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A one-dimensional non-iterative direct method was employed for normalized crystal truncation rod analysis. The non-iterative approach, utilizing the Kramers–Kronig relation, avoids the ambiguities due to an improper initial model or incomplete convergence in the conventional iterative methods. The validity and limitations of the present method are demonstrated through both numerical simulations and experiments with Pt(111) in a 0.1 M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.

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Portable Document Format (PDF) file https://doi.org/10.1107/S1600576718004326/rg5140sup1.pdf
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Zip compressed file https://doi.org/10.1107/S1600576718004326/rg5140sup2.zip
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