If you’re making use of any RSS packages, amazing! Please cite them as follows:
Laue-DIALS: open-source software for polychromatic X-ray diffraction data. Rick A. Hewitt, Kevin M. Dalton, Derek 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: non-isomorphous difference maps for X-ray crystallography. Dennis E. Brookner and Doeke R. Hekstra. Journal of Applied Crystallography, 2024
A unifying Bayesian framework for merging X-ray diffraction data. Kevin M. Dalton, Jack B. Greisman, Doeke R. Hekstra. Nature Communications, 2022
reciprocalspaceship: a Python library for crystallographic data analysis. Jack B. Greisman, Kevin M. Dalton, Doeke R. Hekstra. Journal of Applied Crystallography, 2021
SFCalculator: connecting deep generative models and crystallography. Minhuan Li, Kevin M. Dalton, Doeke R. Hekstra. bioRxiv (preprint)
ABISMAL Repository. Kevin M. Dalton, Huanghao Doris Mai, Doeke R. Hekstra. GitHub, 2025
RS-Booster Repository. 1 / Astronauts. GitHub, 2025
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!
Resolving DJ-I 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)
Scaling and merging time-resolved Laue data 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
Sensitive detection of structural differences using a statistical framework for comparative crystallography. Doeke R. Hekstra, Harrison K. Wang, Margaret A. Klureza, Jack B. Greisman, Kevin M. Dalton. bioRxiv (preprint)
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
Emerging Time-Resolved X-Ray Diffraction Approaches for Protein Dynamics. Doeke R. Hekstra. Annu. Rev. Biophys., 2023
Correcting systematic errors in diffraction data with modern scaling algorithms. Luis A. Aldama and Kevin M. Dalton, Doeke R. Hekstra. Acta Crystallographica D, 2023
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
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