Datasets used for Automated EffortLess MicroED Graphic User Interface (AutoLEI): Tyrosine (12), MOF SU-100 (16), protein MutT homolog 1 (38) and Lysozyme (71)

The Automated real-time and offline batch 3D ED/microED data processing graphic user interface (AutoLEI) is designed to automatically process and merge batches of rotation electron diffraction datasets using XDS[1]. This GUI aims to streamline data processing and minimize the need for manual data processing. The four datasets below are examples used in the Automated EffortLess MicroED Graphic User Interface (AutoLEI) paper. Paper doi: https://doi.org/10.1107/S2052252525010784 GUI available: https://zenodo.org/records/15206752    A. Data information Dataset 1: Tyrosine (Small molecule), 12 datasets in total Dataset 2: SU-100 (Small molecule), 16 datasets in total Dataset 3: MutT homolog 1 (Macro molecule), 38 datasets in total Dataset 4: Lysozyme (Macro molecule), 71 datasets in total   B. Data collection  Tyrosine data was collected with an ASI Timepix hybrid detector installed on a JEOL JEM-2100 (200 kV) microscope equipped with a LaB6 filament. A Gatan 914 cryo-holder is employed to collect data at cryo temperature. Data collection software: Instamatic. Electron Microscopy Center, the Department of Materials and Environmental Chemistry, Stockholm University. Data #Frame Step (°) Start (°) End (°) Rotation axis.(°) WL (Å) Camera_l (mm) Size1 Size2 Pixel Size (1/nm) data1 415 0.233 -50.82 45.44 129.2 0.0251 439.48 516 516 49.860 data2 475 0.233 -57.19 53.07 129.4 0.0251 439.48 516 516 49.860 data3 139 0.232 -51.23 -19.17 128.6 0.0251 439.48 516 516 49.860 data4 421 0.233 -50.67 47.01 128.9 0.0251 439.48 516 516 49.860 data5 448 0.233 -54.51 49.43 130.1 0.0251 439.48 516 516 49.860 data6 330 0.233 -54.97 21.54 129.1 0.0251 439.48 516 516 49.860 data7 41 0.232 -57.39 -48.12 128.3 0.0251 439.48 516 516 49.860 data8 459 0.233 -53.60 53.03 128.7 0.0251 439.48 516 516 49.860 data9 430 0.233 -38.49 61.25 129.7 0.0251 439.48 516 516 49.860 data10 509 0.233 -56.38 61.91 128.6 0.0251 439.48 516 516 49.860 data11 353 0.223 -61.69 16.79 130.2 0.0251 439.48 516 516 49.860 data12 514 0.233 -52.99 66.36 129.2 0.0251 439.48 516 516 49.860   SU-100 data was collected with an ASI Timepix hybrid detector installed on a JEOL JEM-2100 (200 kV) microscope equipped with a LaB6 filament. A Gatan 914 cryo-holder is employed to collect data at cryo temperature. Data collection software: Instamatic. Electron Microscopy Center, the Department of Materials and Environmental Chemistry, Stockholm University. Data #Frame Step (°) Start (°) End (°) Rotation axis.(°) WL (Å) Camera_l (mm) Size1 Size2 Pixel Size (1/nm) data1 248 0.233 -16.82 40.64 131.2 0.0251 439.48 516 516 49.860 data2 486 0.233 -55.22 57.62 129.4 0.0251 439.48 516 516 49.860 data3 472 0.232 -51.78 57.67 129.3 0.0251 439.48 516 516 49.860 data4 399 0.232 -56.68 35.79 129.8 0.0251 439.48 516 516 49.860 data5 319 0.233 -15.51 58.42 126.1 0.0251 439.48 516 516 49.860 data6 302 0.233 -50.47 19.52 128.6 0.0251 439.48 516 516 49.860 data7 87 0.233 -50.01 -29.93 130.2 0.0251 439.48 516 516 49.860 data8 349 0.232 -57.04 23.81 130.5 0.0251 439.48 516 516 49.860 data9 475 0.233 -48.75 61.56 128.8 0.0251 439.48 516 516 49.860 data10 422 0.233 -48.35 49.53 128.2 0.0251 439.48 516 516 49.860 data11 415 0.233 -57.64 38.62 129.0 0.0251 439.48 516 516 49.860 data12 351 0.232 -54.26 26.95 128.2 0.0251 439.48 516 516 49.860 data13 466 0.233 -53.95 54.18 130.2 0.0251 439.48 516 516 49.860 data14 450 0.233 -51.83 52.56 129.0 0.0251 439.48 516 516 49.860 data15 443 0.233 -49.31 53.57 129.0 0.0251 439.48 516 516 49.860 data16 374 0.233 -39.30 47.46 129.3 0.0251 439.48 516 516 49.860   MutT homolog 1 data was collected with a CMOS CetaD detector installed on a Titan Krios G3i with an autoloader.  Data collection software: EPUD Cryo-EM infrastructure unit, Scilifelab, Stockholm. Rotation axis.(°) WL (Å) Camera_l (mm) Size1 Size2 Pixel Size (1/nm) -6.0 0.019687 2487.83 2048 2048 5.717   Lysozyme data was collected with a CMOS CetaD detector installed on a Titan Krios G2 with an autoloader.  Data collection software: EPUD Cryo-EM infrastructure unit, Scilifelab, Stockholm. Rotation axis.(°) WL (Å) Camera_l (mm) Size1 Size2 Pixel Size (1/nm) -174.4 0.01968 1155.0 2048 2048 12.318 C. Reference [1] Kabsch. W. “XDS”, ACTA CRYSTALLOGRAPHICA SECTION D, 2010