DOI: 10.5281/zenodo.7636052
title: Enantiopure Ibuprofen - Sample 3 NanED, Data ESR1 & ESR2

description: General Information
			 
		
		
			Project
			NanED (www.naned.eu)
		
		
			ESR Project
			ESR1 & ESR2
		
		
			Instrumental
			 
		
		
			Instrument
			Zeiss Libra 120
		
		
			Radiation source
			LaB6
		
		
			Accelerating voltage
			120 kV
		
		
			Wavelength
			0.0335 Å
		
		
			Probe Type
			Nanodiffraction
		
		
			Beam Diameter
			600 nm
		
		
			Beam Convergence
			Parallel beam
		
		
			Detector
			Timepix Single Electron Detector
		
		
			Number of pixels in the image
			512 x 512
		
		
			Physical pixel size
			55 µm * 55 µm
		
		
			Effective camera length
			180 mm
		
		
			Calibration constant
			0.004815 Å-1/pixel
		
		
			 
			 
		
		
			Sample description
			 
		
		
			Name
			Ibuprofen
		
		
			Chemical composition
			C13H18O2
		
		
			Sample source
			Thermo Scientific (catalog. No: 333200050, lot: A0424385)
		
		
			Sample preparation
			Crushed between two glass slides
		
		
			 
			 
		
		
			Experimental
			 
		
		
			Data type
			3D Electron Diffraction (3D-ED)
		
		
			Data collection method
			Continuous Rotation Electron Diffraction (CRED)
		
		
			Rotation Speed
			1.125 º/s
		
		
			Temperature
			95.15 K
		
		
			Number of crystals contributing to the dataset
			1
		
		
			Number of experimental frames
			226
		
		
			Tilt range, tilt step
			-60º to +55, 0.5º
		
		
			Exposure time per frame
			450 ms
		
		
			 
			 
		
		
			Software
			 
		
		
			Software used for data collection
			WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics)
		
		
			Software used for processing
			Pets2
		
		
			Software used for solution
			Shelxt
		
		
			Software used for refinement
			Jana, Olex2
		
		
			 
			 
		
		
			Authorship and bibliography
			 
		
		
			Author(s) of the data
			Moussa Diame FAYE (ESR1) & Vincentia Emerson Agbemeh (ESR2)
		
		
			Related data
			 
		
		
			Publication(s)
			 
		
		
			 
			 
		
	



 


Precession:



	
		
			General Information
			 
		
		
			Project
			NanED (www.naned.eu)
		
		
			ESR Project
			ESR1 & ESR2
		
		
			Instrumental
			 
		
		
			Instrument
			Zeiss Libra 120
		
		
			Radiation source
			LaB6
		
		
			Accelerating voltage
			120 kV
		
		
			Wavelength
			0.0335 Å
		
		
			Probe Type
			Nanodiffraction
		
		
			Beam Diameter
			150 nm
		
		
			Beam Convergence
			Parallel beam
		
		
			Detector
			Timepix Single Electron Detector
		
		
			Number of pixels in the image
			512 x 512
		
		
			Physical pixel size
			55 µm * 55 µm
		
		
			Effective camera length
			180 mm
		
		
			Calibration constant
			0.004815 Å-1/pixel
		
		
			 
			 
		
		
			Sample description
			 
		
		
			Name
			Ibuprofen
		
		
			Chemical composition
			C13H18O2
		
		
			Sample source
			Thermo Scientific (catalog. No: 333200050, lot: A0424385)
		
		
			Sample preparation
			Crushed between two glass slides
		
		
			 
			 
		
		
			Experimental
			 
		
		
			Data type
			3D Electron Diffraction (3D-ED)
		
		
			Data collection method
			Precession
		
		
			Precession Semiangle
			1º  
		
		
			Temperature
			95.15 K
		
		
			Number of crystals contributing to the dataset
			1
		
		
			Number of experimental frames
			104
		
		
			Tilt range, tilt step
			-60 to +55, 1º
		
		
			Exposure time per frame
			1000 ms
		
		
			 
			 
		
		
			Software
			 
		
		
			Software used for data collection
			WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics)
		
		
			Software used for processing
			PETS2
		
		
			Software used for solution
			Shelxt
		
		
			Software used for refinement
			Jana
		
		
			 
			 
		
		
			Authorship and bibliography
			 
		
		
			Author(s) of the data
			Moussa Diame FAYE (ESR1) & Vincentia Emerson Agbemeh (ESR2)
		
		
			Related data
			 
		
		
			Publication(s)