Ibuprofen - Sample 3 NanED Round Robin, Data: ESR10
Description
Ibuprofen
The following submission contains the data collection of datasets for the sample ibuprofen under the NanEd round-robin project. 10 crystals were identified, and datasets were collected using the continuous rotation data acquisition technique at liquid nitrogen temperature. All the datasets were processed with XDS software. The table below summarizes the data collection parameters for the datasets. The following data is also in the data folder as a Word file.
Continuous Rotation:
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General information: |
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Project |
NanED (www.naned.eu) |
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ESR Project |
ESR10 - Round Robin |
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Project Label |
RR-3 |
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Sample Label |
RR-3_SU |
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Data set Label |
RR3-1 to 10 |
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Instrumental: |
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Instrument |
Transmission electron microscope JEOL 2100 LaB6, Gatan 914 cryo-holder |
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Radiation source |
LaB6 |
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Accelerating voltage |
200 kV |
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Wavelength |
0.0251 Å |
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Probe Type |
Parallel beam |
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Beam Diameter |
6 μm |
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Beam Convergence |
Parallel beam, convergence <0.1mrad |
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Detector |
Hybrid pixel detector ASI Timepix (bottom mounted) |
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Number of pixels in the image |
512 x 512 |
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Pixel size |
55 µm x 55 µm |
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Effective camera length |
250 mm, 300 mm |
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Calibration constant |
0.004990 Å-1/pixel, 0.004120 Å-1/pixel |
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Sample description: |
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Name |
Ibuprofen |
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Chemical composition |
C13H18O2 |
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Sample source |
Thermo Scientific (catalog. No: 333200050, lot: A0424385) |
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Sample preparation |
Powder crushed in an agate mortar and deposited on a Cu Quantifoil grid, 300 mesh, R3.5/1. |
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Experimental: |
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Data Type |
Electron diffraction data - 3D ED |
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Data collection method |
Continuous Rotation |
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Temperature (K) used during data collection |
95.15 K |
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Number of crystals contributing to the data set |
10 |
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Number of experimental frames |
See cRED_log.txt in each dataset |
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tilt range, tilt step, tilt per frame |
See cRED_log.txt in each dataset |
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Exposure time per frame |
See cRED_log.txt in each dataset |
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Software: |
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Software used for the data collection |
Instamatic |
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Software used for processing |
XDS |
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Authorship and bibliography |
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Author(s) of the data |
Lei Wang (ESR 10) |
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Related data |
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Publication(s) |
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Files and data formats |
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Image folder |
REDp: Folder containing images of the diffraction pattern from each frame XDS: Folder containing images of the diffraction pattern from each frame |
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Image format |
mrc and img |
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Additional folders/files |
Crystal image : images of the crystal |
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cRED_log: log file of data collection |
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1.ed3d: input file for REDp |
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XDS.INP: input file for the program XDS |
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Notes: *Project Label "RR-3" stands for Round Robin 3 *RR-3 contains 10 individual datasets. |
Files
RR-3.zip
Files
(360.6 MB)
| Name | Size | Download all |
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md5:b1286c2fc26b14e72e39086954cba9cb
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360.6 MB | Preview Download |