A probability-based socring technique for phase identification in X-ray powder diffraction

Autor:	C. Surdukowski, W. N. Schreiner, R. Jenkins
Rok vydání:	1982
Předmět:	Crystallography Materials science Kernel (statistics) Scoring algorithm Line (geometry) X-ray Phase (waves) Probability distribution General Biochemistry Genetics and Molecular Biology Powder diffraction Computational physics Electron backscatter diffraction
Zdroj:	Journal of Applied Crystallography. 15:524-530
ISSN:	0021-8898
DOI:	10.1107/s0021889882012515
Popis:	A multiphase identification search/match algorithm based on a probability scoring procedure has been designed and implemented as the kernel of the SANDMAN program. The probability distributions associated with the inexactitudes of the line intensities and d spacings (line positions) are discussed. Methods are developed to narrow the widths of the distributions by separating systematic and random errors. The probability-based scoring algorithm is applied to diffractograms exhibiting substantial specimen displacement error, small broad peaks and large line-intensity variations.
Databáze:	OpenAIRE
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