XRD-CT Phase Map and Radial Profile Analysis for Catalyst Pellets

The workflow allows the loading, organization, and visualization of spatially resolved reconstructed phase maps, where each map corresponds to the distribution of a fitted crystalline phase within a pellet cross-section. The notebook includes tools for generating publication-style multi-panel phase maps, defining pellet masks from a selected reference phase, cleaning masks by filling internal holes and cracks, and calculating distance-to-surface radial profiles.

The radial coordinate is defined such that: 0 = pellet core 1 = outer pellet region This approach avoids the need for a manually defined sample center and is suitable for irregular pellet shapes. The workflow also includes diagnostic plots showing phase maps with iso-contours, radial binning histograms, and radial concentration profiles. The script was developed using an Nb₂O₅-based catalyst pellet case study as reference; therefore, the default variables, phase dictionaries, mask definitions, and plotting settings follow this example dataset.