The focused beam X-ray fluorescence elemental quantification software package PIQUANT

Abstract

Adoption of a robust X-ray fluorescence spectroscopy quantification and spectrum fitting routine calls for careful consideration on the inner workings and databases incorporated in its architecture. For analysis of micro-XRF data returned from the Planetary Instrument for X-ray Lithochemistry (PIXL), integrated on the Mars 2020 Perseverance rover, the University of Washington and the National Aeronautics and Space Administration (NASA) have invested in the production of an in-house micro-XRF software package, PIQUANT, capable of supporting quantitative elemental analysis of whole rock and geological materials. The PIQUANT software uses an iterative fundamental parameters physics-based model to convert X-ray peak intensity into elemental concentration, and has minimal reliance on calibration using standards. It also incorporates polycapillary optic transmission correction to account for photon passage in the X-ray optic of micro-XRF systems. This work introduces the key features of PIQUANT's architecture, its databases, models, assumptions and summarizes features available as part of the analysis products it generates. A working example of a quantification process available with this software is presented within.