Complete Raw and Processed REyes Dataset: Autonomous MicroED Collection for (S,S)-Salen Ligand
收藏资源简介:
Example of autonomous data collection using REyes. Data was acquired on a Talos Arctica microscope with CETA-D camera from (S,S)-salen ligand. The archives contain all components necessary to reproduce published results. Raw Data - salen_arctica_ceta-d.zip: Data as is, collected using SerialEM with REyes scipts: Grid montage Diffraction mapping data Continuous rotation microED movies SerialEM log files Processed Data - salen_arctica_ceta-d-processed.zip: Data as is, collected using SerialEM with REyes scipts, all the output data generated by pyREyes, and data processing results by AutoProcess and AutoSolve: All raw data REyes grid square search results (original as in the paper and with latest pyREyes package) REyes eucentricity correction results REyes diffraction quality evaluation Final ranked target lists AutoProcess indexing results for all movies SHELX phasing results as obtained by AutoSolve microscope_configs.json file EXECUTE_COMMAND.txt Important Note: All data has been re-processed using the current version of pyREyes. To ensure identical results, the original 0-0_grid_squares.py and its output are also provided. The grid square selection represents the only difference from the original processing. This dataset serves as a complete working example. The same data as well as additional raw data reported in the paper are mirrored at https://miledd.caltech.edu/shared/.



