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Benchmarking 3D difference PDF Analysis

Benchmarking 3D difference PDF Analysis

Measurement of diffuse scattering data and subsequent three-dimensional difference pair-distribution function (3D-ΔPDF) analysis of correlated disorder are compared for in-house and synchrotron sources.

https://ow.ly/r7rh50Y5mcu

Acta Cryst A #3DΔPDF #DiffuseScattering #CorrelatedDisorder

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a.k.a. #DiffuseScattering from correlated disorder, veeery correlated... and very substitutional! I cannot see any absences in the hk0; one would need more slices to guess 😄 The extra peaks have a 6-fold point group sym, looks like what is disordered has a 6- or 3-fold sym in its projection along c

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With such beautiful large crystals I'm looking forward to seeing what the reciprocal space reconstructions look like and if there's some useful #DiffuseScattering in there!

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Preview
Lizard Scale Patterns Described with Antiferromagnetic Model The pattern of green and black scales on an ocellated lizard can be described with the two-parameter Ising model for antiferromagnetic systems.

Lizards are surely among crystallographers' fave pets together with photonic-crystal beetles and forever-twinned sea urchins... but for #DiffuseScattering & #CorrelatedDisorder nerds nothing beats lizards... 🥇💯 physics.aps.org/articles/v15...

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Let's go with some single crystal #diffusescattering posting! Glad I have company, we need more reciprocal space beauty around here. Very nice @molecularfoundry.bsky.social 😎

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An extended version of Piet Mondrian's renowned artwork "Composition in Red, Blue and Yellow", which consists of a closely packed tiling of rectangles with different length/width ratios. Most of them are white, but a minority are yellow, blue or red, and distributed randomly.

An extended version of Piet Mondrian's renowned artwork "Composition in Red, Blue and Yellow", which consists of a closely packed tiling of rectangles with different length/width ratios. Most of them are white, but a minority are yellow, blue or red, and distributed randomly.

The Fourier transform of the reproduced Piet Mondrian's work, showing a cross-shaped diffuse pattern with a more sharp cross in the middle, dampened by oscillations along the lines. The overall pattern is bright and intense yellow in the centre, then adopting a more smooth red tint, and a darker-blue tone as it approaches the borders of the picture.

The Fourier transform of the reproduced Piet Mondrian's work, showing a cross-shaped diffuse pattern with a more sharp cross in the middle, dampened by oscillations along the lines. The overall pattern is bright and intense yellow in the centre, then adopting a more smooth red tint, and a darker-blue tone as it approaches the borders of the picture.

As promised, here's the real&Fourier space pair nr 50. This time we explore correlated disorder in an extended version of Piet Mondrian's most famous artwork. Understanding the frequency spectrum is quite an adventure... #diffusescattering #crystallography #reciprocart #generativeart

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A single crystal X-ray diffraction image shows a few intensity spots and a distorted web of diffuse, strong intensity streaks.

A single crystal X-ray diffraction image shows a few intensity spots and a distorted web of diffuse, strong intensity streaks.

"One crystallographer's trash is another crystallographer's treasure" 💎 🕸️ #diffusescattering #totalscattering #crystallography #MOFs

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Post image

To make diffuse scattering techniques more accessible, software for data processing called mdx2 has been created that is both convenient to use and simple to extend and modify. #DiffuseScattering #MacromolecularCrystallography #DataProcessing t.co/WhOnF9BH2k

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