Diffraction peaks can lead to inaccurate elemental abundances in X-ray fluorescence maps. However, manually removing diffraction peaks is laborious while existing automated methods unnecessarily remove significant volumes of fluorescence data. Here we propose a new automated method to remove diffraction from multiple-detector spectra based on a statistical threshold. This method eliminates only the diffraction peaks from the spectra, retaining more of the fluorescence data and increasing the information content available for diffraction-free elemental quantification and mapping. By retaining the majority of the fluorescence data, the proposed method does not require an increase in dwell times or additional data to be collected to compensate for the removed fluorescence data. This method is therefore particularly valuable in instances where measurement time and data volumes are highly restricted, such as for instruments on planetary exploration missions like the Planetary Instrument for X-ray Lithochemistry on NASA's Mars 2020 mission Perseverance Rover.

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.

The geological units on the floor of Jezero crater, Mars, are part of a wider regional stratigraphy of olivine-rich rocks, which extends well beyond the crater. We investigate the petrology of olivine and carbonate-bearing rocks of the Séítah formation in the floor of Jezero. Using multispectral images and x-ray fluorescence data, acquired by the Perseverance rover, we performed a petrographic analysis of the Bastide and Brac outcrops within this unit. We find that these outcrops are composed of igneous rock, moderately altered by aqueous fluid. The igneous rocks are mainly made of coarse-grained olivine, similar to some Martian meteorites. We interpret them as an olivine cumulate, formed by settling and enrichment of olivine through multi-stage cooling of a thick magma body.

The Planetary Instrument for X-ray Lithochemistry (PIXL) is an X-ray fluorescence instrument scheduled to fly to Mars on NASA's 2020 rover (Allwood et al., 2015). It will be capable of quantifying elements with atomic number of at least 11 using X-ray fluorescence (XRF), but the detector window blocks fluorescence from lighter elements. Important elements otherwise invisible include carbon, oxygen, and nitrogen, which can make up anions in minerals of scientific interest. X-rays scattered by all elements can be detected, so the ratio of Compton to Rayleigh scatter may be measured and used to infer the presence of elements for which there is no detectable fluorescence. We have refined a fundamental parameters model to predict the Compton/Rayleigh ratio for any given composition that can be compared to an experimentally measured ratio. We compare with a published Monte Carlo model (Schoonjans et al., 2012) and to experimental values for a set of seven materials. Compton/Rayleigh ratios predicted by the model are in good, though imperfect, agreement with experimental measurements. A procedure for consistently computing the Compton/Rayleigh ratio from a noisy spectrum has also been developed using a variation on a common background removal method and peak fitting.

Calibration of the prototype Planetary Instrument for X-ray Lithochemistry (PIXL) selected for Mars 2020 has commenced with an empirical derivation of the X-ray optic transmission profile. Through a straightforward method of dividing a measured "blank" spectrum over one calculated assuming no optic influence, a rudimentary profile was formed. A simple boxcar-smoothing algorithm was implemented to approximate the complete profile that was incorporated into PIQUANT. Use of this form of smoothing differs from the more conventional approach of using a parameter-based function to complete the profile. Comparison of element-specific correction factors, taken from a measurement of NIST SRM 610, was used to assess the accuracy of the new profile. Improvement in the low- to mid-energy portion of the data was apparent though the high-energy region diverged from unity, and thus, requires further refinement.