From a94bd86465fe191102a2bf85a3631c83cd10db0a Mon Sep 17 00:00:00 2001 From: ranke Date: Tue, 15 Feb 2005 10:14:01 +0000 Subject: First import, for archiving purposes. git-svn-id: http://kriemhild.uft.uni-bremen.de/svn/chemCal@1 5fad18fb-23f0-0310-ab10-e59a3bee62b4 --- chm/00Index.html | 26 ++++++++++++ chm/Rchm.css | 25 ++++++++++++ chm/calplot.html | 94 ++++++++++++++++++++++++++++++++++++++++++ chm/calpredict.html | 106 ++++++++++++++++++++++++++++++++++++++++++++++++ chm/chemCal.chm | Bin 0 -> 25115 bytes chm/chemCal.hhp | 17 ++++++++ chm/chemCal.toc | 51 +++++++++++++++++++++++ chm/din32645.html | 44 ++++++++++++++++++++ chm/logo.jpg | Bin 0 -> 8793 bytes chm/pahCalibration.html | 48 ++++++++++++++++++++++ 10 files changed, 411 insertions(+) create mode 100755 chm/00Index.html create mode 100755 chm/Rchm.css create mode 100755 chm/calplot.html create mode 100755 chm/calpredict.html create mode 100755 chm/chemCal.chm create mode 100755 chm/chemCal.hhp create mode 100755 chm/chemCal.toc create mode 100755 chm/din32645.html create mode 100755 chm/logo.jpg create mode 100755 chm/pahCalibration.html (limited to 'chm') diff --git a/chm/00Index.html b/chm/00Index.html new file mode 100755 index 0000000..89e77ff --- /dev/null +++ b/chm/00Index.html @@ -0,0 +1,26 @@ +Calibration for analytical chemistry + + +

Calibration for analytical chemistry +

+ +
+ + + + + +

Help pages for package `chemCal' version 0.01-2

+ + + + + + + + + + + +
calplotPlot calibration graphs
calpredictEstimate measurement results including confidence intervals
din32645Calibration data from DIN 32645
pahCalibrationCalibration data for HPLC measurement of 4 PAH
+ diff --git a/chm/Rchm.css b/chm/Rchm.css new file mode 100755 index 0000000..badd579 --- /dev/null +++ b/chm/Rchm.css @@ -0,0 +1,25 @@ +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 new file mode 100755 index 0000000..a2b8158 --- /dev/null +++ b/chm/calplot.html @@ -0,0 +1,94 @@ +Plot calibration graphs + + + + +
calplot(chemCal)R Documentation
+ + + + + +

Plot calibration graphs

+ + +

Description

+ +

+Produce graphics of calibration data, the fitted model as well +as prediction and confidence intervals. +

+ + +

Usage

+ +
+  calplot(x,y,intercept=FALSE,measurand="substance x",xunit="mg/L",yunit="Area",level=0.95)
+
+ + +

Arguments

+ + + + + + + + + + + + + + + + +
x +A vector of x values. +
y +A vector of y values. +
intercept +A boolean describing if the calibration curve is to be forced +through zero. +
measurand +The name of what is being measured as a character vector. +
xunit +The unit of the given values on the x axis as a character vector. +
yunit +The unit of the y axis as a character vector. Defaults to "Area". +
level +The confidence level of the confidence and prediction bands. Defaults to +0.95. +
+ +

Value

+ +

+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.

+ +

Author(s)

+ +

+Johannes Ranke +jranke@uni-bremen.de +http://www.uft.uni-bremen.de/chemie/ranke +

+ + +

Examples

+ +
+data(pahCalibration)
+attach(pahCalibration)
+## Not run: calplot(conc,phenanthrene,"Phenanthrene","mg/L")
+detach(pahCalibration)
+
+ + + +
[Package Contents]
+ + diff --git a/chm/calpredict.html b/chm/calpredict.html new file mode 100755 index 0000000..dff8ec4 --- /dev/null +++ b/chm/calpredict.html @@ -0,0 +1,106 @@ +Estimate measurement results including confidence intervals + + + + +
calpredict(chemCal)R Documentation
+ + + + + +

Estimate measurement results including confidence intervals

+ + +

Description

+ +

+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. +

+ + +

Usage

+ +
+  calpredict(yobs,xi,yi,xunit="",level=0.95,intercept=FALSE,syobs=FALSE)
+
+ + +

Arguments

+ + + + + + + + + + + + + + + + +
yobs +A numeric vector containing the observed data. +
xi +A vector of x values of the calibration. +
yi +A vector of y values of the calibration. +
xunit +The unit of the given values on the x axis as a character string. +
level +The desired confidence level for the confidence interval of the +estimates. Defaults to 0.95. +
intercept +Logical value determining if an intercept is to be fitted or not. +Default is FALSE. +
syobs +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). +
+ +

Value

+ +

+A list containing the estimate, its standard deviation and its +confidence interval.

+ +

Author(s)

+ +

+Johannes Ranke +jranke@uni-bremen.de +http://www.uft.uni-bremen.de/chemie/ranke +

+ + +

Examples

+ +
+data(pahCalibration)
+attach(pahCalibration)
+y <- c(51.2,51.4,51.1,51.8)
+estimate <- calpredict(y,conc,acenaphthene,xunit="mg/L")
+
+ + + +
[Package Contents]
+ + diff --git a/chm/chemCal.chm b/chm/chemCal.chm new file mode 100755 index 0000000..df88b92 Binary files /dev/null and b/chm/chemCal.chm differ diff --git a/chm/chemCal.hhp b/chm/chemCal.hhp new file mode 100755 index 0000000..3b1318b --- /dev/null +++ b/chm/chemCal.hhp @@ -0,0 +1,17 @@ +[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 new file mode 100755 index 0000000..ab7c2f1 --- /dev/null +++ b/chm/chemCal.toc @@ -0,0 +1,51 @@ + + + + diff --git a/chm/din32645.html b/chm/din32645.html new file mode 100755 index 0000000..f0550f7 --- /dev/null +++ b/chm/din32645.html @@ -0,0 +1,44 @@ +Calibration data from DIN 32645 + + + + +
din32645(chemCal)R Documentation
+ + + + + +

Calibration data from DIN 32645

+ + +

Description

+ +

+Sample dataset to test the package. +

+ + +

Usage

+ +
data(pahCalibration)
+ + +

Format

+ +

+A dataframe containing 10 rows of x and y values. +

+ + +

Source

+ +

+http://www.uft.uni-bremen.de/chemie +

+ + + +
[Package Contents]
+ + diff --git a/chm/logo.jpg b/chm/logo.jpg new file mode 100755 index 0000000..b8e2149 Binary files /dev/null and b/chm/logo.jpg differ diff --git a/chm/pahCalibration.html b/chm/pahCalibration.html new file mode 100755 index 0000000..10d1774 --- /dev/null +++ b/chm/pahCalibration.html @@ -0,0 +1,48 @@ +Calibration data for HPLC measurement of 4 PAH + + + + +
pahCalibration(chemCal)R Documentation
+ + + + + +

Calibration data for HPLC measurement of 4 PAH

+ + +

Description

+ +

+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. +

+ + +

Usage

+ +
data(pahCalibration)
+ + +

Format

+ +

+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. +

+ + +

Source

+ +

+http://www.uft.uni-bremen.de/chemie +

+ + + +
[Package Contents]
+ + -- cgit v1.2.1