Bragg reflection - PowerPoint PPT Presentation

Least squares &amp; Rietveld

Least squares &amp; Rietveld. Have n points in powder pattern w/ observed intensity values Y i obs Minimize this function:. Least squares &amp; Rietveld. Minimize this function: Substitute for Y i calc background at point i. Least squares &amp; Rietveld. Minimize this function:

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Structure factors

z. w j c. r j. c. a. b. v j b. u j a. The intensity of a reflection is proportional to:. y. x. Structure factors. X-ray:. The structure factors for x-ray, neutron and electron diffraction are similar. For neutrons and electrons we need only to replace by f j (n) or f j (e).

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Bragg reflection - PowerPoint PPT Presentation

Least squares &amp;amp; Rietveld

Structure factors

Least squares & Rietveld