MINERAL: A program for the propagation of analytical uncertainty through mineral formula recalculations

MINERAL (MINeral ERror AnaLysis) is a MATLAB® based program that performs mineral formula recalculations and calculates the error on formula unit cations though the propagation of analytical uncertainties. The program is focused on 9 common mineral groups. Other minerals are accommodated through a generic routine in which users designate the number of cations and oxygens in the desired formula. Additional functionalities provide users with a range of mineral appropriate output options. Recalculations and uncertainty calculations include site assignments for multi-site cations (e.g. tetrahedral and octahedral Al in mafic minerals), partitioning of Fe2+ and Fe3+, and calculations of mol fractions of end members. Until now, performing full propagation of uncertainty through mineral formula recalculations was labor intensive and, for users unfamiliar with statistical notation or techniques, a significant computational challenge. The lack of precedent set by previous studies has made it accepted practice within the discipline to not provide recalculated uncertainty information. This oversight prevents analysts from assessing the quality of their data, and of their interpretations in a robust and quantitative manner. This automated toolbox renders the process fast and simple.