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In this paper the anisotropy of anomalous scattering at the Br K‐absorption edge in brominated nucleotides is investigated, and it is shown that this effect can give rise to a marked directional dependence of the anomalous signal strength in X‐ray diffraction data. This implies that choosing...
Crystallographic data collected on a CCD using a diamond anvil cell may present overlapping diamond and sample reflections. These false intensities may not be rejected by common data processing programs and may affect the final hkl list. A utility was developed that shades these reflections...
The capabilities of an Si(511) channel‐cut monochromator used with an X‐ray tube with copper anode are presented. By passing this Si(511) channel‐cut crystal, X‐rays become both monochromatic and linearly polarized. The monochromaticity of the resulting beam is proved by angular...
A new module has been developed for the widely used General Utility Lattice Program (GULP). The phonon‐based theory developed by Chung & Thorpe (Phys. Rev. B (1999), 59, 4807–4812) to calculate pair distribution function (PDF) peak widths has been utilized to give a selection of commonly used...
This document presents a Python script designed to store and analyse the outcome of the factorial designs of macromolecular crystallization experiments for X‐ray diffraction. The resulting script comprises three classes with all the methods needed to perform the analysis.
IL MILIONE is a suite of computer programs devoted to protein crystal structure determination by X‐ray crystallography. It may be used in the following key activities. (a) Ab initio phasing, via Patterson or direct methods. The program may succeed even with structures with up to 6000 non‐H...
The electron density map of a block copolymer thin film having the hexagonally perforated layer (HPL) structure was directly obtained from the measured grazing‐incidence small‐angle X‐ray scattering (GISAXS) pattern, exploiting the multiple‐scattering phenomena present in GISAXS. It is...
The two‐dimensional Fourier transform (2D‐FT) is well suited to the extraction of features to differentiate image texture, and the classification of images based on information acquired from the frequency domain provides a complementary method to approaches based within the spatial domain....
The structural properties of an epitaxically grown Fe/Cr/Fe trilayer were studied with anomalous X‐ray scattering. Two different X‐ray energies have been used: (i) E1 = 5985 eV to match the maximum contrast of the Fe/Cr interface close to the Cr absorption K edge; (ii) E2 = 6940 eV where the...
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