@article {Balken:jl5065,
	title = {Upgrade of {\i}t D+ software for hierarchical modeling of X-ray scattering data from complex structures in solution, fibers and single orientations}},
	journal = {Journal of Applied Crystallography},
	volume = {56},
	number = {4},
	year = {2023},
	month = {Aug},
	pages = {1295{\textendash}1303},
	abstract = {This article presents an upgrade of the {\i}t D}+ software [Ginsburg {\i}t et al.} (2019). {\i}t J. Appl. Cryst.} \bf 52, 219{\textendash}242], expanding its hierarchical solution X-ray scattering modeling capabilities for fiber diffraction and single crystallographic orientations. This upgrade was carried out using the reciprocal grid algorithm [Ginsburg {\i}t et al.} (2016). {\i}t J. Chem. Inf. Model.} \bf 56, 1518{\textendash}1527], providing {\i}t D}+ its computational strength. Furthermore, the extensive modifications made to the Python API of {\i}t D}+ are described, broadening the X-ray analysis performed with {\i}t D}+ to account for the effects of the instrument-resolution function and polydispersity. In addition, structure-factor and radial-distribution-function modules were added, taking into account the effects of thermal fluctuations and intermolecular interactions. Finally, numerical examples demonstrate the usage and potential of the added features.},
	keywords = {D+ software, fiber diffraction, hierarchical modeling, orientations, polydispersity, structure factors, X-ray scattering},
	doi = {10.1107/S1600576723005319},
	url = {https://doi.org/10.1107/S1600576723005319},
	author = {Balken, Eytan and Ben-Nun, Itai and Amos Fellig and Khaykelson, Daniel and Raviv, Uri}
}
