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By calculating the diffraction peak height, we can say that the relative crystallinity of USY zeolite was decreased from 60.71 to 56.56 % after modification.
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In addition, we have simulated the X-ray diffraction data by calculating the cylindrically averaged scattering intensity transforms for the models of arrays of chains.
The variations of the cellulose microfibril size were analyzed by calculating the Scherrer size from equatorial and meridional diffraction peaks.
RAPDF determines the quality of a model by calculating the sum of logodds scores for all interatomic distances within the model derived from frequencies observed in diffraction structures.
On the other hand, the diffraction efficiency may be obtained experimentally by measuring the intensity I {−1} and the transmission coefficient of a cell T. The common formula (8) is valid to calculate the diffraction efficiency in a large range.
The average crystalline sizes can be roughly calculated by the diffraction peaks.
Unit cell parameters were calculated from the diffraction data by minimizing the sum of the squares of residuals of 2θ.
The focal volume is subsequently calculated by evaluating the diffraction integral in Eq. (1) with the modified wavefront.
In it he showed how to calculate the densities of diffracting materials from their X-ray diffraction patterns.
We therefore employed PLATON/SQUEEZE to calculate the contribution of the solvent region to the diffraction and thereby produced a set of solvent-free diffraction intensities.
Polcarová (1978 a ▸, b ▸, 1980 ▸), largely based on this theory by Kato, calculated diffraction intensities from a crystal having a misfit boundary, to a final form, but did not deal with moiré fringes.
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