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Particle statistics in x-ray diffractometry

I. General theory

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Applied Scientific Research, Section B

Summary

Expressions are derived for the relative r.m.s. errorσ of diffractometer intensity measurements. The result for stationary specimens:

$$\sigma = 4R[\sin \theta /m w h N_{eff} ]^{\tfrac{1}{2}} $$

withh=1/2(h F+h S) and\(N_{eff} = cA\bar v/\mu v^2 \), is identical with the result of Alexander c.s.1), except for a slight difference in the numerical constant and in the definition ofw. The value of this parameter is found to lie betweenɛR+(w F, wS) min (the last term indicating the smallest of the widthsw F andw S) andɛR+1/2(w F+w F); it reaches the latter limit in the case of integrated intensities being measured by totalizing counts while scanning through a line. For rotating specimens the particle statistics error turns out to be almost independent ofw. The following approximative formula is established:σ=6.5R sinΘ/h(mN eff)1/2, showing that the factor of improvement resulting from specimen rotation is of the order of (h/w)1/2.

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Abbreviations

A :

area of cross-section of primary beam at the goniometer axis

c :

volume concentration in the specimen of the reflecting phase

ε :

rocking angle of the reflecting phase, in radians

h F :

length of focal line

h S :

length of receiving slit

μ :

average absorption coefficient of the specimen

m :

multiplicity factor of reflection under investigation

I :

measured intensity minus background

J :

intensity contribution from a single particle

N eff :

effective number of irradiated particles of reflecting phase

R :

distance source-goniometer axis, distance goniometer axis-receiving slit

v :

volume of particle of reflecting phase

w F :

apparent width of focal line

w S :

width of receiving slit

References

  1. Alexander, L., H. P. Klug and E. Kummer, J. Appl. Phys.19 (1948) 742.

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Part. II: Experiments, by P. M. de Wolff, Jeanne M. Taylor and W. Parrish, is in the course of preparation.

Work done when on leave of absence (Nov. 1954–May 1955) from Technisch Physische Dienst T.N.O. and T.H., Delft, Netherlands.

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de Wolff, P.M. Particle statistics in x-ray diffractometry. Appl. sci. Res. 7, 102–112 (1959). https://doi.org/10.1007/BF02921902

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  • DOI: https://doi.org/10.1007/BF02921902

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