Predicting instrumental mass fractionation (IMF) of stable isotope SIMS analyses by response surface methodology (RSM)

Abstract

Instrumental mass fractionation (IMF) of isotopic SIMS analyses (Cameca 1280HR, CRPG Nancy) was predicted by response surface methodology (RSM) for 18O/16O determinations of plagioclase, K-feldspar and quartz. The three predictive response surface models combined instrumental and compositional inputs. The instrumental parameters were: (i) X and Y position, (ii) LT1DefX and LT1DefY electrostatic deflectors, (iii) chamber pressure and, (iv) primary-ion beam intensity. The compositional inputs included: (i) anorthite content (An%) for the plagioclase model and, (ii) orthoclase (Or%) and barium (BaO%) contents for the K-feldspar model. The three models reached high predictive powers. The coefficients R2 and prediction-R2 were, respectively, 90.47% and 86.74% for plagioclase, 87.56% and 83.17% for K-feldspar and 94.29% and 91.59% for quartz. The results show that RSM can be confidently applied to IMF prediction in stable isotope SIMS analyses by the use of instrumental and compositional variables.