Data

Gold Nanoparticle HRTEM Image Data Set

Commonwealth Scientific and Industrial Research Organisation
Chen, Kunpeng ; Chang, Shery ; Opletal, George ; Barnard, Amanda
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=info:doi10.25919/8248-qg72&rft.title=Gold Nanoparticle HRTEM Image Data Set&rft.identifier=https://doi.org/10.25919/8248-qg72&rft.publisher=Commonwealth Scientific and Industrial Research Organisation&rft.description=This is a set of 4000 unique gold (Au) nanoparticle simulated HRTEM images, for use in data-driven studies. Original Cartesian coordinates can be found from: https://doi.org/10.25919/5d395ef9a4291, corresponding to the Nanoparticle_id. 3000 nanoparticles were randomly chosen for the training set, and the remaining 1000 for the testing set. All files are in PNG format, and the naming convention is defined in the accompanying csv files that lists all of the manually extracted target labels (previously features of the original Cartesian set). Sizes range from 236 atoms to 14277 atoms, with both crystalline and non-crystalline configurations and regions. Each nanoparticle has been (randomly) rotated 340 times around the x, y and z axis (roll, pitch and yaw) after splitting, and the HRTEM simulated with abTEM software based on the multislice method. The training set contains 1,020,000 unique images, and the testing set contains 340,000 unique images. The HRTEM imaging parameters included accelerating voltage of 300kV, a divergence angle (semi-angle) of 100 mrad, a focal spread of 30 Angstroms, and a spherical aberration of 7μm with a Scherzer defocus using 0.05 for sampling.&rft.creator=Chen, Kunpeng &rft.creator=Chang, Shery &rft.creator=Opletal, George &rft.creator=Barnard, Amanda &rft.date=2025&rft.edition=v1&rft_rights=Creative Commons Attribution 4.0 International Licence https://creativecommons.org/licenses/by/4.0/&rft_rights=Data is accessible online and may be reused in accordance with licence conditions&rft_rights=All Rights (including copyright) CSIRO, Australian National University 2025.&rft_subject=HRTEM&rft_subject=nanoparticle&rft_subject=gold&rft_subject=benchmark&rft_subject=synthetic&rft_subject=Theory and design of materials&rft_subject=Macromolecular and materials chemistry&rft_subject=CHEMICAL SCIENCES&rft_subject=Applications in physical sciences&rft_subject=Applied computing&rft_subject=INFORMATION AND COMPUTING SCIENCES&rft.type=dataset&rft.language=English Access the data
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Creative Commons Attribution 4.0 International Licence
https://creativecommons.org/licenses/by/4.0/

Data is accessible online and may be reused in accordance with licence conditions

All Rights (including copyright) CSIRO, Australian National University 2025.

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This is a set of 4000 unique gold (Au) nanoparticle simulated HRTEM images, for use in data-driven studies. Original Cartesian coordinates can be found from: https://doi.org/10.25919/5d395ef9a4291, corresponding to the Nanoparticle_id. 3000 nanoparticles were randomly chosen for the training set, and the remaining 1000 for the testing set. All files are in PNG format, and the naming convention is defined in the accompanying csv files that lists all of the manually extracted target labels (previously features of the original Cartesian set). Sizes range from 236 atoms to 14277 atoms, with both crystalline and non-crystalline configurations and regions. Each nanoparticle has been (randomly) rotated 340 times around the x, y and z axis (roll, pitch and yaw) after splitting, and the HRTEM simulated with abTEM software based on the multislice method. The training set contains 1,020,000 unique images, and the testing set contains 340,000 unique images. The HRTEM imaging parameters included accelerating voltage of 300kV, a divergence angle (semi-angle) of 100 mrad, a focal spread of 30 Angstroms, and a spherical aberration of 7μm with a Scherzer defocus using 0.05 for sampling.

Available: 2025-08-04

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Subjects
Applications in Physical Sciences | Applied Computing | Chemical Sciences | HRTEM | Information and Computing Sciences | Macromolecular and Materials Chemistry | Theory and Design of Materials | benchmark | gold | nanoparticle | synthetic |

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Identifiers
ACN 633 798 857