The LaueUtil toolkit for Laue photocrystallography. I. Rapid orientation matrix determination for intermediate-size-unit-cell Laue data

Journal Article · Thu Oct 15 00:00:00 EDT 2015 · J. Appl. Crystallogr.

DOI:https://doi.org/10.1107/S0021889811038143· OSTI ID:1033787

Kalinowski, Jaroslaw A.; Makal, Anna; Coppens, Philip ^[1]

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1. Buffalo

A new method for determination of the orientation matrix of Laue X-ray data is presented. The method is based on matching of the experimental patterns of central reciprocal lattice rows projected on a unit sphere centered on the origin of the reciprocal lattice with the corresponding pattern of a monochromatic data set on the same material. This technique is applied to the complete data set and thus eliminates problems often encountered when single frames with a limited number of peaks are to be used for orientation matrix determination. Application of the method to a series of Laue data sets on organometallic crystals is described. The corresponding program is available under a Mozilla Public License-like open-source license.

• Research Organization: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
• Sponsoring Organization: National Science Foundation (NSF)
• OSTI ID: 1033787
• Journal Information: J. Appl. Crystallogr., Vol. 44, Issue (6) ; 12, 2011; ISSN 0021-8898
• Country of Publication: United States
• Language: ENGLISH