Customised display of large mineralogical (XRD) data: Geological advantages and applications

X-ray diffraction mineralogical analysis of geological sequences is a well-established procedure in both academia and industry, rendering large volume data short-analytical time. Yet, standard treatment resulting interpretations present limitations related to the inherent complexities natural materials (e.g. compositional variety, structural ordering), are often time consuming focussed on very detailed inspection. Several alternatives were evaluated terms advantages disadvantages main goal generating user-friendly, fast intuitive way processing data. The potential using raw interpret diversity relative phase abundances along sedimentary successions explored here. A Python based program was tailored assist organisation. After this automated step, 3D surface computation renders final result within minutes. This single-image representation can also be integrated with complementary information (sedimentary logs or other features interest) for contrast and/or comparison multi-proxy studies. proposed approach tested set 81 bulk clay-fraction diffractograms (intensity counts per second—cps respective angle—º2?) obtained from Cenomanian mixed carbonate–siliciclastic stratigraphic succession, here by combining (XY) stratigraphic/geological (Z). bypass preliminary treatment, avoid time-consuming interpretation unintended, but common, user-induced bias. Advantages modelling include solutions volumes XRD data, information. adds value incorporating field (stratigraphic/sedimentological) that complements contextualises Limitations intensity results via methods semi-quantitative estimation). visual statistical confirmed good equilibrium between speed precision/utility output.