On single-crystal total scattering data reduction and correction protocols for analysis in direct space.

CuIr2S4 PDF analysis data reduction pair distribution function analysis single-crystal 3D differential PDF total scattering

Journal

Acta crystallographica. Section A, Foundations and advances
ISSN: 2053-2733
Titre abrégé: Acta Crystallogr A Found Adv
Pays: United States
ID NLM: 101620182

Informations de publication

Date de publication:
01 Nov 2021
Historique:
received: 17 05 2021
accepted: 30 09 2021
entrez: 2 11 2021
pubmed: 3 11 2021
medline: 3 11 2021
Statut: ppublish

Résumé

Data reduction and correction steps and processed data reproducibility in the emerging single-crystal total-scattering-based technique of three-dimensional differential atomic pair distribution function (3D-ΔPDF) analysis are explored. All steps from sample measurement to data processing are outlined using a crystal of CuIr

Identifiants

pubmed: 34726636
pii: S2053273321010159
doi: 10.1107/S2053273321010159
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

611-636

Subventions

Organisme : U.S. Department of Energy
ID : DE-SC0012704

Commentaires et corrections

Type : ErratumIn

Auteurs

Robert J Koch (RJ)

Condensed Matter Physics and Materials Science Division, Brookhaven National Laboratory, Upton, NY 11973, USA.

Nikolaj Roth (N)

Center for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University, DK-8000, Aarhus, Denmark.

Yiu Liu (Y)

Condensed Matter Physics and Materials Science Division, Brookhaven National Laboratory, Upton, NY 11973, USA.

Oleh Ivashko (O)

Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany.

Ann Christin Dippel (AC)

Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany.

Cedomir Petrovic (C)

Condensed Matter Physics and Materials Science Division, Brookhaven National Laboratory, Upton, NY 11973, USA.

Bo B Iversen (BB)

Center for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University, DK-8000, Aarhus, Denmark.

Martin V Zimmermann (M)

Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany.

Emil S Bozin (ES)

Condensed Matter Physics and Materials Science Division, Brookhaven National Laboratory, Upton, NY 11973, USA.

Classifications MeSH