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Natrolite - Sample 2 NanED, Data ESR1 & ESR2

The following submission contains the data collection frames for the sample Natrolite under the NanED round-robin project.  Precession Electron Diffraction (PED) as well as Continuous Rotation Electron Diffraction were carried out on two different single crystal. The datasets were processed with PETS2 and XDS software and refined both kinematically and dynamically using Jana. The table below summarizes the data collection parameters for the data sets. Continuous Rotation: <table> <tbody> <tr> <td>General Information</td> <td> </td> </tr> <tr> <td>Project</td> <td>NanED (www.naned.eu)</td> </tr> <tr> <td>ESR Project</td> <td>ESR1 & ESR2</td> </tr> <tr> <td>Instrumental</td> <td> </td> </tr> <tr> <td>Instrument</td> <td>Zeiss Libra 120</td> </tr> <tr> <td>Radiation source</td> <td>LaB6</td> </tr> <tr> <td>Accelerating voltage</td> <td>120 kV</td> </tr> <tr> <td>Wavelength</td> <td>0.0335 Å</td> </tr> <tr> <td>Probe Type</td> <td>Nanodiffraction</td> </tr> <tr> <td>Beam Diameter</td> <td>600 nm</td> </tr> <tr> <td>Beam Convergence</td> <td>Parallel beam</td> </tr> <tr> <td>Detector</td> <td>Timepix Single Electron Detector</td> </tr> <tr> <td>Number of pixels in the image</td> <td>512 x 512</td> </tr> <tr> <td>Physical pixel size</td> <td>55 µm * 55 µm</td> </tr> <tr> <td>Effective camera length</td> <td>144 mm</td> </tr> <tr> <td>Calibration constant</td> <td>0.006027 Å-1/pixel</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td>Sample description</td> <td> </td> </tr> <tr> <td>Name</td> <td>Natrolite</td> </tr> <tr> <td>Chemical composition</td> <td>Na2Al2Si3O10·2H2O</td> </tr> <tr> <td>Sample source</td> <td>Natural sample from Marianska Skala, Usti nad Labem, Czechia</td> </tr> <tr> <td>Sample preparation</td> <td>Crushed with a mortar and diluted using isopropanol before depositing a drop on a Cu grid.</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td>Experimental</td> <td> </td> </tr> <tr> <td>Data type</td> <td>3D Electron Diffraction (3D-ED)</td> </tr> <tr> <td>Data collection method</td> <td>Continuous Rotation Electron Diffraction (CRED)</td> </tr> <tr> <td>Rotation Speed</td> <td>2.00 º/s</td> </tr> <tr> <td>Temperature</td> <td>293 K</td> </tr> <tr> <td>Number of crystals contributing to the dataset</td> <td>1</td> </tr> <tr> <td>Number of experimental frames</td> <td>293</td> </tr> <tr> <td>Tilt range, tilt step</td> <td>-60º to +55, 0.4º</td> </tr> <tr> <td>Exposure time per frame</td> <td>200 ms</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td>Software</td> <td> </td> </tr> <tr> <td>Software used for data collection</td> <td>WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics)</td> </tr> <tr> <td>Software used for processing</td> <td>XDS</td> </tr> <tr> <td>Software used for solution</td> <td>Shelxt</td> </tr> <tr> <td>Software used for refinement</td> <td>Jana</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td>Authorship and bibliography</td> <td> </td> </tr> <tr> <td>Author(s) of the data</td> <td>Moussa Diame FAYE (ESR1) & Vincentia Emerson Agbemeh (ESR2)</td> </tr> <tr> <td>Related data</td> <td> </td> </tr> <tr> <td>Publication(s)</td> <td> </td> </tr> <tr> <td> </td> <td> </td> </tr> </tbody> </table>   Precession: <table> <tbody> <tr> <td>General Information</td> <td> </td> </tr> <tr> <td>Project</td> <td>NanED (www.naned.eu)</td> </tr> <tr> <td>ESR Project</td> <td>ESR1 & ESR2</td> </tr> <tr> <td>Instrumental</td> <td> </td> </tr> <tr> <td>Instrument</td> <td>Zeiss Libra 120</td> </tr> <tr> <td>Radiation source</td> <td>LaB6</td> </tr> <tr> <td>Accelerating voltage</td> <td>120 kV</td> </tr> <tr> <td>Wavelength</td> <td>0.0335 Å</td> </tr> <tr> <td>Probe Type</td> <td>Nanodiffraction</td> </tr> <tr> <td>Beam Diameter</td> <td>150 nm</td> </tr> <tr> <td>Beam Convergence</td> <td>Parallel beam</td> </tr> <tr> <td>Detector</td> <td>Timepix Single Electron Detector</td> </tr> <tr> <td>Number of pixels in the image</td> <td>512 x 512</td> </tr> <tr> <td>Physical pixel size</td> <td>55 µm * 55 µm</td> </tr> <tr> <td>Effective camera length</td> <td>144 mm</td> </tr> <tr> <td>Calibration constant</td> <td>0.006027 Å-1/pixel</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td>Sample description</td> <td> </td> </tr> <tr> <td>Name</td> <td>Natrolite</td> </tr> <tr> <td>Chemical composition</td> <td>Na2Al2Si3O10·2H2O</td> </tr> <tr> <td>Sample source</td> <td>Natural sample from Marianska Skala, Usti nad Labem, Czechia</td> </tr> <tr> <td>Sample preparation</td> <td>Crushed with a mortar and diluted using isopropanol before depositing a drop on a Cu grid.</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td>Experimental</td> <td> </td> </tr> <tr> <td>Data type</td> <td>3D Electron Diffraction (3D-ED)</td> </tr> <tr> <td>Data collection method</td> <td>Precession</td> </tr> <tr> <td>Precession Semiangle</td> <td>1º  </td> </tr> <tr> <td>Temperature</td> <td>293 K</td> </tr> <tr> <td>Number of crystals contributing to the dataset</td> <td>1</td> </tr> <tr> <td>Number of experimental frames</td> <td>116</td> </tr> <tr> <td>Tilt range, tilt step</td> <td>-59º to +55, 1º</td> </tr> <tr> <td>Exposure time per frame</td> <td>1000 ms</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td>Software</td> <td> </td> </tr> <tr> <td>Software used for data collection</td> <td>WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics)</td> </tr> <tr> <td>Software used for processing</td> <td>PETS2</td> </tr> <tr> <td>Software used for solution</td> <td>SIR2019</td> </tr> <tr> <td>Software used for refinement</td> <td>Jana</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td>Authorship and bibliography</td> <td> </td> </tr> <tr> <td>Author(s) of the data</td> <td>Moussa Diame FAYE (ESR1) & Vincentia Emerson Agbemeh (ESR2)</td> </tr> <tr> <td>Related data</td> <td> </td> </tr> <tr> <td>Publication(s)</td> <td> </td> </tr> <tr> <td> </td> <td> </td> </tr> </tbody> </table>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship: 8
Harmonization: 4
Access: 16
Reuse readiness: 0
Engagement: 4

Topics

3D ED 3DED MicroED 3D Electron Diffraction Electron Diffraction Precession Electron Diffraction Tomography Precession Electron Diffraction PEDT PED Pets2 Jana XDS Continuous Rotation Electron Diffraction Continuous Rotation cRED SIR2019