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Figure 1
In the real-space method we compute signatures for each ROI and reference signatures of crystal structure candidates to compare these for indexing. The computation has several steps. First, the definition of one geodesic mesh which is used for all ROIs and defines the corresponding projection directions. Second, the computation of the 1D SDMs for each direction and ROI. Third, the fast Fourier transformation of each SDM plus subsequent signal extraction using the modified strategy for extracting crystal-structure-specific peaks from the amplitude spectra to compose at least one signature per ROI. Fourth, the indexing of the signatures by comparing each signature against a set of rotated references (signatures for crystal structure candidates). The colour bar to the right shows normalized intensities.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 5| October 2021| Pages 1490-1508
https://doi.org/10.1107/S1600576721008578
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