Datasets used for Automated EffortLess MicroED Graphic User Interface (AutoLEI): Tyrosine (12) and Lysozyme (71)

The Automated EffortLess MicroED Graphic User Interface (AutoLEI) is designed to automatically process and merge batches of rotation electron diffraction datasets using XDS[1]. This small GUI tool aims to streamline data processing and minimize the need for manual data processing. The two datasets below are examples used in the Automated EffortLess MicroED Graphic User Interface (AutoLEI) paper *Both datasets include processed results and raw images. You can ignore or delete processed xds files simply by clicking "Delete xds" in Autolei. A. Data information Dataset 1: Tyrosine (Small molecule) Dataset 2: Lysozyme (Macro molecule) B. Data collection 12/12 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 51/71 Lysozyme data was collected with a CMOS CetaD detector installed on a Titan Krios G3i equipped with an autoloader. Data collection software: EPUD Cryo-EM infrastructure unit, Scilifelab, Stockholm. Data #Frame Step (°) Start (°) End (°) Rotation axis.(°) WL (Å) Camera_l (mm) Size1 Size2 Pixel Size (1/nm) data1 29 0.5 0.0 14.5 -173.5 0.01968 1155.0 2048 2048 12.318 data2 29 0.5 0.0 14.5 -173.7 0.01968 1155.0 2048 2048 12.318 data3 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318 data4 29 0.5 0.0 14.5 -174.4 0.01968 1155.0 2048 2048 12.318 data5 29 0.5 0.0 14.5 -175.1 0.01968 1155.0 2048 2048 12.318 data6 29 0.5 0.0 14.5 -174.6 0.01968 1155.0 2048 2048 12.318 data7 29 0.5 0.0 14.5 -175.2 0.01968 1155.0 2048 2048 12.318 data8 29 0.5 0.0 14.5 -174.4 0.01968 1155.0 2048 2048 12.318 data9 29 0.5 0.0 14.5 -174.8 0.01968 1155.0 2048 2048 12.318 data10 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318 data11 29 0.5 0.0 14.5 -175.4 0.01968 1155.0 2048 2048 12.318 data12 29 0.5 0.0 14.5 -174.7 0.01968 1155.0 2048 2048 12.318 data13 29 0.5 0.0 14.5 -174.6 0.01968 1155.0 2048 2048 12.318 data14 29 0.5 0.0 14.5 -175.4 0.01968 1155.0 2048 2048 12.318 data15 29 0.5 0.0 14.5 -174.5 0.01968 1155.0 2048 2048 12.318 data16 29 0.5 0.0 14.5 -175.9 0.01968 1155.0 2048 2048 12.318 data17 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318 data18 29 0.5 0.0 14.5 -174.8 0.01968 1155.0 2048 2048 12.318 data19 29 0.5 0.0 14.5 -175.2 0.01968 1155.0 2048 2048 12.318 data20 28 0.5 0.0 14.0 -174.7 0.01968 1155.0 2048 2048 12.318 data21 29 0.5 0.0 14.5 -171.6 0.01968 1155.0 2048 2048 12.318 data22 29 0.5 0.0 14.5 -173.7 0.01968 1155.0 2048 2048 12.318 data23 29 0.5 0.0 14.5 -175.7 0.01968 1155.0 2048 2048 12.318 data24 29 0.5 0.0 14.5 -174.6 0.01968 1155.0 2048 2048 12.318 data25 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318 data26 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318 data27 29 0.5 0.0 14.5 -174.6 0.01968 1155.0 2048 2048 12.318 data28 28 0.5 0.0 14.0 -175.6 0.01968 1155.0 2048 2048 12.318 data29 26 0.5 0.0 13.0 -174.6 0.01968 1155.0 2048 2048 12.318 data30 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318 data31 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318 data32 29 0.5 0.0 14.5 -174.3 0.01968 1155.0 2048 2048 12.318 data33 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318 data34 29 0.5 0.0 14.5 -174.8 0.01968 1155.0 2048 2048 12.318 data35 29 0.5 0.0 14.5 -175.2 0.01968 1155.0 2048 2048 12.318 data36 29 0.5 0.0 14.5 -175.2 0.01968 1155.0 2048 2048 12.318 data37 29 0.5 0.0 14.5 -174.2 0.01968 1155.0 2048 2048 12.318 data38 29 0.5 0.0 14.5 -174.4 0.01968 1155.0 2048 2048 12.318 data39 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318 data40 29 0.5 0.0 14.5 -176.6 0.01968 1155.0 2048 2048 12.318 data41 29 0.5 0.0 14.5 -175.4 0.01968 1155.0 2048 2048 12.318 data42 29 0.5 0.0 14.5 -173.9 0.01968 1155.0 2048 2048 12.318 data43 29 0.5 0.0 14.5 -174.1 0.01968 1155.0 2048 2048 12.318 data44 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318 data45 29 0.5 0.0 14.5 -175.0 0.01968 1155.0 2048 2048 12.318 data46 29 0.5 0.0 14.5 -174.2 0.01968 1155.0 2048 2048 12.318 data47 29 0.5 0.0 14.5 -174.9 0.01968 1155.0 2048 2048 12.318 data48 29 0.5 0.0 14.5 -175.3 0.01968 1155.0 2048 2048 12.318 data49 29 0.5 0.0 14.5 -175.6 0.01968 1155.0 2048 2048 12.318 data50 29 0.5 0.0 14.5 -175.7 0.01968 1155.0 2048 2048 12.318 data51 29 0.5 0.0 14.5 -175.3 0.01968 1155.0 2048 2048 12.318 C. Reference [1] Kabsch. W. “XDS”, ACTA CRYSTALLOGRAPHICA SECTION D, 2010