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High‐resolution synchrotron X‐ray powder diffraction with a linear position‐sensitive detector
Author(s) -
Lehmann M. S.,
Christensen A. N.,
Nielsen M.,
Feidenhans'l R.,
Cox D. E.
Publication year - 1988
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889888007253
Subject(s) - detector , analyser , synchrotron , linearity , resolution (logic) , optics , powder diffraction , materials science , analytical chemistry (journal) , physics , chemistry , crystallography , chromatography , quantum mechanics , artificial intelligence , computer science
X‐ray synchrotron powder data were collected from a capillary sample of a small‐molecule organic peptide compound, glycylglycine (NH 2 CH 2 CONHCH 2 COOH) by step‐scanning at 1° intervals with a linear position‐sensitive detector covering an angular range of 2.7° in order to test the feasibility of recording a high‐resolution pattern and using the data for Rietveld analysis. Appropriate corrections for detector linearity and position were implemented, and comparison with a diagram recorded with a single scintillation detector and a crystal analyser system showed similar quality for the two sets of data. A detailed comparison of the refined atomic coordinates and those of an earlier X‐ray single‐crystal study showed the estimated standard deviations to be significantly underestimated in both refinements. A linear detector should be particularly useful for small samples and capillary specimens of moderately absorbing materials.