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Title:
BEST SOLUTION CALCULATION METHOD AND DOMINANT SOLUTION CALCULATION METHOD FOR CALCULATION PARAMETER IN POWDER DIFFRACTION PATTERN, AND PROGRAM THEREOF
Document Type and Number:
WIPO Patent Application WO/2018/221718
Kind Code:
A1
Abstract:
Provided is a method which is capable of calculating a calculation parameter with high accuracy from an observation diffraction pattern of a powder sample. A best solution calculation method for a calculation parameter in an observation diffraction pattern used for crystal structure analysis of a powder sample is provide with: a third convergence value calculation process (600) which calculates each of at least three convergence values; a third best solution determination process (700) which calculates adaptabilities and determines whether each of the at least three calculated convergence values is a true solution by using respective peak position shift parameters of the at least three calculated convergence values; and a first global solution calculation process (800) which calculates a global solution that is the true solution by using each of the obtained adaptabilities.

Inventors:
TSUBOTA MASAMI (JP)
Application Number:
PCT/JP2018/021153
Publication Date:
December 06, 2018
Filing Date:
June 01, 2018
Export Citation:
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Assignee:
PHYSONIT INC (JP)
International Classes:
G01N23/207
Foreign References:
JP2014178203A2014-09-25
JP2012194074A2012-10-11
Other References:
HILL, R. J.: "International Union of Crystallography Commission on Powder Diffraction Reitveld Refinement Round Robin. I. Analysis of Standard X-ray and Neutron Data for PbS04", JOURNAL OF APPLIED CRYSTALLOGRAPHY, vol. 25, 1992, pages 589 - 610
Attorney, Agent or Firm:
MATSUMOTO Fumihiko (JP)
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