TY - JOUR T1 - Xtrapol8: automatic elucidation of low-occupancy intermediate-states in crystallographic studies JF - bioRxiv DO - 10.1101/2022.01.09.475568 SP - 2022.01.09.475568 AU - Elke De Zitter AU - Nicolas Coquelle AU - Thomas RM Barends AU - Jacques-Philippe Colletier Y1 - 2022/01/01 UR - http://biorxiv.org/content/early/2022/01/11/2022.01.09.475568.abstract N2 - Unstable states studied in kinetic, time-resolved and ligand-based crystallography are often characterized by a low occupancy, hindering structure determination by conventional methods. To automatically extract such structures, we developed Xtrapol8, a program which (i) applies various flavors of Bayesian-statistics weighting to generate the most informative Fourier difference maps; (ii) determines the occupancy of the intermediate state; (iii) calculates various types of extrapolated structure factors, and (iv) refines the corresponding structures.Competing Interest StatementThe authors have declared no competing interest. ER -