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Johannes Ranke
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chemCal

I created the R library chemCal in order to deal with calibration data from analytical chemistry. It visualizes the data and aids in the determination of the limit of detection (LOD) and the limit of quantification (LOQ).

It implements the methods for determination of these limits as described in DIN 32645 (equivalent to ISO 11843).

It also includes an implementation of the calculation of confidence intervals for the prediction of x values from measured y values as published in

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.

This is used for the calculation of the limit of quantification from the calibration data. The package also includes sample data from DIN 32645.

Static HTML documentation http://chem.uft.uni-bremen.de/ranke/chemCal
Short introduction to the package (package vignette): chemCal.pdf
CRAN package page: chemCal.html
Source code: http://cgit.jrwb.de/chemCal

chemCal.php last modified October 08, 2015