Citing Reciprocal Space Station packages
If you’re making use of any RSS packages, amazing! Please cite them as follows:
ABISMAL
Abismal: Approximate Bayesian Inference for Scaling and Merging at Advanced Lightsources. Doris Mai, Doeke R Hekstra, Frédéric Poitevin, Kevin M Dalton. Structural Dynamics, 2025
Careless
Sensitive detection of structural dynamics using a statistical framework for comparative crystallography. Doeke R. Hekstra, Harrison K. Wang, Margaret A. Klureza, Jack B. Greisman, Kevin M. Dalton. Science Advances, 2025
A unifying Bayesian framework for merging X-ray diffraction data. Kevin M. Dalton, Jack B. Greisman, Doeke R. Hekstra. Nature Communications, 2022
Please cite both papers when using careless with the Double Wilson prior.
Laue-DIALS
Laue-DIALS: open-source software for polychromatic X-ray diffraction data. Rick A. Hewitt, Kevin M. Dalton, Derek A. Mendez, Harrison K. Wang, Margaret A. Klureza, Dennis E. Brookner, Jack B. Greisman, David McDonagh, Vukica Šrajer, Nicholas K. Sauter, Aaron S. Brewster, Doeke R. Hekstra. Structural Dynamics, 2024
MatchMaps
MatchMaps: non-isomorphous difference maps for X-ray crystallography. Dennis E. Brookner and Doeke R. Hekstra. Journal of Applied Crystallography, 2024
METEOR
Denoising and iterative phase recovery reveal low-occupancy populations in protein crystals. Alisia Fadini, Virginia Apostolopoulou, Thomas J. Lane, Jasper J. van Thor. Communications Biology, 2025
reciprocalspaceship
reciprocalspaceship: a Python library for crystallographic data analysis. Jack B. Greisman, Kevin M. Dalton, Doeke R. Hekstra. Journal of Applied Crystallography, 2021
ROCKET
AlphaFold as a Prior: Experimental Structure Determination Conditioned on a Pretrained Neural Network. Alisia Fadini, Minhuan Li, Airlie J. McCoy, Suresh Banjara, Hiroki Okumura, Eve Napier, Pietro Fontana, Amir R. Khan, Luca Jovine, Thomas C. Terwilliger, Randy J. Read, Doeke R. Hekstra & Mohammed AlQuraishi. Nature Methods, 2026
SFCalculator
SFCalculator: connecting deep generative models and crystallography. Minhuan Li, Kevin M. Dalton, Doeke R. Hekstra. bioRxiv (preprint), 2025
RSS in other publications
The following publications explore, expand upon, or apply RSS packages. If there’s a paper we’re missing, or you’ve recently published a paper using an RSS package, please let us know!
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Assessing the applicability of Bayesian inference for merging small molecule microED data. Huanghao Mai, Ariana Peck, Kevin M. Dalton, Lygia Silva de Moraes, Jessica E. Burch, Frédéric Poitevin, Hosea M. Nelson. chemRxiv (preprint), 2024
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Resolving DJ-1 glyoxalase catalysis using mix-and-inject serial crystallography at a synchrotron. Kara A. Zielinski and Cole Dolamore, Kevin M. Dalton, Nathan Smith, John Termini, Robert Henning, Vukica Srajer, Doeke R. Hekstra, Lois Pollack, Mark A. Wilson. bioRxiv (preprint), 2024
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Scaling and merging time-resolved pink-beam diffraction with variational inference. Kara A. Zielinski, Cole Dolamore, Harrison K. Wang, Robert W. Henning, Mark A. Wilson, Lois Pollack, Vukica Srajer, Doeke R. Hekstra, Kevin M. Dalton. Structural Dynamics, 2024
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Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Jack B. Greisman, Kevin M. Dalton, Dennis E. Brookner, Margaret A. Klureza, Candice J. Sheehan, In-Sik Kim, Robert W. Henning, Silvia Russi, Doeke R. Hekstra. PNAS, 2024
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Emerging Time-Resolved X-Ray Diffraction Approaches for Protein Dynamics. Doeke R. Hekstra. Annu. Rev. Biophys., 2023
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Correcting systematic errors in diffraction data with modern scaling algorithms. Luis A. Aldama and Kevin M. Dalton, Doeke R. Hekstra. Acta Crystallographica D, 2023
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Online Inference of Structure Factor Amplitudes for Serial X-ray Crystallography. Kevin M. Dalton and Doeke R. Hekstra. Machine Learning for Structural Biology Workshop, NeurIPS 2022
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Native SAD phasing at room temperature. Jack B. Greisman, Kevin M. Dalton, Candice J. Sheehan, Margaret A. Klureza, Igor Kurinov, Doeke R. Hekstra. Acta Crystallographica D, 2022