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Figure 5
Successful crystal structure determination of leucopterin hemihydrate by a global fit to the PDF, performed after the correct space group (P2/c) was known. The PDF global fit was done without the water molecule. The experimental PDF is shown in black, the calculated PDF in red and the difference curve below in blue.

IUCrJ
Volume 10| Part 4| July 2023| Pages 448-463
ISSN: 2052-2525
https://doi.org/10.1107/S2052252523004281