DOI: 10.5281/zenodo.13835774
title: Datasets used for Automated EffortLess MicroED Graphic User Interface (AutoLEI): Tyrosine (12) and Lysozyme (71)

description: 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