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quantchem (version 0.12-1)

Quantitative chemical analysis: calibration and evaluation of results

Description

Statistical evaluation of calibration curves by different regression techniques: ordinary, weighted, robust (up to 4th order polynomial). Log-log and Box-Cox transform, estimation of optimal power and weighting scheme. Tests for heteroscedascity and normality of residuals. Different kinds of plots commonly used in illustrating calibrations. Easy "inverse prediction" of concentration by given responses and statistical evaluation of results (comparison of precision and accuracy by common tests).

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Version

Install

install.packages('quantchem')

Monthly Downloads

3

Version

0.12-1

License

GPL (>= 2)

Maintainer

Lukasz Komsta

Last Published

April 11th, 2007

Functions in quantchem (0.12-1)

vstat

Variability statistics of quantitative analysis results
dstat

Descriptive statistics of quantitative analysis results
summary.lmcal, summary.nlscal

Summarizing fitted calibration curves
AIC.cal

Akaike's An Information Criterion for calibration models
tablets

Tablet mass data
plot.lmcal, plot.nlscal

Calibration plots
confint.cal

Confidence intervals for calibration curve parameters
ibuprofen, genisten, biochanin, pseudoephedrine, nitrate

Calibration data for several compounds
lmcal, nlscal

Perform linear and nonlinear calibration of analytical method
derivative

Derivative of fitted polynomial
lof

Lack-of-Fit testing of calibration models
residuals.cal

Residuals of calibration curves
predict.lmcal, predict.nlscal

Inverse predict concentration from given responses
anova.lmcal, anova.nlscal

ANOVA tests for calibration models