SINGLE: An open-source software package to identify the atomic-resolution structure of nanocrystals

Materials scientists typically use solution-phase transmission electron microscopy (TEM) to reveal the unique physicochemical properties of three-dimensional (3-D) structures of nano-crystals. In a new report on Science Advance, Cyril F. A research team from Reboul and Monash University, Australia, Seoul National University, South Korea, and Lawrence Berkeley National Laboratory US developed a single-particle Brownian 3-D reconstruction method. To accomplish this, they mimicked the ensemble of colloidal nanocrystals using graphene liquid cell transmission electron microscopy. The team obtained projection images of individually rotated nanocrystals using a direct electron detector to obtain an ensemble of 3-D reconstructions. In this work, he introduced computational methods for successfully reconstructing 3-D nanocrystals in atomic resolution and accomplished this by tracking individual particles throughout the time step. The method can identify/reject low-quality images that were different from biological cryo-electron microscopy to facilitate tailored strategies for 2-D / 3-D alignment. The team made the event available through an open-source software package known as SINGLE. The free software is available on GitHub.

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