Zero-dose extrapolation as part of macromolecular synchrotron data reduction

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DIEDERICHS, Kay, Sean MCSWEENEY, Raimond B. G. RAVELLI, 2003. Zero-dose extrapolation as part of macromolecular synchrotron data reduction. In: Acta Crystallographica, Section D. 59(5), pp. 903-909. ISSN 0907-4449

@article{Diederichs2003Zero--6590, title={Zero-dose extrapolation as part of macromolecular synchrotron data reduction}, year={2003}, doi={10.1107/S0907444903006516}, number={5}, volume={59}, issn={0907-4449}, journal={Acta Crystallographica, Section D}, pages={903--909}, author={Diederichs, Kay and McSweeney, Sean and Ravelli, Raimond B. G.} }

<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/6590"> <dc:format>application/pdf</dc:format> <dcterms:issued>2003</dcterms:issued> <dc:rights>deposit-license</dc:rights> <dc:creator>Diederichs, Kay</dc:creator> <dc:language>eng</dc:language> <dc:creator>Ravelli, Raimond B. G.</dc:creator> <dcterms:title>Zero-dose extrapolation as part of macromolecular synchrotron data reduction</dcterms:title> <dcterms:bibliographicCitation>First publ. in: Acta Crystallographica, Section D 59 (2003), pp. 903-909</dcterms:bibliographicCitation> <dcterms:abstract xml:lang="eng">Radiation damage to macromolecular crystals at third-generation synchrotron sites constitutes a major source of systematic error in X-ray data collection. Here, a computational method to partially correct the observed intensities during data reduction is described and investigated. The method consists of a redundancy-based zero-dose extrapolation of a decay function that is fitted to the intensities of all observations of a unique reflection as a function of dose. It is shown in a test case with weak anomalous signal that this conceptually simple correction, when applied to each unique reflection, can significantly improve the accuracy of averaged intensities and single-wavelength anomalous dispersion phases and leads to enhanced experimental electron-density maps. Limitations of and possible improvements to the method are discussed.</dcterms:abstract> <dc:contributor>Diederichs, Kay</dc:contributor> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T17:27:38Z</dc:date> <dc:creator>McSweeney, Sean</dc:creator> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T17:27:38Z</dcterms:available> <dc:contributor>Ravelli, Raimond B. G.</dc:contributor> <dc:contributor>McSweeney, Sean</dc:contributor> <dcterms:rights rdf:resource="https://creativecommons.org/licenses/by-nc-nd/2.0/legalcode"/> <bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/6590"/> </rdf:Description> </rdf:RDF>

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