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Figure 1
Basic explanation of the parameter space concept. (a)–(c) Two-dimensional parameter space for the projection of a crystal structure of two equal scatterers onto the z axis for reflections [00l,l = 1,2,3]. The color map represents the calculated amplitude for each combination of atomic coordinates. The isosurfaces for positive and negative amplitudes generated by the arbitrary atomic coordinates [0.2,0.12] are highlighted with solid and dashed lines, respectively. (d) Overlay of the isosurfaces from (a)–(c) with their intersecting points highlighted by red and green circles. The intersection point at the red circle is the intended structure to be found, and alternative solutions are at the green circles.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 3| June 2025| Pages 768-788
https://doi.org/10.1107/S1600576725001955
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