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It is shown that peak integration by the σ(I)/I method is equivalent to a least‐squares method that uses a weight matrix W≠Vy−1, where Vy is the variance‐covariance matrix of the observations. By the Gauss–Markov theorem, this gives variances for the estimated parameters that are...
Evaluation of the performance of a new peak‐integration procedure was made by numerical methods based on the Monte Carlo simulation technique. This new procedure has the advantage of quantitative estimation of integration accuracy by comparison with the theoretical model which is free from...
This paper demonstrates for the first time a method for preparing cryocooled xenon‐derivatized protein crystals. The method is based upon the hypothesis and subsequent observation that the diffusion of a xenon atom from a tight binding site following depressurization occurs on a timescale of...
A new stand‐alone program, LOCSCL, for anisotropic local scaling of single‐isomorphous‐replacement or single‐wavelength‐anomalous‐scattering pairs of data sets is described. The program features statistical weighting of the least‐squares fit of the scale factors, statistical...
In this paper, main higher‐order Laue zone (HOLZ) lines over a cubic orientational triangle range in barium titanate (BaTiO3) ceramics are obtained by theoretical simulation as well as experimental observation. The tiny difference of the lattice parameters between the pure BaTiO3 and...
A thin‐film multilayer device, used as a monochromator for a white beam of neutrons, also reflects the long‐wavelength component of the primary beam due to total reflection from the constituent materials of the multilayer and the substrate. This part of the spectrum consists of the primary...
The polarization state of the transmitted beam in Bragg‐case X‐ray dynamical diffraction was determined in dependence on the deviation from the centre of the reflection curve. Because of their low absorption, lithium fluoride crystals were examined. The transmission rocking curves were...
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