3DED/MicroED datasets
Published April 15, 2024 | Version v1
Dataset Open

3DED data of L-histidine

Creators

  • 1. ROR icon University of Southampton
  • 2. ROR icon University of Warwick

Description

3DED data of commerically obtained L-histidine monohydrochloride monohydrate were collected using continuous rotation in selected area mode. The table below summarizes generic data collection parameters for the data collections.

 

Project  
Project label  
Sample label NEDFSO_0023
Collection site University of Southampton, NCS
   
Instrumental  
Instrument Rigaku XtaLAB Synergy-ED, electron diffractometer
Radiation source LaB6
Accelerating voltage [kV] 200
Wavelength [Å] 0.02510
Probe type Parallel beam
Beam diameter  
Beam convergence Parallel beam
Detector Rigaku HyPix-ED, hybrid pixel array detector
Number of pixels in the image 775 x 385
Pixel size [µm] 100
Hardware binning 1
   
Sample description  
Name L-histidine monohydrochloride monohydrate
Chemical composition C6H9N3O2 · HCl · H2O
Sample source commercial
Grid Agar Scientific holey carbon coated copper grid 200 mesh
Sample preparation solid sample ground with mortar and pestle, dispersed between microscopy glass slides, grid tapped on solid, cryo transfer @ 175 K
Sample holder GATAN Elsa cryo-transfer holder 698
   
Experimental  
Data type Electron diffraction data - 3DED
Data collection method continuous rotation  - cRED
Collection temperature [K] 175
   
Software  
Software used for the data collection CrysAlisPro 1.171.43.112a
Software used for processing CrysAlisPro 1.171.43.119a
   
Files and data formats  
Image folders ./frames/xxx.rodhypix
./frames/PETS_exp_705/frames/xxx.tiff
Image format .rodhypix (Rigaku proprietary image format)
.tiff (16bit, converted with CrysAlisPro 1.171.43.119a)
Additional files

CrysAlisPro input files:
./expinfo/
./CrysalisExpSettings.ini
./exp_705.par
./exp_705.run
./new.ccd

PETS2 (http://pets.fzu.cz/) input file:
./frames/PETS_exp_705/exp_705.pts2

Crystal Image:
./exp_705_microed_grain_snapshot.jpg

 

Files

2024NEDFSO_0023.zip

Files (618.3 MB)

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md5:b460e7eaafa7962eb6521e1eae4e0fa1
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Additional details

Funding

Engineering and Physical Sciences Research Council
A National Electron Diffraction Facility for Nanomaterial Structural Studies EP/X014444/1

Dates

Collected
2023-03-06