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New methods in time-resolved Laue pump–probe crystallography at synchrotron sources

Newly developed methods for time-resolved studies using the polychromatic and in particular the pink-Laue technique, suitable for medium and small-size unit cells typical in chemical crystallography, are reviewed. The order of the sections follows that of a typical study, starting with a description...

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Autores principales: Coppens, Philip, Fournier, Bertrand
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4344360/
https://www.ncbi.nlm.nih.gov/pubmed/25723930
http://dx.doi.org/10.1107/S1600577514026538
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author Coppens, Philip
Fournier, Bertrand
author_facet Coppens, Philip
Fournier, Bertrand
author_sort Coppens, Philip
collection PubMed
description Newly developed methods for time-resolved studies using the polychromatic and in particular the pink-Laue technique, suitable for medium and small-size unit cells typical in chemical crystallography, are reviewed. The order of the sections follows that of a typical study, starting with a description of the pink-Laue technique, followed by the strategy of data collection for analysis with the RATIO method. Novel procedures are described for spot integration, orientation matrix determination for relatively sparse diffraction patterns, scaling of multi-crystal data sets, use of Fourier maps for initial assessment and analysis of results, and least-squares refinement of photo-induced structural and thermal changes. In the calculation of Fourier maps a ground-state structure model, typically based on monochromatic results, is employed as reference, and the laser-ON structure factors for the Fourier summations are obtained by multiplying the reference ground-state structure factors by the square root of the experimental ON/OFF ratios. A schematic of the procedure followed is included in the conclusion section.
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spelling pubmed-43443602016-03-01 New methods in time-resolved Laue pump–probe crystallography at synchrotron sources Coppens, Philip Fournier, Bertrand J Synchrotron Radiat Lead Articles Newly developed methods for time-resolved studies using the polychromatic and in particular the pink-Laue technique, suitable for medium and small-size unit cells typical in chemical crystallography, are reviewed. The order of the sections follows that of a typical study, starting with a description of the pink-Laue technique, followed by the strategy of data collection for analysis with the RATIO method. Novel procedures are described for spot integration, orientation matrix determination for relatively sparse diffraction patterns, scaling of multi-crystal data sets, use of Fourier maps for initial assessment and analysis of results, and least-squares refinement of photo-induced structural and thermal changes. In the calculation of Fourier maps a ground-state structure model, typically based on monochromatic results, is employed as reference, and the laser-ON structure factors for the Fourier summations are obtained by multiplying the reference ground-state structure factors by the square root of the experimental ON/OFF ratios. A schematic of the procedure followed is included in the conclusion section. International Union of Crystallography 2015-01-28 /pmc/articles/PMC4344360/ /pubmed/25723930 http://dx.doi.org/10.1107/S1600577514026538 Text en © International Union of Crystallography 2015 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Lead Articles
Coppens, Philip
Fournier, Bertrand
New methods in time-resolved Laue pump–probe crystallography at synchrotron sources
title New methods in time-resolved Laue pump–probe crystallography at synchrotron sources
title_full New methods in time-resolved Laue pump–probe crystallography at synchrotron sources
title_fullStr New methods in time-resolved Laue pump–probe crystallography at synchrotron sources
title_full_unstemmed New methods in time-resolved Laue pump–probe crystallography at synchrotron sources
title_short New methods in time-resolved Laue pump–probe crystallography at synchrotron sources
title_sort new methods in time-resolved laue pump–probe crystallography at synchrotron sources
topic Lead Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4344360/
https://www.ncbi.nlm.nih.gov/pubmed/25723930
http://dx.doi.org/10.1107/S1600577514026538
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