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:
This is used for the calculation of the limit of quantification from
the calibration data. The package also includes sample data from DIN 32645.
chemCal.php last modified October 08, 2015