Titlebook: Mathematical Techniques in Crystallography and Materials Science; Edward Prince Book 19942nd edition Springer-Verlag Berlin Heidelberg 199

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Estimation of Uncertainty,e data. We are then faced with the question, “How confident can we be that the parameters that give the best fit correspond to the facts concerning the physical or chemical quantities we were trying to measure?” This question resolves itself into the problem of estimating two distinct quantities, wh

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Significance and Accuracy,parameter, .?” In the two parameter problem of the previous chapter the question could be phrased, “Is the value of the coefficient, ., ‘significantly’ different from zero?” One way to answer this question is to find some . estimate of σ., and determine whether the spread of the values of . about th

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The Fast Fourier Transform,attering matter in the unit cell of a crystal, evaluated at the point . = .* + .* + .* in the reciprocal lattice. We are actually interested in the distribution of scattering matter, .(.), and we could determine it by means of the inverse Fourier transform if we had complete knowledge of the transfo

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