chemCal provides simple functions for plotting linear calibration functions and estimating standard errors for measurements according to the Handbook of Chemometrics and Qualimetrics: Part A by Massart et al. There are also functions estimating the limit of detection (LOD) and limit of quantification (LOQ). The functions work on model objects from - optionally weighted - linear regression (lm) or robust linear regression (rlm from the MASS package).

Help topics

Main functions

Essential functionality

  • inverse.predict(inverse.predict.lm, inverse.predict.rlm, inverse.predict.default)
    Predict x from y for a linear calibration
  • calplot(calplot.default, calplot.lm)
    Plot calibration graphs from univariate linear models

LOD and LOQ

Limit of detection and limit of quantification

  • lod(lod.lm, lod.rlm, lod.default)
    Estimate a limit of detection (LOD)
  • loq(loq.lm, loq.rlm, loq.default)
    Estimate a limit of quantification (LOQ)

Datasets

Example data

  • din32645
    Calibration data from DIN 32645
  • massart97ex1
    Calibration data from Massart et al. (1997), example 1

Other

Vignettes

Dependencies

  • Suggests: MASS

Authors