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-rwxr-xr-xchm/00Index.html26
-rwxr-xr-xchm/Rchm.css25
-rwxr-xr-xchm/calplot.html94
-rwxr-xr-xchm/calpredict.html106
-rwxr-xr-xchm/chemCal.chmbin0 -> 25115 bytes
-rwxr-xr-xchm/chemCal.hhp17
-rwxr-xr-xchm/chemCal.toc51
-rwxr-xr-xchm/din32645.html44
-rwxr-xr-xchm/logo.jpgbin0 -> 8793 bytes
-rwxr-xr-xchm/pahCalibration.html48
10 files changed, 411 insertions, 0 deletions
diff --git a/chm/00Index.html b/chm/00Index.html
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+<html><head><title>Calibration for analytical chemistry</title>
+<link rel="stylesheet" type="text/css" href="Rchm.css">
+</head><body>
+<h1>Calibration for analytical chemistry
+<img class="toplogo" src="logo.jpg" alt="[R logo]"></h1>
+
+<hr>
+
+<object type="application/x-oleobject" classid="clsid:1e2a7bd0-dab9-11d0-b93a-00c04fc99f9e">
+<param name="keyword" value=".. contents">
+</object>
+
+<h2>Help pages for package `chemCal' version 0.01-2</h2>
+
+
+<table width="100%">
+<tr><td width="25%"><a href="calplot.html">calplot</a></td>
+<td>Plot calibration graphs</td></tr>
+<tr><td width="25%"><a href="calpredict.html">calpredict</a></td>
+<td>Estimate measurement results including confidence intervals</td></tr>
+<tr><td width="25%"><a href="din32645.html">din32645</a></td>
+<td>Calibration data from DIN 32645</td></tr>
+<tr><td width="25%"><a href="pahCalibration.html">pahCalibration</a></td>
+<td>Calibration data for HPLC measurement of 4 PAH</td></tr>
+</table>
+</body></html>
diff --git a/chm/Rchm.css b/chm/Rchm.css
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+BODY{ background: white;
+ color: black }
+
+A:link{ background: white;
+ color: blue }
+A:visited{ background: white;
+ color: rgb(50%, 0%, 50%) }
+
+H1{ background: white;
+ color: rgb(55%, 55%, 55%);
+ font-family: monospace;
+ font-size: large;
+ text-align: center }
+
+H2{ background: white;
+ color: rgb(0%, 0%, 100%);
+ font-family: monospace;
+ text-align: center }
+
+H3{ background: white;
+ color: rgb(40%, 40%, 40%);
+ font-family: monospace }
+
+IMG.toplogo{ vertical-align: middle }
+
diff --git a/chm/calplot.html b/chm/calplot.html
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+<html><head><title>Plot calibration graphs</title>
+<link rel="stylesheet" type="text/css" href="Rchm.css">
+</head>
+<body>
+
+<table width="100%"><tr><td>calplot(chemCal)</td><td align="right">R Documentation</td></tr></table><object type="application/x-oleobject" classid="clsid:1e2a7bd0-dab9-11d0-b93a-00c04fc99f9e">
+<param name="keyword" value="R: calplot">
+<param name="keyword" value=" Plot calibration graphs">
+</object>
+
+
+<h2>Plot calibration graphs</h2>
+
+
+<h3>Description</h3>
+
+<p>
+Produce graphics of calibration data, the fitted model as well
+as prediction and confidence intervals.
+</p>
+
+
+<h3>Usage</h3>
+
+<pre>
+ calplot(x,y,intercept=FALSE,measurand="substance x",xunit="mg/L",yunit="Area",level=0.95)
+</pre>
+
+
+<h3>Arguments</h3>
+
+<table summary="R argblock">
+<tr valign="top"><td><code>x</code></td>
+<td>
+A vector of x values.
+</td></tr>
+<tr valign="top"><td><code>y</code></td>
+<td>
+A vector of y values.
+</td></tr>
+<tr valign="top"><td><code>intercept</code></td>
+<td>
+A boolean describing if the calibration curve is to be forced
+through zero.
+</td></tr>
+<tr valign="top"><td><code>measurand</code></td>
+<td>
+The name of what is being measured as a character vector.
+</td></tr>
+<tr valign="top"><td><code>xunit</code></td>
+<td>
+The unit of the given values on the x axis as a character vector.
+</td></tr>
+<tr valign="top"><td><code>yunit</code></td>
+<td>
+The unit of the y axis as a character vector. Defaults to "Area".
+</td></tr>
+<tr valign="top"><td><code>level</code></td>
+<td>
+The confidence level of the confidence and prediction bands. Defaults to
+0.95.
+</td></tr>
+</table>
+
+<h3>Value</h3>
+
+<p>
+A linear model object for y ~ x. You will also get a plot of the calibration
+data, of your fitted model as well as lines showing the confidence limits and
+the prediction limits.</p>
+
+<h3>Author(s)</h3>
+
+<p>
+Johannes Ranke
+<a href="mailto:jranke@uni-bremen.de">jranke@uni-bremen.de</a>
+<a href="http://www.uft.uni-bremen.de/chemie/ranke">http://www.uft.uni-bremen.de/chemie/ranke</a>
+</p>
+
+
+<h3>Examples</h3>
+
+<pre>
+data(pahCalibration)
+attach(pahCalibration)
+## Not run: calplot(conc,phenanthrene,"Phenanthrene","mg/L")
+detach(pahCalibration)
+</pre>
+
+
+
+<hr><div align="center"><a href="00Index.html">[Package Contents]</a></div>
+
+</body></html>
diff --git a/chm/calpredict.html b/chm/calpredict.html
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+<html><head><title>Estimate measurement results including confidence intervals</title>
+<link rel="stylesheet" type="text/css" href="Rchm.css">
+</head>
+<body>
+
+<table width="100%"><tr><td>calpredict(chemCal)</td><td align="right">R Documentation</td></tr></table><object type="application/x-oleobject" classid="clsid:1e2a7bd0-dab9-11d0-b93a-00c04fc99f9e">
+<param name="keyword" value="R: calpredict">
+<param name="keyword" value=" Estimate measurement results including confidence intervals">
+</object>
+
+
+<h2>Estimate measurement results including confidence intervals</h2>
+
+
+<h3>Description</h3>
+
+<p>
+This function generates estimates for x values from y values, including
+a confidence interval for the x values. The formulas in this function used
+for prediction of concentrations from (replicate) measurements are taken from
+the "Handbook of Chemometrics and Qualimetrics Part A" by D. L. Massart,
+Vandeginste, B. G. M., Buydens, L. M. C., De Jong, S., Lewi, P. J. and
+Smeyers-Verbeke, J, Elsevier, Amsterdam, 1997 and from the EURACHEM/CITAC
+report on "Quantifying uncertainty in analytical measurement", 2000,
+pp. 111f.
+</p>
+
+
+<h3>Usage</h3>
+
+<pre>
+ calpredict(yobs,xi,yi,xunit="",level=0.95,intercept=FALSE,syobs=FALSE)
+</pre>
+
+
+<h3>Arguments</h3>
+
+<table summary="R argblock">
+<tr valign="top"><td><code>yobs</code></td>
+<td>
+A numeric vector containing the observed data.
+</td></tr>
+<tr valign="top"><td><code>xi</code></td>
+<td>
+A vector of x values of the calibration.
+</td></tr>
+<tr valign="top"><td><code>yi</code></td>
+<td>
+A vector of y values of the calibration.
+</td></tr>
+<tr valign="top"><td><code>xunit</code></td>
+<td>
+The unit of the given values on the x axis as a character string.
+</td></tr>
+<tr valign="top"><td><code>level</code></td>
+<td>
+The desired confidence level for the confidence interval of the
+estimates. Defaults to 0.95.
+</td></tr>
+<tr valign="top"><td><code>intercept</code></td>
+<td>
+Logical value determining if an intercept is to be fitted or not.
+Default is FALSE.
+</td></tr>
+<tr valign="top"><td><code>syobs</code></td>
+<td>
+If TRUE, a standard deviation for the given y values is
+calculated, and the resulting confidence interval will
+include this variability (not validated yet). If FALSE (default), this
+standard deviation is not included in the
+confidence interval. If a numeric value is given,
+it is used for the standard deviation of "real samples",
+in addition to the standard deviation of the y values
+in the calibration (also not validated yet).
+</td></tr>
+</table>
+
+<h3>Value</h3>
+
+<p>
+A list containing the estimate, its standard deviation and its
+confidence interval.</p>
+
+<h3>Author(s)</h3>
+
+<p>
+Johannes Ranke
+<a href="mailto:jranke@uni-bremen.de">jranke@uni-bremen.de</a>
+<a href="http://www.uft.uni-bremen.de/chemie/ranke">http://www.uft.uni-bremen.de/chemie/ranke</a>
+</p>
+
+
+<h3>Examples</h3>
+
+<pre>
+data(pahCalibration)
+attach(pahCalibration)
+y &lt;- c(51.2,51.4,51.1,51.8)
+estimate &lt;- calpredict(y,conc,acenaphthene,xunit="mg/L")
+</pre>
+
+
+
+<hr><div align="center"><a href="00Index.html">[Package Contents]</a></div>
+
+</body></html>
diff --git a/chm/chemCal.chm b/chm/chemCal.chm
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diff --git a/chm/chemCal.hhp b/chm/chemCal.hhp
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+[OPTIONS]
+Auto Index=Yes
+Contents file=chemCal.toc
+Compatibility=1.1 or later
+Compiled file=chemCal.chm
+Default topic=00Index.html
+Display compile progress=No
+Full-text search=Yes
+Full text search stop list file=..\..\..\gnuwin32\help\R.stp
+
+
+[FILES]
+00Index.html
+calplot.html
+calpredict.html
+din32645.html
+pahCalibration.html
diff --git a/chm/chemCal.toc b/chm/chemCal.toc
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+<!DOCTYPE HTML PUBLIC "-//IETF//DTD HTML//EN">
+<HEAD></HEAD><HTML><BODY>
+<UL>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="Package chemCal: Contents">
+<param name="Local" value="00Index.html">
+</OBJECT>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="Package chemCal: R objects">
+</OBJECT>
+<UL>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="calplot">
+<param name="Local" value="calplot.html">
+</OBJECT>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="calpredict">
+<param name="Local" value="calpredict.html">
+</OBJECT>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="din32645">
+<param name="Local" value="din32645.html">
+</OBJECT>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="pahCalibration">
+<param name="Local" value="pahCalibration.html">
+</OBJECT>
+</UL>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="Package chemCal: Titles">
+</OBJECT>
+<UL>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="Calibration data for HPLC measurement of 4 PAH">
+<param name="Local" value="pahCalibration.html">
+</OBJECT>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="Calibration data from DIN 32645">
+<param name="Local" value="din32645.html">
+</OBJECT>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="Estimate measurement results including confidence intervals">
+<param name="Local" value="calpredict.html">
+</OBJECT>
+<LI> <OBJECT type="text/sitemap">
+<param name="Name" value="Plot calibration graphs">
+<param name="Local" value="calplot.html">
+</OBJECT>
+</UL>
+</UL>
+</BODY></HTML>
diff --git a/chm/din32645.html b/chm/din32645.html
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+<html><head><title>Calibration data from DIN 32645</title>
+<link rel="stylesheet" type="text/css" href="Rchm.css">
+</head>
+<body>
+
+<table width="100%"><tr><td>din32645(chemCal)</td><td align="right">R Documentation</td></tr></table><object type="application/x-oleobject" classid="clsid:1e2a7bd0-dab9-11d0-b93a-00c04fc99f9e">
+<param name="keyword" value="R: din32645">
+<param name="keyword" value=" Calibration data from DIN 32645">
+</object>
+
+
+<h2>Calibration data from DIN 32645</h2>
+
+
+<h3>Description</h3>
+
+<p>
+Sample dataset to test the package.
+</p>
+
+
+<h3>Usage</h3>
+
+<pre>data(pahCalibration)</pre>
+
+
+<h3>Format</h3>
+
+<p>
+A dataframe containing 10 rows of x and y values.
+</p>
+
+
+<h3>Source</h3>
+
+<p>
+<a href="http://www.uft.uni-bremen.de/chemie">http://www.uft.uni-bremen.de/chemie</a>
+</p>
+
+
+
+<hr><div align="center"><a href="00Index.html">[Package Contents]</a></div>
+
+</body></html>
diff --git a/chm/logo.jpg b/chm/logo.jpg
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diff --git a/chm/pahCalibration.html b/chm/pahCalibration.html
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+<html><head><title>Calibration data for HPLC measurement of 4 PAH</title>
+<link rel="stylesheet" type="text/css" href="Rchm.css">
+</head>
+<body>
+
+<table width="100%"><tr><td>pahCalibration(chemCal)</td><td align="right">R Documentation</td></tr></table><object type="application/x-oleobject" classid="clsid:1e2a7bd0-dab9-11d0-b93a-00c04fc99f9e">
+<param name="keyword" value="R: pahCalibration">
+<param name="keyword" value=" Calibration data for HPLC measurement of 4 PAH">
+</object>
+
+
+<h2>Calibration data for HPLC measurement of 4 PAH</h2>
+
+
+<h3>Description</h3>
+
+<p>
+This dataset was produced during a course on trace analysis
+of organic contaminants. The data are far from perfect, but
+good enough to serve as an example.
+</p>
+
+
+<h3>Usage</h3>
+
+<pre>data(pahCalibration)</pre>
+
+
+<h3>Format</h3>
+
+<p>
+A dataframe containing the areas for the four polycyclic aromatic
+hydrocarbons (PAH) Acenaphthene, Phenanthrene, Anthracene and Pyrene.
+Each measurement of a standard solution makes up one row.
+</p>
+
+
+<h3>Source</h3>
+
+<p>
+<a href="http://www.uft.uni-bremen.de/chemie">http://www.uft.uni-bremen.de/chemie</a>
+</p>
+
+
+
+<hr><div align="center"><a href="00Index.html">[Package Contents]</a></div>
+
+</body></html>

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