Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions

Habermehl, S.; Mörschel, P.; Eisenbrandt, P.; Hammer, S.M.; Schmidt, M.U.

doi:10.1107/S2052520613033994

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 2
Experimental X-ray powder diagram of Pigment Yellow 14 (dots) and simulated diagrams (red lines) of a strongly deviating structural model (a) before optimization with FIDEL, (b) after optimization with FIDEL. Experimental data are background corrected.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 70| Part 2| March 2014| Pages 347-359

doi:10.1107/S2052520613033994

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