Calibration, error analysis, and ongoing measurement process monitoring for mass spectrometry

Abstract

We consider problems of quantifying and monitoring accuracy and precision of measurement in mass spectrometry, particularly in contexts where there is unavoidable day-to-day/period-to-period changes in instrument sensitivity. First we consider the issue of estimating instrument sensitivity based on data from a typical calibration study. Simple method-of-moments methods, likelihood-based methods, and Bayes methods based on the one-way random effects model are illustrated. Then we consider subsequently assessing the precision of an estimate of a mole fraction of a gas of interest in an unknown. Finally, we turn to the problem of ongoing measurement process monitoring and illustrate appropriate set-up of Shewhart control charts in this application. --