pathSQE: an automated workflow for single-crystal inelastic neutron scattering data processing and analysis

Sable, A.; Savici, A.T.; Linjawi, B.; Delaire, O.

doi:10.1107/S1600576725011112

Journal of Applied Crystallography Journal of Applied
Crystallography

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Figure 3
Illustration of Brillouin zone (BZ) folding using a simple two-dimensional cubic lattice as an example. The unfolded dataset extends over multiple BZs, indicated by black boxes. Reciprocal lattice points ( $[{\boldtau}]$ ) are shown as filled red circles, with the origin (O) marked by an open red circle. In the translational BZ stacking step, data points are shifted back into the first BZ (gray region) by applying the relation $[{\bf q} = {\bf Q}-{\boldtau}]$ , where Q is the total momentum transfer and $[{\boldtau}]$ is the nearest reciprocal lattice vector. In the subsequent point-group folding step, the symmetries of the crystal are applied to further map the data into the irreducible wedge of the first BZ (orange region).

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 1| February 2026| Pages 248-262

https://doi.org/10.1107/S1600576725011112

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