a></code> </p>
+ </td>
+ <td><p>Calibration data from DIN 32645</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="inverse.predict.html">inverse.predict()</a></code> </p>
+ </td>
+ <td><p>Predict x from y for a linear calibration</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="lod.html">lod()</a></code> </p>
+ </td>
+ <td><p>Estimate a limit of detection (LOD)</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="loq.html">loq()</a></code> </p>
+ </td>
+ <td><p>Estimate a limit of quantification (LOQ)</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="massart97ex1.html">massart97ex1</a></code> </p>
+ </td>
+ <td><p>Calibration data from Massart et al. (1997), example 1</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="massart97ex3.html">massart97ex3</a></code> </p>
+ </td>
+ <td><p>Calibration data from Massart et al. (1997), example 3</p></td>
+ </tr>
+ </tbody>
+ </table>
</div>
<div class="col-md-3 hidden-xs hidden-sm" id="sidebar">
@@ -170,5 +177,8 @@
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/inverse.predict.html b/docs/reference/inverse.predict.html
index 32f8f44..672e322 100644
--- a/docs/reference/inverse.predict.html
+++ b/docs/reference/inverse.predict.html
@@ -21,12 +21,15 @@
<!-- clipboard.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
+
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Predict x from y for a linear calibration — inverse.predict" />
<meta property="og:description" content="This function predicts x values using a univariate linear model that has been
@@ -40,6 +43,9 @@
differing from the precision in standard samples used for the calibration.
This is elaborated in the package vignette." />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
@@ -62,8 +68,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="../index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -77,6 +87,7 @@
<ul class="nav navbar-nav navbar-right">
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -84,12 +95,15 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Predict x from y for a linear calibration</h1>
+
+ <div class="hidden name"><code>inverse.predict.Rd</code></div>
</div>
+ <div class="ref-description">
<p>This function predicts x values using a univariate linear model that has been
generated for the purpose of calibrating a measurement method. Prediction
@@ -102,11 +116,12 @@
differing from the precision in standard samples used for the calibration.
This is elaborated in the package vignette.</p>
+ </div>
<pre class="usage">inverse.predict(object, newdata, &#8230;,
ws, alpha=0.05, var.s = "auto")</pre>
- <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+ <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>
<table class="ref-arguments">
<colgroup><col class="name" /><col class="desc" /></colgroup>
<tr>
@@ -226,5 +241,8 @@
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/lod.html b/docs/reference/lod.html
index 13ce70a..7519f19 100644
--- a/docs/reference/lod.html
+++ b/docs/reference/lod.html
@@ -21,12 +21,15 @@
<!-- clipboard.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
+
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Estimate a limit of detection (LOD) — lod" />
<meta property="og:description" content="The decision limit (German: Nachweisgrenze) is defined as the signal or
@@ -38,6 +41,9 @@
the analyte is present (type II or false negative error), is beta (also a
one-sided significance test)." />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
@@ -60,8 +66,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="../index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -75,6 +85,7 @@
<ul class="nav navbar-nav navbar-right">
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -82,12 +93,15 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Estimate a limit of detection (LOD)</h1>
+
+ <div class="hidden name"><code>lod.Rd</code></div>
</div>
+ <div class="ref-description">
<p>The decision limit (German: Nachweisgrenze) is defined as the signal or
analyte concentration that is significantly different from the blank signal
@@ -98,10 +112,11 @@
the analyte is present (type II or false negative error), is beta (also a
one-sided significance test).</p>
+ </div>
<pre class="usage">lod(object, &#8230;, alpha = 0.05, beta = 0.05, method = "default", tol = "default")</pre>
- <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+ <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>
<table class="ref-arguments">
<colgroup><col class="name" /><col class="desc" /></colgroup>
<tr>
@@ -169,7 +184,7 @@
<h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2>
- <p>Examples for <code>din32645</code></p>
+ <div class='dont-index'><p>Examples for <code>din32645</code></p></div>
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
@@ -223,5 +238,8 @@
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/loq.html b/docs/reference/loq.html
index 2fb01a8..09567db 100644
--- a/docs/reference/loq.html
+++ b/docs/reference/loq.html
@@ -21,12 +21,15 @@
<!-- clipboard.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
+
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Estimate a limit of quantification (LOQ) — loq" />
<meta property="og:description" content="The limit of quantification is the x value, where the relative error
@@ -37,6 +40,9 @@
(DIN 32645, equivalent to ISO 11843). c(L) is internally estimated by
inverse.predict, and L is obtained by iteration." />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
@@ -59,8 +65,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="../index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -74,6 +84,7 @@
<ul class="nav navbar-nav navbar-right">
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -81,12 +92,15 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Estimate a limit of quantification (LOQ)</h1>
+
+ <div class="hidden name"><code>loq.Rd</code></div>
</div>
+ <div class="ref-description">
<p>The limit of quantification is the x value, where the relative error
of the quantification given the calibration model reaches a prespecified
@@ -96,11 +110,12 @@
(DIN 32645, equivalent to ISO 11843). c(L) is internally estimated by
<code>inverse.predict</code>, and L is obtained by iteration.</p>
+ </div>
<pre class="usage">loq(object, &#8230;, alpha = 0.05, k = 3, n = 1, w.loq = "auto",
var.loq = "auto", tol = "default")</pre>
- <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+ <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>
<table class="ref-arguments">
<colgroup><col class="name" /><col class="desc" /></colgroup>
<tr>
@@ -165,7 +180,7 @@
<h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2>
- <p>Examples for <code>din32645</code></p>
+ <div class='dont-index'><p>Examples for <code>din32645</code></p></div>
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
@@ -217,5 +232,8 @@
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/massart97ex1.html b/docs/reference/massart97ex1.html
index 637d524..ddd1ce1 100644
--- a/docs/reference/massart97ex1.html
+++ b/docs/reference/massart97ex1.html
@@ -21,16 +21,22 @@
<!-- clipboard.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
+
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Calibration data from Massart et al. (1997), example 1 — massart97ex1" />
<meta property="og:description" content="Sample dataset from p. 175 to test the package." />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
@@ -53,8 +59,12 @@
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
- <a class="navbar-brand" href="../index.html">chemCal</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chemCal</a>
+ <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -68,6 +78,7 @@
<ul class="nav navbar-nav navbar-right">
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -75,15 +86,19 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Calibration data from Massart et al. (1997), example 1</h1>
+
+ <div class="hidden name"><code>massart97ex1.Rd</code></div>
</div>
+ <div class="ref-description">
<p>Sample dataset from p. 175 to test the package.</p>
+ </div>
<pre class="usage"><span class='fu'>data</span>(<span class='no'>massart97ex1</span>)</pre>
@@ -123,5 +138,8 @@
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/massart97ex3-1.png b/docs/reference/massart97ex3-1.png
index 88668fa..247eca0 100644
--- a/docs/reference/massart97ex3-1.png
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<h1>Calibration data from Massart et al. (1997), example 3</h1>
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<p>Sample dataset from p. 188 to test the package.</p>
+ </div>
<pre class="usage"><span class='fu'>data</span>(<span class='no'>massart97ex3</span>)</pre>
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<span class='no'>w</span> <span class='kw'>&lt;-</span> <span class='fu'>round</span>(<span class='fl'>1</span> / (<span class='no'>s</span>^<span class='fl'>2</span>), <span class='kw'>digits</span> <span class='kw'>=</span> <span class='fl'>3</span>)
<span class='no'>weights</span> <span class='kw'>&lt;-</span> <span class='no'>w</span>[<span class='fu'>factor</span>(<span class='no'>x</span>)]
<span class='no'>m</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>w</span> <span class='kw'>=</span> <span class='no'>weights</span>)
-<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Assuming constant prediction variance even though model fit is weighted</span></div><div class='img'><img src='massart97ex3-1.png' alt='' width='700' height='432.632880098887' /></div><div class='input'>
+<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Assuming constant prediction variance even though model fit is weighted</span></div><div class='img'><img src='massart97ex3-1.png' alt='' width='700' height='433' /></div><div class='input'>
<span class='co'># The following concords with the book p. 200</span>
<span class='fu'>inverse.predict</span>(<span class='no'>m</span>, <span class='fl'>15</span>, <span class='kw'>ws</span> <span class='kw'>=</span> <span class='fl'>1.67</span>) <span class='co'># 5.9 +- 2.5</span></div><div class='output co'>#&gt; $Prediction
#&gt; [1] 5.865367
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