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On the role of data quality in experimental charge-density studies.

Abstract:

High-resolution X-ray diffraction data were collected at T = 19 K from two similar spherical crystals of the fungal metabolite citrinin, C(13)H(14)O(5). The two data sets were of markedly different quality, one data set (MQ, medium quality) comprising a single octant of the reciprocal lattice and including reflections with obviously peculiar intensity profiles while the second (HQ, high quality) comprised a hemisphere of reflections and showed no flawed profiles. Parallel multipolar refinemen...

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Publication status:
Published

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Publisher copy:
10.1107/s0108767304014813

Authors


Loconte, L More by this author
Lo Presti, L More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MSD, Pathology Dunn School
Journal:
Acta crystallographica. Section A, Foundations of crystallography
Volume:
60
Issue:
Pt 5
Pages:
365-370
Publication date:
2004-09-05
DOI:
EISSN:
1600-5724
ISSN:
0108-7673
URN:
uuid:5386259c-dbdb-4c08-812b-f0ac882e7c18
Source identifiers:
23949
Local pid:
pubs:23949

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