Calculations of and effects on quantitative limits for multivariate analyses of geological materials with laser-induced breakdown spectroscopy

Quantitative analysis methods in all applications require robust measurements of quantification limits (LOQ); the threshold at which predicted values can be trusted. Although established LOQ protocols exist for univariate techniques, based on classical peak area measurements that vary directly with concentration of analytes, there is limited work on how best to quantify measurement limits when analyzed using more modern multivariate analysis (MVA) methods. This is especially the case for the technique of laser-induced breakdown spectroscopy (LIBS), which in the last decade has emerged as a promising technique for elemental analyses in many LIBS applications, wherein MVA modelling techniques outperform univariate methods.