Method and system for analyzing diffraction data from crystalline systems
US6859519B2 · kind B2 · utility
Assignee
Inventor
Key dates
| Filing date | May 22, 2003 |
| Grant date | Feb 22, 2005 |
| Priority date | — |
| Expiry date | Aug 5, 2023 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG01N23/207
- WIPO fieldMeasurement
- WIPO sectorInstruments
Abstract
A method and system for indexing powder diffraction data are disclosed comprising choosing a maximum impurity peak tolerance level for a crystallography data search, choosing a range of number of calculated peaks for possible indexing solutions having a minimum number of peaks and a maximum number of peaks, selecting a crystal system to search, selecting powder extinction classes to search for indexing solutions, performing an exhaustive unit cell search of each of the selected powder extinction classes using a successive dichotomy approach to determine a set of indexing results, and ranking the obtained solutions according to likelihood.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.