Please use this identifier to cite or link to this item: https://doi.org/10.15480/882.2428
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dc.contributor.authorGevorkov, Yaroslav-
dc.contributor.authorYefanov, Oleksandr-
dc.contributor.authorBarty, Anton-
dc.contributor.authorWhite, Thomas A.-
dc.contributor.authorMariani, Valerio-
dc.contributor.authorBrehm, Wolfgang-
dc.contributor.authorTolstikova, Aleksandra-
dc.contributor.authorGrigat, Rolf-Rainer-
dc.contributor.authorChapman, Henry N.-
dc.date.accessioned2019-10-09T09:30:31Z-
dc.date.available2019-10-09T09:30:31Z-
dc.date.issued2019-08-30-
dc.identifier.citationActa Crystallographica. Section A, Foundations and Advances 5 (75): 694-704 (2019)de_DE
dc.identifier.issn2053-2733de_DE
dc.identifier.urihttp://hdl.handle.net/11420/3532-
dc.description.abstractSerial crystallography records still diffraction patterns from single, randomly oriented crystals, then merges data from hundreds or thousands of them to form a complete data set. To process the data, the diffraction patterns must first be indexed, equivalent to determining the orientation of each crystal. A novel automatic indexing algorithm is presented, which in tests usually gives significantly higher indexing rates than alternative programs currently available for this task. The algorithm does not require prior knowledge of the lattice parameters but can make use of that information if provided, and also allows indexing of diffraction patterns generated by several crystals in the beam. Cases with a small number of Bragg spots per pattern appear to particularly benefit from the new approach. The algorithm has been implemented and optimized for fast execution, making it suitable for real-time feedback during serial crystallography experiments. It is implemented in an open-source C++ library and distributed under the LGPLv3 licence. An interface to it has been added to the CrystFEL software suite.en
dc.description.sponsorshipGerman Ministry of Education and Research (BMBF) German Research Foundation (DFG) Gottfried Wilhelm Leibniz Program and Clusters of Excellence `Center for Ultrafast Imaging Advanced Imaging of Matterde_DE
dc.language.isoende_DE
dc.publisherInternational Union of Crystallography (IUCr) ; Wiley-Blackwell - STMde_DE
dc.relation.ispartofActa crystallographicade_DE
dc.rightsCC BY 4.0de_DE
dc.subjectindexingde_DE
dc.subjectXGANDALFde_DE
dc.subjectCrystFELde_DE
dc.subjectmultiple latticesde_DE
dc.subjectserial crystallographyde_DE
dc.subject.ddc530: Physikde_DE
dc.titleXGANDALF – extended gradient descent algorithm for lattice findingde_DE
dc.typeArticlede_DE
dc.identifier.urnurn:nbn:de:gbv:830-882.051434-
dc.identifier.doi10.15480/882.2428-
dc.type.diniarticle-
dc.subject.ddccode530-
dcterms.DCMITypeText-
tuhh.identifier.urnurn:nbn:de:gbv:830-882.051434-
tuhh.oai.showtruede_DE
tuhh.abstract.englishSerial crystallography records still diffraction patterns from single, randomly oriented crystals, then merges data from hundreds or thousands of them to form a complete data set. To process the data, the diffraction patterns must first be indexed, equivalent to determining the orientation of each crystal. A novel automatic indexing algorithm is presented, which in tests usually gives significantly higher indexing rates than alternative programs currently available for this task. The algorithm does not require prior knowledge of the lattice parameters but can make use of that information if provided, and also allows indexing of diffraction patterns generated by several crystals in the beam. Cases with a small number of Bragg spots per pattern appear to particularly benefit from the new approach. The algorithm has been implemented and optimized for fast execution, making it suitable for real-time feedback during serial crystallography experiments. It is implemented in an open-source C++ library and distributed under the LGPLv3 licence. An interface to it has been added to the CrystFEL software suite.de_DE
tuhh.publisher.doi10.1107/S2053273319010593-
tuhh.publication.instituteBildverarbeitungssysteme E-2de_DE
tuhh.identifier.doi10.15480/882.2428-
tuhh.type.opus(wissenschaftlicher) Artikel-
tuhh.institute.germanBildverarbeitungssysteme E-2de
tuhh.institute.englishBildverarbeitungssysteme E-2de_DE
tuhh.gvk.hasppnfalse-
dc.type.driverarticle-
dc.rights.cchttps://creativecommons.org/licenses/by/4.0/de_DE
dc.type.casraiJournal Article-
tuhh.container.issue5de_DE
tuhh.container.volume75de_DE
tuhh.container.startpage694de_DE
tuhh.container.endpage704de_DE
dc.relation.project05K18CHA, CUI, EXC 1074, ID 194651731, AIM, EXC 2056, ID 390715994.de_DE
dc.rights.nationallicensefalsede_DE
item.languageiso639-1other-
item.fulltextWith Fulltext-
item.grantfulltextopen-
item.creatorOrcidGevorkov, Yaroslav-
item.creatorOrcidYefanov, Oleksandr-
item.creatorOrcidBarty, Anton-
item.creatorOrcidWhite, Thomas A.-
item.creatorOrcidMariani, Valerio-
item.creatorOrcidBrehm, Wolfgang-
item.creatorOrcidTolstikova, Aleksandra-
item.creatorOrcidGrigat, Rolf-Rainer-
item.creatorOrcidChapman, Henry N.-
item.creatorGNDGevorkov, Yaroslav-
item.creatorGNDYefanov, Oleksandr-
item.creatorGNDBarty, Anton-
item.creatorGNDWhite, Thomas A.-
item.creatorGNDMariani, Valerio-
item.creatorGNDBrehm, Wolfgang-
item.creatorGNDTolstikova, Aleksandra-
item.creatorGNDGrigat, Rolf-Rainer-
item.creatorGNDChapman, Henry N.-
crisitem.author.deptBildverarbeitungssysteme E-2-
crisitem.author.deptBildverarbeitungssysteme E-2-
crisitem.author.orcid0000-0001-9273-7648-
crisitem.author.orcid0000-0001-8676-0091-
crisitem.author.orcid0000-0001-7611-5128-
crisitem.author.orcid0000-0003-0653-2123-
crisitem.author.orcid0000-0002-2450-5877-
crisitem.author.orcid0000-0002-4655-1743-
crisitem.author.parentorgStudiendekanat Elektrotechnik, Informatik und Mathematik-
crisitem.author.parentorgStudiendekanat Elektrotechnik, Informatik und Mathematik-
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