S-Ibuprofen - Sample 3 NanED Round Robin, Data: ESR8 & ESR9

General information:

Project

NanED (www.naned.eu)

ESR Project

ESR8 & ESR9 - Round Robin

Project Label

RR3

Sample Label

RR3-S3_PRAHA

Data set Label

RR_Cry8

Instrumental:

Instrument

FEI TECNAI F30 STWIN

Radiation source

FEG

Accelerating voltage

300 kV

Wavelength

0.0197 Å

Probe Type

Nanodiffraction

Beam Diameter

200nm

Beam Convergence

Semi-parallel beam

Detector

US4000 - CCD camera GATAN (16-bit) (bottom mounted)

Number of pixels in the image

1024 x 1024

Pixel size

15 µm x 15 µm

Camera length / Effective Camera length

1000 mm / 1153 mm

Calibration constant (not corrected for Effective Camera length)

0.00252 Å^-1/pixel

Hardware Binning

4

Sample description:

Name

S-Ibuprofen

Chemical composition

C₁₃H₁₈O₂

Sample source

Sample preparation

Crystals were grinded in an Agatha mortar, and part of the resulting powder was loaded directly on the carbon side of a carbon-coated copper grid (300 mesh). Sample cooled to liquid nitrogen temperature in the pre-specimen chamber.

Experimental:

Data Type

Electron diffraction data - 3D ED

Data collection method

Precession

Temperature (K) used during data collection

77 K

Number of crystals contributing to the data set

1

Number of experimental frames

116

tilt range, tilt step, tilt per frame

-50° to +65°, 1°, 0°

Precession angle

1°

Exposure time per frame

1 s

Software:

Software used for the data collection

Gatan Digital Micrograph software

Software used for processing

PETS2 and eADT

Authorship and bibliography

Author(s) of the data

Laura Gemmrich Hernández (ESR8) & Marco Santucci (ESR9)

Related data

Publication(s)

Files and data formats

Image folder

img: Folder containing images of the diffraction pattern from each frame.

Image format

tiff_16bit_unsigned