Journal Article

PHPPUBDB-25777

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Multigrain crystallography

Sorensen, O. H. ; Schmidt, S.Extern* ; Wright, J. P. ; Vaughan, G. B. M. ; Techert, S.DESY* ; Garman, E. F. ; Oddershede, J.Extern* ; Davaasambu, J. ; Paithankar, K. S. ; Gundlach, C.Extern* ; Poulsen, H. F. (Corresponding author)Extern* ; DESY

2012
Oldenbourg München

This record in other databases:      

Please use a persistent id in citations: doi:10.1524/zkri.2012.1438

Abstract: We summarize exploratory work on multigrain crystallography. The experimental arrangement comprises a monochromatic beam, a fully illuminated sample with up to several hundred grains in transmission geometry on a rotary table and a 2D detector. Novel algorithms are presented for indexing, integration and filtering with emphasis on handling the complications of spot overlap and the need for on-line analysis. The structure solution and refinement steps are performed by conventional single crystal programs. Simulations are used to verify the algorithms and to probe the overall limitations of the methodology in terms of number of grains, size of unit cell and direct space resolution. First experimental results in the fields of chemistry, structural biology and time-resolved studies in photochemistry are presented. As an outlook, the concept of TotalCrystallography is introduced, defined as the simultaneous characterization of the 3D atomic, and 3D grain-scale structure of polycrystalline specimens with phases of unknown composition and structure.

Note: (c) by Oldenbourg Wissenschaftsverlag. Volltext in Public repository nicht erlaubt. Code P.

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Contributing Institute(s):

1. Experiments with synchrotron radiation (HASYLAB(-2012))
2. Strukturdynamik Chemischer Systeme (FS-SCS)

Research Program(s):

1. 6215 - Soft Matter, Health and Life Sciences (POF3-621) (POF3-621)
2. DORIS Beamline D3 (POF2-54G13) (POF2-54G13)
3. DORIS Beamline F1 (POF2-54G13) (POF2-54G13)

Experiment(s):

1. DORIS Beamline D3 (DORIS III)
2. DORIS Beamline F1 (DORIS III)

Appears in the scientific report 2012

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Database coverage:
Current Contents - Social and Behavioral Sciences ; JCR ; No Author Disambiguation ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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