GEO-LEOedocs LogoGEO-LEOedocs Logo
  • GEO-LEO
    • Deutsch
    • English
  • GEO-LEO
  • English 
    • Deutsch
    • English
  • Login
View Item 
  •   Home
  • Alle Publikationen
  • Geochemie, Mineralogie, Petrologie
  • View Item
  •   Home
  • Alle Publikationen
  • Geochemie, Mineralogie, Petrologie
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Domain Auto Finder (DAFi) program: the analysis of single‐crystal X‐ray diffraction data from polycrystalline samples

Aslandukov, Andrey
Aslandukov, Matvii
Dubrovinskaia, Natalia
Dubrovinsky, Leonid
DOI: https://doi.org/10.1107/S1600576722008081
Persistent URL: http://resolver.sub.uni-goettingen.de/purl?gldocs-11858/10443
Aslandukov, Andrey; Aslandukov, Matvii; Dubrovinskaia, Natalia; Dubrovinsky, Leonid, 2022: Domain Auto Finder (DAFi) program: the analysis of single‐crystal X‐ray diffraction data from polycrystalline samples. In: Journal of Applied Crystallography, Band 55, 5: 1383 - 1391, DOI: 10.1107/S1600576722008081.
 
Thumbnail
View/Open
JCR2_JCR2IU5028.pdf (1.020Mb)
Metadata Export:
Endnote
BibTex
RIS
  • Abstract
This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. Superposition of numerous reflections originating from a large number of single‐crystal domains of the same and/or different (especially unknown) phases usually precludes the sorting of reflections coming from individual domains, making their automatic indexing impossible. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data. Further indexing of all found subsets can be easily performed using widely accessible crystallographic packages. As the algorithm neither requires a priori crystallographic information nor is limited by the number of phases or individual domains, DAFi is powerful software to be used for studies of multiphase polycrystalline and microcrystalline (powder) materials. The algorithm is validated by testing on X‐ray diffraction data sets obtained from real samples: a multi‐mineral basalt rock at ambient conditions and products of the chemical reaction of yttrium and nitrogen in a laser‐heated diamond anvil cell at 50 GPa. The high performance of the DAFi algorithm means it can be used for processing SC‐XRD data online during experiments at synchrotron facilities.
 
This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data and neither requires a priori crystallographic information nor is limited by the number of phases or individual domains.
Statistik:
View Statistics
Collection
  • Geochemie, Mineralogie, Petrologie [395]
Subjects:
single‐crystal domain auto finder
DAFi
single‐crystal X‐ray diffraction
polycrystalline samples
multiphase mixtures
This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

ImpressumPrivacy (Opt-Out)Cookie ConsentsAbout us/ContactDeposit LicenseSubmission hintsSupport: fid-geo-digi@sub.uni-goettingen.de
DFGSUBFID GEOFID Montan
 

 

Submit here
Submission hints
Search hints

All of Geo-Leo e-docsCommunities & CollectionsBy Issue DateContributorsSubjectsPeriodicalsTitlesThis CollectionBy Issue DateContributorsSubjectsPeriodicalsTitles

Statistics

View Usage Statistics

ImpressumPrivacy (Opt-Out)Cookie ConsentsAbout us/ContactDeposit LicenseSubmission hintsSupport: fid-geo-digi@sub.uni-goettingen.de
DFGSUBFID GEOFID Montan