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dc.creatorRius, Jordi-
dc.creatorVallcorba, Oriol-
dc.creatorCrespi, Anna-
dc.creatorColombo, Fernando-
dc.date2018-05-11T14:52:34Z-
dc.date2018-05-11T14:52:34Z-
dc.date2017-01-
dc.date2018-05-09T16:16:39Z-
dc.date.accessioned2019-04-29T15:29:01Z-
dc.date.available2019-04-29T15:29:01Z-
dc.date.issued2018-05-11T14:52:34Z-
dc.date.issued2018-05-11T14:52:34Z-
dc.date.issued2017-01-
dc.date.issued2018-05-09T16:16:39Z-
dc.identifierRius, Jordi; Vallcorba, Oriol; Crespi, Anna; Colombo, Fernando; Increasing data completeness in synchrotron tts-microdiffraction experiments for δ-recycling phasing of low-symmetry compounds; De Gruyter; Zeitschrift für Kristallographie Crystalline Materials; 232; 12; 1-2017; 827–834-
dc.identifier2194-4946-
dc.identifierhttp://hdl.handle.net/11336/44906-
dc.identifier2196-7105-
dc.identifierCONICET Digital-
dc.identifierCONICET-
dc.identifier.urihttp://rodna.bn.gov.ar:8080/jspui/handle/bnmm/294951-
dc.descriptionSuccessful phasing of synchrotron through-the-substrate microdiffraction data by δ-recycling direct-methods largely depends on the number of missing intensities caused by the limited sample rotation range [J. Rius, Direct phasing from Patterson syntheses by δ recycling. Acta Cryst. A 2012, 68, 77–81]. Particularly, for the unfavorable triclinic system, dataset completeness resulting from a single series of consecutive ϕ-scans covering a total ϕ interval of ±35° is around 41%. This value is not enough for the routinary solution of a crystal structure by δ-recycling but can be increased by ~29% by applying the orthogonal χ strategy consisting of merging the information of two series of orthogonal ϕ-scans collected at the same microvolume of the polished thin section. Test calculations using simulated and experimental tts-data of the triclinic mineral axinite confirm that, with the help of the orthogonal χ strategy, crystal structures can be solved routinely. Since data in the ±35 ϕ-interval are normally accessible even for relatively thick glass-substrates (1–1.5 mm), a crystal structure can be determined from a single microvolume. For high-symmetry phases, due to the Laue symmetry redundancy, a single series of ϕ-scans normally suffices for the application of δ-recycling. However, when for experimental causes this series is incomplete, the orthogonal χ strategy also provides a simple way to increase the completeness which besides allowing solving the structure, is also beneficial for the subsequent refinement.-
dc.descriptionFil: Rius, Jordi. Consejo Superior de Investigaciones Científicas. Instituto de Ciencia de los Materiales de Barcelona; España-
dc.descriptionFil: Vallcorba, Oriol. ALBA Synchrotron Light Source; España-
dc.descriptionFil: Crespi, Anna. Consejo Superior de Investigaciones Científicas. Instituto de Ciencia de los Materiales de Barcelona; España-
dc.descriptionFil: Colombo, Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigaciones en Ciencias de la Tierra. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Centro de Investigaciones en Ciencias de la Tierra; Argentina-
dc.formatapplication/pdf-
dc.formatapplication/pdf-
dc.languageeng-
dc.publisherDe Gruyter-
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://www.degruyter.com/view/j/zkri.ahead-of-print/zkri-2017-2064/zkri-2017-2064.xml-
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1515/zkri-2017-2064-
dc.rightsinfo:eu-repo/semantics/restrictedAccess-
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/-
dc.sourcereponame:CONICET Digital (CONICET)-
dc.sourceinstname:Consejo Nacional de Investigaciones Científicas y Técnicas-
dc.sourceinstacron:CONICET-
dc.subjectRECYCLING PHASING-
dc.subjectPOLISHED THIN SECTIONS-
dc.subjectSTRUCTURE SOLUTION-
dc.subjectX-RAY DATA COMPLETENESS-
dc.subjectMeteorología y Ciencias Atmosféricas-
dc.subjectCiencias de la Tierra y relacionadas con el Medio Ambiente-
dc.subjectCIENCIAS NATURALES Y EXACTAS-
dc.titleIncreasing data completeness in synchrotron tts-microdiffraction experiments for δ-recycling phasing of low-symmetry compounds-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/publishedVersion-
dc.typeinfo:ar-repo/semantics/articulo-
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