Generating intra-particle crystallographic parameter maps and histograms of a chemically pure crystalline particulate substance. Spectral imaging, in general, and focus-fusion multi-layer spectral imaging, in particular, combined with pattern recognition and classification analysis are performed on individual particles for forming sets of single-particle spectral fingerprint data, characterized by single-particle spectral fingerprint spectra (FIG. 1). Spectral shifts are identified in the single-particle spectral fingerprint data, for forming intra-particle crystallographic region groups each featuring sub-sets of intra-particle spectral fingerprint pattern data, where selected data elements in each sub-set are shifted relative to corresponding data elements in remaining sub-sets in the same intra-particle crystallographic region group (FIG. 2). Each intra-particle crystallographic region group is associated with crystallographic parameters of crystal type and crystal class, for forming intra-particle crystallographic parameter data, used for generating intra-particle crystallographic parameter maps (FIG. 3) and histograms (FIG. 4) of the chemically pure crystalline particulate substance throughout a multi-particle sample.
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