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-<title>inverse.predict. chemCal 0.1-37</title>
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- <header>
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- </header>
-
- <h1>Predict x from y for a linear calibration</h1>
-
-<div class="row">
- <div class="span8">
- <h2>Usage</h2>
- <pre><div>inverse.predict(object, newdata, ..., ws, alpha=0.05, var.s&nbsp;=&nbsp;"auto")</div></pre>
-
- <h2>Arguments</h2>
- <dl>
- <dt>object</dt>
- <dd>
- A univariate model object of class <code><a href='http://www.inside-r.org/r-doc/stats/lm'>lm</a></code> or
- <code><a href='http://www.inside-r.org/r-doc/MASS/rlm'>rlm</a></code>
- with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>.
- </dd>
- <dt>newdata</dt>
- <dd>
- A vector of observed y values for one sample.
- </dd>
- <dt>...</dt>
- <dd>
- Placeholder for further arguments that might be needed by
- future implementations.
- </dd>
- <dt>ws</dt>
- <dd>
- The weight attributed to the sample. This argument is obligatory
- if <code>object</code> has weights.
- </dd>
- <dt>alpha</dt>
- <dd>
- The error tolerance level for the confidence interval to be reported.
- </dd>
- <dt>var.s</dt>
- <dd>
- The estimated variance of the sample measurements. The default is to take
- the residual standard error from the calibration and to adjust it
- using <code>ws</code>, if applicable. This means that <code>var.s</code>
- overrides <code>ws</code>.
- </dd>
- </dl>
-
- <div class="Value">
- <h2>Value</h2>
-
- <p><dl>
- A list containing the predicted x value, its standard error and a
- confidence interval.
-</dl></p>
-
- </div>
-
- <div class="Description">
- <h2>Description</h2>
-
- <p>This function predicts x values using a univariate linear model that has been
- generated for the purpose of calibrating a measurement method. Prediction
- intervals are given at the specified confidence level.
- The calculation method was taken from Massart et al. (1997). In particular,
- Equations 8.26 and 8.28 were combined in order to yield a general treatment
- of inverse prediction for univariate linear models, taking into account
- weights that have been used to create the linear model, and at the same
- time providing the possibility to specify a precision in sample measurements
- differing from the precision in standard samples used for the calibration.
- This is elaborated in the package vignette.</p>
-
- </div>
-
- <div class="Note">
- <h2>Note</h2>
-
- <p>The function was validated with examples 7 and 8 from Massart et al. (1997).</p>
-
- </div>
-
- <div class="References">
- <h2>References</h2>
-
- <p>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,
- p. 200</p>
-
- </div>
-
- <h2 id="examples">Examples</h2>
- <pre class="examples"><div class='input'># This is example 7 from Chapter 8 in Massart et al. (1997)
-data(massart97ex1)
-m &lt;- lm(y ~ x, data = massart97ex1)
-inverse.predict(m, 15) # 6.1 +- 4.9
-</div>
-<div class='output'>$Prediction
-[1] 6.09381
-
-$`Standard Error`
-[1] 1.767278
-
-$Confidence
-[1] 4.906751
-
-$`Confidence Limits`
-[1] 1.187059 11.000561
-
-</div>
-<div class='input'>inverse.predict(m, 90) # 43.9 +- 4.9
-</div>
-<div class='output'>$Prediction
-[1] 43.93983
-
-$`Standard Error`
-[1] 1.767747
-
-$Confidence
-[1] 4.908053
-
-$`Confidence Limits`
-[1] 39.03178 48.84788
-
-</div>
-<div class='input'>inverse.predict(m, rep(90,5)) # 43.9 +- 3.2
-</div>
-<div class='output'>$Prediction
-[1] 43.93983
-
-$`Standard Error`
-[1] 1.141204
-
-$Confidence
-[1] 3.168489
-
-$`Confidence Limits`
-[1] 40.77134 47.10832
-
-</div></pre>
- </div>
- <div class="span4">
- <!-- <ul>
- <li>inverse.predict</li><li>inverse.predict.lm</li><li>inverse.predict.rlm</li><li>inverse.predict.default</li>
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