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Deep learning applications in protein crystallography
Matinyan, S., Filipcik, P., & Abrahams, J. P. (2024). Deep learning applications in protein crystallography. Acta Crystallographica Section A: Foundations and Advances, 80(1), 1-17. https://doi.org/10.1107/S2053273323009300
Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness
Ferri, F., Bossuto, M. C., Anzini, P., Cervellino, A., Guagliardi, A., Bertolotti, F., & Masciocchi, N. (2023). Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness. Acta Crystallographica Section A: Foundations and Advances, 79(6), 587-596. https://doi.org/10.1107/S2053273323008446
Boris Gruber's contributions to mathematical crystallography
Grimmer, H. (2023). Boris Gruber's contributions to mathematical crystallography. Acta Crystallographica Section A: Foundations and Advances, A79, 295-300. https://doi.org/10.1107/S2053273323001961
Machine learning for classifying narrow-beam electron diffraction data
Matinyan, S., Demir, B., Filipcik, P., Abrahams, J. P., & van Genderen, E. (2023). Machine learning for classifying narrow-beam electron diffraction data. Acta Crystallographica Section A: Foundations and Advances, 79, 360-368. https://doi.org/10.1107/S2053273323004680
TERSE/PROLIX (TRPX) - a new algorithm for fast and lossless compression and decompression of diffraction and cryo-EM data
Matinyan, S., & Abrahams, J. P. (2023). TERSE/PROLIX (TRPX) - a new algorithm for fast and lossless compression and decompression of diffraction and cryo-EM data. Acta Crystallographica Section A: Foundations and Advances, 79(6), 536-541. https://doi.org/10.1107/S205327332300760X
Small-angle scattering tensor tomography algorithm for robust reconstruction of complex textures
Nielsen, L. C., Erhart, P., Guizar-Sicairos, M., & Liebi, M. (2023). Small-angle scattering tensor tomography algorithm for robust reconstruction of complex textures. Acta Crystallographica Section A: Foundations and Advances, 79(6), 515-526. https://doi.org/10.1107/S205327332300863X
New perspectives in macromolecular powder diffraction using single-photon-counting strip detectors: high-resolution structure of the pharmaceutical peptide octreotide
Spiliopoulou, M., Karavassili, F., Triandafillidis, D. P., Valmas, A., Fili, S., Kosinas, C., … Margiolaki, I. (2021). New perspectives in macromolecular powder diffraction using single-photon-counting strip detectors: high-resolution structure of the pharmaceutical peptide octreotide. Acta Crystallographica Section A: Foundations and Advances, 77, 186-195. https://doi.org/10.1107/S2053273321001698
Texture corrections for total scattering functions
Cervellino, A., & Frison, R. (2020). Texture corrections for total scattering functions. Acta Crystallographica Section A: Foundations and Advances, 76(3), 302-317. https://doi.org/10.1107/S2053273320002521
Reducing dynamical electron scattering reveals hydrogen atoms
Clabbers, M. T. B., Gruene, T., van Genderen, E., & Abrahams, J. P. (2019). Reducing dynamical electron scattering reveals hydrogen atoms. Acta Crystallographica Section A: Foundations and Advances, 75(1), 82-93. https://doi.org/10.1107/S2053273318013918
High-speed tensor tomography: iterative reconstruction tensor tomography (IRTT) algorithm
Gao, Z., Guizar-Sicairos, M., Lutz-Bueno, V., Schröter, A., Liebi, M., Rudin, M., & Georgiadis, M. (2019). High-speed tensor tomography: iterative reconstruction tensor tomography (IRTT) algorithm. Acta Crystallographica Section A: Foundations and Advances, 75, 223-238. https://doi.org/10.1107/S2053273318017394
Small-angle X-ray scattering tensor tomography: model of the three-dimensional reciprocal-space map, reconstruction algorithm and angular sampling requirements
Liebi, M., Georgiadis, M., Kohlbrecher, J., Holler, M., Raabe, J., Usov, I., … Guizar-Sicairos, M. (2018). Small-angle X-ray scattering tensor tomography: model of the three-dimensional reciprocal-space map, reconstruction algorithm and angular sampling requirements. Acta Crystallographica Section A: Foundations and Advances, 74(1), 12-24. https://doi.org/10.1107/S205327331701614X
Spatial displacement of forward-diffracted X-ray beams by perfect crystals
Rodriguez-Fernandez, A., Esposito, V., Sanchez, D. F., Finkelstein, K. D., Juranic, P., Staub, U., … Pedrini, B. (2018). Spatial displacement of forward-diffracted X-ray beams by perfect crystals. Acta Crystallographica Section A: Foundations and Advances, 74(2), 75-87. https://doi.org/10.1107/S2053273318001419
Thermoelectric transport properties in magnetically ordered crystals
Grimmer, H. (2017). Thermoelectric transport properties in magnetically ordered crystals. Acta Crystallographica Section A: Foundations and Advances, 73(4), 333-345. https://doi.org/10.1107/S2053273317005368
[Review of the book <em>Symmetry and physical properties of crystals</em>, by Cecile Malgrange, Christian Ricolleau and Michel Schlenker]
Grimmer, H. (2017). [Review of the book Symmetry and physical properties of crystals, by Cecile Malgrange, Christian Ricolleau and Michel Schlenker]. Acta Crystallographica Section A: Foundations and Advances, 73, 279-280. https://doi.org/10.1107/S2053273317002832
A total scattering Debye function analysis study of faulted Pt nanocrystals embedded in a porous matrix
Bertolotti, F., Moscheni, D., Migliori, A., Zacchini, S., Cervellino, A., Guagliardi, A., & Masciocchi, N. (2016). A total scattering Debye function analysis study of faulted Pt nanocrystals embedded in a porous matrix. Acta Crystallographica Section A: Foundations and Advances, 72(6), 632-644. https://doi.org/10.1107/S205327331601487X
The basics of crystallography and diffraction
Grimmer, H. (2016). The basics of crystallography and diffraction. Acta Crystallographica Section A: Foundations and Advances, 72, 173. https://doi.org/10.1107/S2053273315020926
Celebrating 100 years of the Debye scattering equation
Scardi, P., Billinge, S. J. L., Neder, R., & Cervellino, A. (2016). Celebrating 100 years of the Debye scattering equation. Acta Crystallographica Section A: Foundations and Advances, 72(6), 589-590. https://doi.org/10.1107/S2053273316015680
<em>Ab initio</em> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector
van Genderen, E., Clabbers, M. T. B., Das, P. P., Stewart, A., Nederlof, I., Barentsen, K. C., … Abrahams, J. P. (2016). Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector. Acta Crystallographica Section A: Foundations and Advances, 72, 236-242. https://doi.org/10.1107/S2053273315022500
Partial order among the 14 Bravais types of lattices: basics and applications
Grimmer, H. (2015). Partial order among the 14 Bravais types of lattices: basics and applications. Acta Crystallographica Section A: Foundations and Advances, 71, 143-149. https://doi.org/10.1107/S2053273314027351
Propagation of neutron spherical waves through a thick, vibrating Ge single crystal
Raitman, E., Gavrilov, V., Mjasishchev, D., Hoser, A., Seidel, O., & Stanh, J. (2013). Propagation of neutron spherical waves through a thick, vibrating Ge single crystal. Acta Crystallographica Section A: Foundations and Advances, 69(2), 189-196. https://doi.org/10.1107/S0108767312043905