MicroED data associated with "Integrating Ion Mobility–Resolved Tandem Mass Spectrometry and Microcrystal Electron Diffraction for Structural Elucidation" collected on TimePix4

MicroED data: continuous rotation data sets were collected on a JEOL CryoARM300 ( operated at 200 kV) equipped with a prototype Merlin T4 event-driven hybrid pixel detector using SerialEM and custom detector control software. Datasets were collected from 8 different crystals for TS1IS5 (all used for final structure elucidation and refinement) and a single crystal for TS3IS5. Each dataset was collected with an approximate flux of 0.0163 e-/ Å^2/s-1, giving a final total fluence of 0.975 e-/Å^2 for a 60-degree wedge of data collected at 1 degree per second. Datasets were converted to MRC format from the H5 event list (using a Python toolkit to be released later) with a time interval per frame of 0.5 s. All datasets were processed in DIALS, and an example bash script is provided in each folder where datasets were collected under the same conditions. A Python script (run_dials_all_dir.py) is included to automatically process all datasets. Experimental parameters are as follows: Accelerating voltage: 200 kV Wavelength: 0.025079 Camera length: 461.496 mm (nominal value 300 mm) Exposure time: 60 s total (0.5 s per frame) Rotation speed: 1 degrees/s Rotation: 60 degrees Detector area: Pixel size: 0.055 mm Spot size: 7 Angle: 4 C2 aperture: 40 µm SA aperture: 100 µm (2 µm at the sample) Energy filter slit width: 30 ev (where inserted)