International
Tables for
Crystallography
Volume C
Mathematical, physical and chemical tables
Edited by E. Prince

International Tables for Crystallography (2006). Vol. C. ch. 2.6, pp. 108-109

Section 2.6.2.6.1. Absolute scaling

R. Mayb

2.6.2.6.1. Absolute scaling

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Wignall & Bates (1987[link]) compare many different methods of absolute calibration of SANS data. Since the scattering from a thin water sample is frequently already being used for correcting the detector response [see §2.6.2.6.2[link]], there is an evident advantage for performing the absolute calibration by H2O scattering.

For a purely isotropic scatterer, the intensity scattered into a detector element of surface ΔA spanning a solid angle [\delta\Omega=\Delta A/4\pi L^2] can be expressed as [\Delta I=I_0(1-T_i)\delta\Omega g/4\pi,\eqno (2.6.2.6)]with [T_i] the transmission of the isotropic scatterer, i.e. the relation of the number of neutrons in the primary beam measured within a time interval [\Delta t] after having passed through the sample, [I_{Tr}], and the number of neutrons [I_0] observed within [\Delta t] without the sample. In practice, [T_i] is measured with an attenuated beam; typical attenuation factors are about 100 to 1000. g is a geometrical factor taking into account the sample surface and the solid angle subtended by the apparent source, i.e. the cross section of the neutron guide exit.

Vanadium is an incoherent scatterer frequently used for absolute scaling. Its scattering cross section, however, is more than an order of magnitude lower than that of protons. Moreover, the surface of vanadium samples has to be handled with much care in order to avoid important contributions from surface scattering by scratches. The vanadium sample has to be hermetically sealed to prevent hydrogen incorporation (Wignall & Bates, 1987[link]).

The coherent cross sections of the two protons and one oxygen in light water add up to a nearly vanishing coherent-scattering-length density, whereas the incoherent scattering length of the water molecule remains very high. The (quasi)isotropic incoherent scattering from a thin, i.e. about 1 mm or less, sample of 1H2O, therefore, is an ideal means for determining the absolute intensity of the sample scattering (Jacrot, 1976[link]; Stuhrmann et al., 1976[link]), on condition that the sample-to-detector distance L is not too large, i.e. up to about 10 m. A function [f(\sigma _t[{\rm H_2O}],\lambda)] that accounts for deviations from the isotropic behaviour due to inelastic incoherent-scattering contributions of 1H2O and for the influence of the wavelength dependence of the detector response has to be multiplied to the right-hand side of equation (2.6.2.6)[link] (May, Ibel & Haas, 1982[link]). f can be determined experimentally and takes values of around 1 for wavelengths around 1 nm.

Since the intensity scattered into a solid angle [\Delta\Omega] is [I(Q)=P(Q)NT_sI_0g \left(\textstyle\sum b_i-\rho _sV\right)^2, \eqno (2.6.2.7)]where P(Q) is the form factor of the scattering of one particle, and the geometrical factor g can be chosen so that it is the same as that of equation (2.6.2.6)[link] (same sample thickness and surface and identical collimation conditions), we obtain [I(Q)=4 \pi P(Q)NT_s\,f(\sigma _t[{\rm H_2O}],\lambda)\left(\textstyle\sum b_i-\rho _sV\right)^2 /(1-T[{\rm H_2O}]). \eqno (2.6.2.8)]

Note that the scattering intensities mentioned above are scattering intensities corrected for container scattering, electronic and neutron background noise, and, in the case of the sample, for the solvent scattering.

References

First citation Jacrot, B. (1976). The study of biological structures by neutron scattering from solution. Rep. Prog. Phys. 10, 911–953.Google Scholar
First citation May, R. P., Ibel, K. & Haas, J. (1982). The forward scattering of cold neutrons by mixtures of light and heavy water. J. Appl. Cryst. 15, 15–19.Google Scholar
First citation Stuhrmann, H. B., Haas, J., Ibel, K., de Wolf, B., Koch, M. H. J., Parfait, R. & Crichton, R. R. (1976). New low resolution model for 50S subunit of Escherichia coli ribosomes. Proc. Natl Acad. Sci. USA, 73, 2379–2383.Google Scholar
First citation Wignall, G. D. & Bates, F. S. (1987). Absolute calibration of small-angle neutron scattering data. J. Appl. Cryst. 20, 28–40.Google Scholar








































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