Publications

Pavan Kumar, V., Passuti, S., Zhang, B., Fujii, S., Yoshizawa, K., Boullay, P., Le Tonquesse, S., Prestipino, C., Raveau, B., Lemoine, P., Paecklar, A., Barrier, N., Zhou, X., Yoshiya, M., Suekuni, K., & Guilmeau, E.

Engineering Transport Properties in Interconnected Enargite-Stannite Type Cu2+xMn1−xGeS4 Nanocomposites

Angewandte Chemie - International Edition, 61(49)

Passuti, S., Varignon, J., David, A., & Boullay, P.

Scanning Precession Electron Tomography (SPET) for Structural Analysis of Thin Films along Their Thickness

Symmetry, 15(7)

Steinke, F., Hernandéz, L. G., Shearan, S. J. I., Pohlmann, M., Taddei, M., Kolb, U., & Stock, N.

Synthesis and Structure Evolution in Metal Carbazole Diphosphonates Followed by Electron Diffraction

Inorganic Chemistry, 62(1), 35–42

Matinyan, S., Demir, B., Filipcik, P., Abrahams, J. P., & Van Genderen, E.

Machine learning for classifying narrow-beam electron diffraction data

Acta Crystallographica Section A: Foundations and Advances, 79, 360–368

Khouchen, M., Klar, P. B., Chintakindi, H., Suresh, A., & Palatinus, L.

Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data

Acta Crystallographica. Section A, Foundations and Advances, 79, 427–439

Matinyan, S., & Pieter, J.

TERSE / PROLIX ( TRPX ) – a new algorithm for fast and lossless compression and decompression of diffraction and cryo-EM data research papers

Acta Crystallographica Section A: Foundations and Advances, 79, 536–541

Marchetti, D., Pedrini, A., Faye Diouf, M. D., Jandl, C., Steinfeld, G., Gemmi, M.

3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetrakis-4-(4-pyridyl)phenylmethane

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 79, 432-436

Matinyan, S., Filipcik, P., Pieter, J.

Deep learning applications in protein crystallography

Acta Crystallographica Section A: Foundations and Advances, 80, 1-17

Sala, A., Faye Diouf, M. D., Marchetti, D., Pasquale , L., Gemmi, M.

Mechanochemical synthesis and three-dimensional electron diffraction structure solution of a novel Cu-based protocatechuate metal−organic framework

Crystal Growth & Design, 24, 3246-3255

Gemmi, M.

3D ED/MicroED entering a new era

Acta Crystallographica Section C: Structural Chemistry ,80, 177-178

Matinyan, S., Filipcik, P., Van Genderen, E., & Abrahams, J. P.

DiffraGAN: a conditional generative adversarial network for phasing single molecule diffraction data to atomic resolution

Frontiers in Molecular Biosciences 11:1386963

How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors

Angelina Vypritskaia, Xiaodong Zou, Taimin Yang, David Waterman

Publication

Acta Crystallographica Section C: Structural Chemistry, 81(1), 2024

Ionisation of atoms determined by kappa refinement against 3D electron diffraction data

.

Journal article

Nature Communications, 2024

Oxyresveratrol datasets

Elena Husanu, Vincentia Emerson Agbemeh, Iryna Andrusenko, Danilo Marchetti, Daniele Sonaglioni, Mauro Gemmi

Dataset

Polymorphism in oxyresveratrol studied by 3D ED

Mauro Gemmi

Publication

In Situ Study of the Activation Process of MOF-74 Using Three-Dimensional Electron Diffraction

Matthias Quintelier, Amirhossein Hajizadeh, Alexander Zintler, Bruna F. Gonçalves, Roberto Fernández de Luis, Leili Esrafili Dizaji, Christophe M. L. Vande Velde, Stefan Wuttke, Joke Hadermann

Publication

Incommensurate Modulations and Perovskite Growth in LaxSr2–xMnO4−δ Affecting Solid Oxide Fuel Cell Conductivity

Daphne Vandemeulebroucke, Maria Batuk, Amirhossein Hajizadeh, Myriam Wastiaux, Pascal Roussel, Joke Hadermann

Publication

Ionisation of Atoms Determined by Kappa Refinement against 3D Electron Diffraction Data

Ashwin Suresh, Emre Yörük, Małgorzata Cabaj, Petr Brázda, Karel Výborný, Ondřej Sedláček, Hrushikesh Chintakindi, Lukáš Palatinus

Dataset

3D ED/MicroED entering a new era

Mauro gemmi

Publication

senikm/trpx: Introducing TERSE/PROLIX (TRPX): Next-Gen Lossless Compression for Diffraction & Cryo-EM Data

Senik Matinyan

Software

Natrolite - Sample 2 NanED Round Robin, Data: ESR10

Lei Wang

Dataset

Mechanochemical Synthesis and Three-Dimensional Electron Diffraction Structure Solution of a Novel Cu-Based Protocatechuate Metal–Organic Framework

Andrea Sala, Moussa D. Faye Diouf, Danilo Marchetti, Lea Pasquale, Mauro Gemmi

Data paper

Crystal Growth & Design, 2024

Structural Study of Organic Cocrystals Using 3D Electron Diffraction

Mauro Gemmi

Conference proceeding

Epidote - Sample 1 NanED Round Robin, Data: ESR11

Angelina Vypritskaia

Dataset

Natrolite - Sample 2 NanED Round Robin, Data: ESR10

Angelina Vypritskaia

Dataset

Deep learning applications in protein crystallography

Senik Matinyan, Pavel Filipcik, Jan Pieter Abrahams

Journal article

3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetra­kis-4-(4-pyridyl)phenyl­methane

Danilo Marchetti, Alessandro Pedrini, Chiara Massera, Moussa Diame Faye Diouf, Christian Jandl, Gunther Steinfeld, Mauro Gemmi

Publication

Acta Crystallographica Section B, 2023

Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data

Malak Khouchen, Paul Benjamin Klar, Hrushikesh Chintakindi, Ashwin Suresh, Lukas Palatinus

Journal article

Acta Crystallographica Section A: Foundations and Advances, 79(5), 427-439, 2023

TERSE/PROLIX (TRPX) – a new algorithm for fast and lossless compression and decompression of diffraction and cryo-EM data

Senik Matinyan, Jan Pieter Abrahams

Journal article

Acta Crystallographica Section A, 79(6), 2023

Scanning Precession Electron Tomography (SPET) for Structural Analysis of Thin Films along Their Thickness

Passuti Sara, Varignon Julien, David Adrian, Boullay Philippe

Dataset

Symmetry, 15(7), 1459, 2023

Scanning Precession Electron Tomography (SPET) for Structural Analysis of Thin Films along Their Thickness

Passuti Sara, Varignon Julien, David Adrian, Boullay Philippe

Journal article

Engineering Transport Properties in Interconnected Enargite-Stannite Type Cu2+xMn1−xGeS4 Nanocomposites

V. Pavan Kumar, S. Passuti, B. Zhang, S. Fujii, K. Yoshizawa, P. Boullay, S. Le Tonquesse, C. Prestipino, B. Raveau, P. Lemoine, A. Paecklar, N. Barrier, X. Zhou, M. Yoshiya, K. Suekuni, E. Guilmeau

Journal article

Topotactic redox cycling in SrFeO2.5+δ explored by 3D electron diffraction in different gas atmospheres

Maria Batuk, Daphne Vandemeulebroucke, Monica Ceretti, Werner Paulus, Joke Hadermann

Journal article

Journal of Materials Chemistry A, 11(1), 213-220, 2022

Machine learning for classifying narrow-beam electron diffraction data

Senik Matinyan, Burak Demir, Pavel Filipcik, Jan Pieter Abrahams, Eric van Genderen

Journal article

Ibuprofen - Sample 3 NanED Round Robin, Data: ESR10

Lei Wang

Dataset