6533b85ffe1ef96bd12c12b0
RESEARCH PRODUCT
Application of clustering techniques to electron-diffraction data: determination of unit-cell parameters.
Elmar SchömerUte KolbAndrew StewartTatiana GorelikThorsten RaaschSebastian Schlittsubject
DiffractionDBSCANbusiness.industryComputer sciencePhysics::OpticsPattern recognitionDiffraction tomographyOpticsElectron diffractionStructural BiologyArtificial intelligencebusinessCluster analysisNoisy datadescription
A new approach to determining the unit-cell vectors from single-crystal diffraction data based on clustering analysis is proposed. The method uses the density-based clustering algorithm DBSCAN. Unit-cell determination through the clustering procedure is particularly useful for limited tilt sequences and noisy data, and therefore is optimal for single-crystal electron-diffraction automated diffraction tomography (ADT) data. The unit-cell determination of various materials from ADT data as well as single-crystal X-ray data is demonstrated.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2012-07-20 | Acta crystallographica. Section A, Foundations of crystallography |