cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc26ymmf
title: CCDC 2054265: Experimental Crystal Structure Determination

description: Related Article: Petra Cuřínová, Maximilian Winkler, Alena Krupková, Ivana Císařová, Jan Budka, Chang Nga Wun, Vratislav Blechta, Marek Malý, Lucie Červenková Št’astná, Jan Sýkora, Tomáš Strašák|2021|ACS Omega|6|15514|doi:10.1021/acsomega.1c02142
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc26yn72
title: CSD 2054284: Experimental Crystal Structure Determination

description: Related Article: Ralf Albrecht, Vincent Bretschneider, Thomas Doert, Michael Ruck|2021|Z.Anorg.Allg.Chem.|647|1702|doi:10.1002/zaac.202100016
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1zcgd6
title: CCDC 1828268: Experimental Crystal Structure Determination

description: Related Article: Cheng Zhang, Kemiao Hong, Chao Pei, Su Zhou, Wenhao Hu, A. Stephen K. Hashmi, Xinfang Xu|2021|Nat.Commun.|12|1182|doi:10.1038/s41467-021-21335-9
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc202pmf
title: CCDC 1849634: Experimental Crystal Structure Determination

description: Related Article: Cheng Zhang, Kemiao Hong, Chao Pei, Su Zhou, Wenhao Hu, A. Stephen K. Hashmi, Xinfang Xu|2021|Nat.Commun.|12|1182|doi:10.1038/s41467-021-21335-9
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26ynwq
title: CCDC 2054304: Experimental Crystal Structure Determination

description: Related Article: Maria Cristina Cassani, Francesca Gambassi, Barbara Ballarin, Daniele Nanni, Ilaria Ragazzini, Davide Barreca, Chiara Maccato, Antonietta Guagliardi, Norberto Masciocchi, Alessandro Kovtun, Katia Rubini, Elisa Boanini|2021|RSC Advances|11|204429|doi:10.1039/d1ra02686k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yppk
title: CCDC 2054329: Experimental Crystal Structure Determination

description: Related Article: Juan Feng, Jiayi Shi, Lan Wei, Mingqing Liu, Zhiming Li, Yuanjing Xiao, Junliang Zhang|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202215407
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yprm
title: CCDC 2054331: Experimental Crystal Structure Determination

description: Related Article: Yu Ma, Jiaqi Wang, Wuqian Guo, Shiguo Han, Jinlong Xu, Yi Liu, Lei Lu, Zhenda Xie, Junhua Luo, Zhihua Sun|2021|Adv.Funct.Mater.|31|2103012|doi:10.1002/adfm.202103012
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26ypsn
title: CCDC 2054332: Experimental Crystal Structure Determination

description: Related Article: Yu Ma, Jiaqi Wang, Wuqian Guo, Shiguo Han, Jinlong Xu, Yi Liu, Lei Lu, Zhenda Xie, Junhua Luo, Zhihua Sun|2021|Adv.Funct.Mater.|31|2103012|doi:10.1002/adfm.202103012
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26ypwr
title: CCDC 2054335: Experimental Crystal Structure Determination

description: Related Article: Rong Fu, Longyue Yu, Junying Zhang, Huidong Yu, Shengyu Feng, Xing-Dong XU|2022|Chin.Chem.Lett.|33|1993|doi:10.1016/j.cclet.2021.10.018
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26ypxs
title: CCDC 2054336: Experimental Crystal Structure Determination

description: Related Article: Rong Fu, Longyue Yu, Junying Zhang, Huidong Yu, Shengyu Feng, Xing-Dong XU|2022|Chin.Chem.Lett.|33|1993|doi:10.1016/j.cclet.2021.10.018
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yqb7
title: CCDC 2054349: Experimental Crystal Structure Determination

description: Related Article: Yogesh Kumar Maurya, Pingchun Wei, Takahide Shimada, Kazuhisa Yamasumi, Shigeki Mori, Ko Furukawa, Hajime Kusaba, Tatsumi Ishihara, Yongshu Xie, Masatoshi Ishida, Hiroyuki Furuta|2021|Chem.Asian J.|16|743|doi:10.1002/asia.202100083
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yqc8
title: CCDC 2054350: Experimental Crystal Structure Determination

description: Related Article: Yogesh Kumar Maurya, Pingchun Wei, Takahide Shimada, Kazuhisa Yamasumi, Shigeki Mori, Ko Furukawa, Hajime Kusaba, Tatsumi Ishihara, Yongshu Xie, Masatoshi Ishida, Hiroyuki Furuta|2021|Chem.Asian J.|16|743|doi:10.1002/asia.202100083
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26t8cp
title: CCDC 2050072: Experimental Crystal Structure Determination

description: Related Article: Ouafa Khalfaoui, Adel Beghidja, Chahrazed Beghidja, Yannick Guari, Joulia Larionova, Jérôme Long|2021|Polyhedron|207|115366|doi:10.1016/j.poly.2021.115366
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26t8fr
title: CCDC 2050074: Experimental Crystal Structure Determination

description: Related Article: Ouafa Khalfaoui, Adel Beghidja, Chahrazed Beghidja, Yannick Guari, Joulia Larionova, Jérôme Long|2021|Polyhedron|207|115366|doi:10.1016/j.poly.2021.115366
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yqqm
title: CCDC 2054361: Experimental Crystal Structure Determination

description: Related Article: Jing-Lin Chang , Jun-Feng Wu , Jia-Wei Zhang , Kai Cui, Zhi-Qiang Liu|2024|Z.Naturforsch.,B:Chem.Sci.|79|81|doi:10.1515/znb-2023-0077
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yqrn
title: CCDC 2054362: Experimental Crystal Structure Determination

description: Related Article: Wentao Wu, Lina Li, Dong Li, Yunpeng Yao, Zhijin Xu, Xitao Liu, Maochun Hong, Junhua Luo|2022|Adv. Opt. Mater.|10|2102678|doi:10.1002/adom.202102678
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yqsp
title: CCDC 2054363: Experimental Crystal Structure Determination

description: Related Article: Wentao Wu, Lina Li, Dong Li, Yunpeng Yao, Zhijin Xu, Xitao Liu, Maochun Hong, Junhua Luo|2022|Adv. Opt. Mater.|10|2102678|doi:10.1002/adom.202102678
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yr1z
title: CCDC 2054371: Experimental Crystal Structure Determination

description: Related Article: Deqiang Wang,  Wanjian Ding,  Guohua Hou,  Guofu Zi,  Marc D. Walter|2021|Chem.-Eur.J.|27|6767|doi:10.1002/chem.202100089
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc26yryw
title: CSD 2054399: Experimental Crystal Structure Determination

description: Related Article: Guo-Ping Yang, Yufeng Liu, Xiaoling Lin, Yi-Jin Li, Bang-ming Ming, Ke Li, Changwen Hu|2022|Chin.Chem.Lett.|33|354|doi:10.1016/j.cclet.2021.05.008
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yk3v
title: CCDC 2054187: Experimental Crystal Structure Determination

description: Related Article: Shi Cao, Wei Hong, Ziqi Ye, Lei Gong|2021|Nat.Commun.|12|2377|doi:10.1038/s41467-021-22690-3
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yrzx
title: CCDC 2054400: Experimental Crystal Structure Determination

description: Related Article: Yi-Fan Xia,  Xiong-Xin Peng,  Yu-Fei Zhong,  Wei Xiao,  Chun-Yan Hu,  Hou-Qun Yuan|2021|Z.Kristallogr.-New Cryst.Struct.|236|671|doi:10.1515/ncrs-2021-0033
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26ys0z
title: CCDC 2054401: Experimental Crystal Structure Determination

description: Related Article: Yuanfeng Li, M. Sc. Yue‐Su, Hong‐Yu Zhang, Yuecheng Zhang, M. Sc. Dong‐Han, Ya‐Ping Han, Jiquan Zhao, Yong‐Min Liang|2021|Chem. Sel.|6|4719|doi:10.1002/slct.202101238
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yt88
title: CCDC 2054440: Experimental Crystal Structure Determination

description: Related Article: Man Cao, Shan Wang, Jia‐Hua Hu, Bing‐Huai Lu, Qian‐You Wang, Shuang‐Quan Zang|2022|Adv. Sci.|9|2103721|doi:10.1002/advs.202103721
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26ys21
title: CCDC 2054403: Experimental Crystal Structure Determination

description: Related Article: Yujie Yang, Na Li, Jie Zhao, Yuqin Jiang, Xinying Zhang, Xuesen Fan|2021|Adv.Synth.Catal.|363|3600|doi:10.1002/adsc.202100441
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yslk
title: CCDC 2054419: Experimental Crystal Structure Determination

description: Related Article: Yong-Kui Feng, Hua-Lan Su, Billy Joel Mukula Otukol,  Xue-Qing Zhang, Hui Yao, Nian-Yu Huang|2021|Jiegou Huaxue|40|1205|doi:10.14102/j.cnki.0254-5861.2011-3120
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yt77
title: CCDC 2054439: Experimental Crystal Structure Determination

description: Related Article: Bin Chen, You-Ren Huang, Kai-Yue Song, Xiang-Ling Lin, Hao-Hong Li, Zhi-Rong Chen|2021|Chem.Mater.|33|2178|doi:10.1021/acs.chemmater.1c00090
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yt99
title: CCDC 2054441: Experimental Crystal Structure Determination

description: Related Article: Bin Chen, You-Ren Huang, Kai-Yue Song, Xiang-Ling Lin, Hao-Hong Li, Zhi-Rong Chen|2021|Chem.Mater.|33|2178|doi:10.1021/acs.chemmater.1c00090
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.15779267
title: GeoCORK supplementary files

description: GeoCORK

GeoCORK is a desktop application for managing U-Pb geochronology data which are stored in a local relational database. Data can be imported from .xlsx files in various formats and exported for use in analysis tools and data sharing. For more information on using GeoCORK, refer to Metcalf and Burges (2025). 

GeoCORK release at the time of publication: 1.0.1

Lastest GeoCORK release on github: 

Supplementary Files

GeoCORK.exe - GeoCORK application for windows

GeoCORK.app.zip - GeoCORK application for macOS

GeoCORK_AppendixA.docx - More details on database schema and design

FigureA1.png - Full database schema

GeoCORK_UserGuide.docx - Basic user guide to get started with GeoCORK

Klamath_literature_GeoCORK.db - Small example database file with compiled zircon U-Pb data from the Klamath Mountains.

Puetz_etal_2024_GeoCORK.db - Global detrital zircon U-Pb database from Puetz et al. (2024) formatted for GeoCORK.

DB1_2019_edited_GeoCORK.xlsx - DB1 from Puetz et al. (2024) edited for GeoCORK schema.

DB2_2021_edited_GeoCORK.xlsx - DB2 from Puetz et al. (2024) edited for GeoCORK schema.

DB3_2023_edited_GeoCORK.xlsx - DB3 from Puetz et al. (2024) edited for GeoCORK schema.

Puetz_DZ_DB_edits_GeoCORK.docx - Log of all changes to Puetz et al. (2024) database with reasoning.

Import_Puetz_2024_to_GeoCORK.py - Python script used to populate the database from the edited Puetz et al., 2024 excel files. Also uses unmodified DB7, DB11, and DB12 files from Puetz et al. (2024), not provided here. Edit file paths before running the script.

Additional_units_Puetz2024_GeoCORK.py - Python dictionary of additional unit associations where existing unit tags were split rather than nested to meet GeoCORK schema requirements. The dictionary is iused in Import_Puetz_2024_to_sql.py to create and link all unit tags with samples.

References

Metcalf, K., Burges, J., 2025, GeoCORK: Part 1. An improved workflow for geochronology data management: Applied Computing and Geosciences, submitted

Puetz, S.J., Spencer, C.J., Condie, K.C., and Roberts, N.M.W., 2024, Enhanced U-Pb detrital zircon, Lu-Hf zircon, δ18O zircon, and Sm-Nd whole rock global databases: Scientific Data, v. 11, p. 56, doi:10.1038/s41597-023-02902-9.
DOI: 10.5281/zenodo.17441014
title: GeoCORK supplementary files

description: GeoCORK

GeoCORK is a desktop application for managing U-Pb geochronology data which are stored in a local relational database. Data can be imported from .xlsx files in various formats and exported for use in analysis tools and data sharing. For more information on using GeoCORK, refer to Metcalf and Burges (2025). 

GeoCORK release at the time of publication: 1.0.1

Lastest GeoCORK release on github: 

Supplementary Files

GeoCORK.exe - GeoCORK application for windows

GeoCORK.app.zip - GeoCORK application for macOS

GeoCORK_AppendixA.docx - More details on database schema and design

FigureA1.png - Full database schema

GeoCORK_UserGuide.docx - Basic user guide to get started with GeoCORK

Klamath_literature_GeoCORK.db - Small example database file with compiled zircon U-Pb data from the Klamath Mountains.

Puetz_etal_2024_GeoCORK.db - Global detrital zircon U-Pb database from Puetz et al. (2024) formatted for GeoCORK.

DB1_2019_edited_GeoCORK.xlsx - DB1 from Puetz et al. (2024) edited for GeoCORK schema.

DB2_2021_edited_GeoCORK.xlsx - DB2 from Puetz et al. (2024) edited for GeoCORK schema.

DB3_2023_edited_GeoCORK.xlsx - DB3 from Puetz et al. (2024) edited for GeoCORK schema.

Puetz_DZ_DB_edits_GeoCORK.docx - Log of all changes to Puetz et al. (2024) database with reasoning.

Import_Puetz_2024_to_GeoCORK.py - Python script used to populate the database from the edited Puetz et al., 2024 excel files. Also uses unmodified DB7, DB11, and DB12 files from Puetz et al. (2024), not provided here. Edit file paths before running the script.

Additional_units_Puetz2024_GeoCORK.py - Python dictionary of additional unit associations where existing unit tags were split rather than nested to meet GeoCORK schema requirements. The dictionary is iused in Import_Puetz_2024_to_sql.py to create and link all unit tags with samples.

References

Metcalf, K., Burges, J., 2025, GeoCORK: Part 1. An improved workflow for geochronology data management: Applied Computing and Geosciences, submitted

Puetz, S.J., Spencer, C.J., Condie, K.C., and Roberts, N.M.W., 2024, Enhanced U-Pb detrital zircon, Lu-Hf zircon, δ18O zircon, and Sm-Nd whole rock global databases: Scientific Data, v. 11, p. 56, doi:10.1038/s41597-023-02902-9.
DOI: 10.5517/ccdc.csd.cc26yvhj
title: CCDC 2054478: Experimental Crystal Structure Determination

description: Related Article: Jayeeta Bhattacharjee,  Marius Peters,  Dirk Bockfeld,  Matthias Tamm|2021|Chem.-Eur.J.|27|5913|doi:10.1002/chem.202100482
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc26yvjk
title: CCDC 2054479: Experimental Crystal Structure Determination

description: Related Article: Jayeeta Bhattacharjee,  Marius Peters,  Dirk Bockfeld,  Matthias Tamm|2021|Chem.-Eur.J.|27|5913|doi:10.1002/chem.202100482
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.