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Published in 2019 at "Journal of Solid State Chemistry"
DOI: 10.1016/j.jssc.2019.04.035
Abstract: Abstract Bi2TeO5 has been obtained in polycrystalline form via solid state reaction and structurally characterized from both synchrotron and neutron powder diffraction data, enabling the precise determination of the atomic positions. The crystal structure is…
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Keywords:
synchrotron neutron;
neutron diffraction;
crystal structure;
diffraction data ... See more keywords
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Published in 2021 at "Materials Characterization"
DOI: 10.1016/j.matchar.2020.110860
Abstract: Abstract We describe the analysis of in-situ HT-XRD data of a dual phase stainless steel exposed to a complex thermal cycle of heating, holding and cooling. For the conditions used only low quality diffraction data…
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Keywords:
phase;
low signal;
noise ratio;
approach ... See more keywords
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Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.09.089
Abstract: Abstract The structure determination from laboratory X-ray powder diffraction data of oxamic acid, a derivative of the biologically active oxalic acid and the simplest organic acid containing an amide group, is presented in this contribution.…
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Keywords:
structure determination;
oxamic acid;
structure;
diffraction data ... See more keywords
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Published in 2017 at "Powder Diffraction"
DOI: 10.1017/s0885715617000586
Abstract: X-ray powder diffraction data, unit-cell parameters, and space group for S-2-(methylamino)-2-phenylcyclohexan-1-one hydrochloride, C13H18ClNO, are reported [a = 6.578 (1) Å, b = 13.250 (2) Å, c = 15.096 (2) Å, β = 91.619 (3)°, unit-cell…
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Keywords:
powder diffraction;
hydrochloride c13h18clno;
diffraction;
ray powder ... See more keywords
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Published in 2017 at "Powder Diffraction"
DOI: 10.1017/s0885715617000781
Abstract: A powder diffraction measurement system constructed on a beam-line BL5S2 at Aichi Synchrotron Radiation Center in Seto, Japan, has been modified for extensive use of two-dimensional (2D) X-ray detectors. Four flat 2D detectors are currently…
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Keywords:
powder diffraction;
powder;
ray;
diffraction data ... See more keywords
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Published in 2020 at "Powder Diffraction"
DOI: 10.1017/s0885715620000445
Abstract: A deconvolutional method for preprocessing powder diffraction data has been improved. The cumulants of instrumental aberration functions of Bragg-Brentano (Parrish) diffractometer calculated up to the fourth order are presented. The treatments of axial-divergence aberration and…
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Keywords:
bragg brentano;
diffractometer;
powder diffraction;
diffraction data ... See more keywords
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Published in 2018 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927618002945
Abstract: The advent of high-speed, high dynamic range, and low-noise pixelated detectors ushers in a new regime for scanning transmission electron microscopy (STEM) [1]. The efficient acquisition of a full diffraction pattern at each point in…
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Keywords:
machine learning;
microscopy;
diffraction;
scanning diffraction ... See more keywords
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Published in 2022 at "Nature Communications"
DOI: 10.1101/2021.01.05.425510
Abstract: Novel X-ray methods are transforming the study of the functional dynamics of biomolecules. Key to this revolution is detection of often subtle conformational changes from diffraction data. Diffraction data contain patterns of bright spots known…
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Keywords:
diffraction data;
framework merging;
unifying bayesian;
diffraction ... See more keywords
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Published in 2019 at "Journal of Applied Crystallography"
DOI: 10.1107/s1600576719005922
Abstract: The policy of IUCr Journals on diffraction data is defined.
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Keywords:
findable accessible;
crystallography findable;
diffraction data;
diffraction ... See more keywords
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Published in 2022 at "Journal of Applied Crystallography"
DOI: 10.1107/s160057672200276x
Abstract: Iterative optimization of the unit-cell parameters improves the refinement of organic small-molecule structures using electron diffraction data.
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Keywords:
small molecule;
unit cell;
diffraction data;
electron diffraction ... See more keywords
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Published in 2017 at "IUCrJ"
DOI: 10.1107/s2052252516018315
Abstract: There are rapid developments in storage options for the preservation and reuse of raw data within the scientific domain of the IUCr and its Commissions, each of which operates within a great diversity of instrumentation.…
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Keywords:
data preservation;
preservation;
reuse overview;
preservation reuse ... See more keywords