cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc26c0yk
title: CCDC 2036388: Experimental Crystal Structure Determination

description: Related Article: Benjamin R. Boswell, Carl M. F. Mansson, Jordan M. Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven A. Lopez, Noah Z. Burns|2021|Nature Chemistry|13|41|doi:10.1038/s41557-020-00608-8
description: Related Article: Benjamin R. Boswell, Carl M. F. Mansson, Jordan M. Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven A. Lopez, Noah Z. Burns|2020|CSD Communication|||
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.cc26c0zl
title: CCDC 2036389: Experimental Crystal Structure Determination

description: Related Article: Benjamin R. Boswell, Carl M. F. Mansson, Jordan M. Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven A. Lopez, Noah Z. Burns|2021|Nature Chemistry|13|41|doi:10.1038/s41557-020-00608-8
description: Related Article: Benjamin R. Boswell, Carl M. F. Mansson, Jordan M. Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven A. Lopez, Noah Z. Burns|2020|CSD Communication|||
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.cc26c10n
title: CCDC 2036390: Experimental Crystal Structure Determination

description: Related Article: Benjamin R. Boswell, Carl M. F. Mansson, Jordan M. Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven A. Lopez, Noah Z. Burns|2021|Nature Chemistry|13|41|doi:10.1038/s41557-020-00608-8
description: Related Article: Benjamin R. Boswell, Carl M. F. Mansson, Jordan M. Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven A. Lopez, Noah Z. Burns|2020|CSD Communication|||
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.cc26c11p
title: CCDC 2036391: Experimental Crystal Structure Determination

description: Related Article: Benjamin R. Boswell, Carl M. F. Mansson, Jordan M. Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven A. Lopez, Noah Z. Burns|2021|Nature Chemistry|13|41|doi:10.1038/s41557-020-00608-8
description: Related Article: Benjamin R. Boswell, Carl M. F. Mansson, Jordan M. Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven A. Lopez, Noah Z. Burns|2020|CSD Communication|||
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.cc26c16v
title: CCDC 2036396: Experimental Crystal Structure Determination

description: Related Article: Chaowei Zhao, Zhou Zhang, Faming Han, Dongdong Xia, Chengyi Xiao, Jie Fang, Yuefeng Zhang, Binghui Wu, Shengyong You, Yonggang Wu, Weiwei Li|2021|Angew.Chem.,Int.Ed.|60|8526|doi:10.1002/anie.202100755
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.cc26c19y
title: CCDC 2036399: Experimental Crystal Structure Determination

description: Related Article: Bidhan Chandra De, Wenjun Zhang, Chunfang Yang, Attila Mándi, Chunshuai Huang, Liping Zhang, Wei Liu, Mark W. Ruszczycky, Yiguang Zhu, Ming Ma, Ghader Bashiri, Tibor Kurtán, Hung-wen Liu, Changsheng Zhang|2022|Nat.Commun.|13|4896|doi:10.1038/s41467-022-32641-1
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.cc26c1bz
title: CCDC 2036400: Experimental Crystal Structure Determination

description: Related Article: Bidhan Chandra De, Wenjun Zhang, Chunfang Yang, Attila Mándi, Chunshuai Huang, Liping Zhang, Wei Liu, Mark W. Ruszczycky, Yiguang Zhu, Ming Ma, Ghader Bashiri, Tibor Kurtán, Hung-wen Liu, Changsheng Zhang|2022|Nat.Commun.|13|4896|doi:10.1038/s41467-022-32641-1
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.cc26c1c0
title: CCDC 2036401: Experimental Crystal Structure Determination

description: Related Article: Bidhan Chandra De, Wenjun Zhang, Chunfang Yang, Attila Mándi, Chunshuai Huang, Liping Zhang, Wei Liu, Mark W. Ruszczycky, Yiguang Zhu, Ming Ma, Ghader Bashiri, Tibor Kurtán, Hung-wen Liu, Changsheng Zhang|2022|Nat.Commun.|13|4896|doi:10.1038/s41467-022-32641-1
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.cc26c1d1
title: CCDC 2036402: Experimental Crystal Structure Determination

description: Related Article: C. Zhang, Y. Zhang, K. Fan, Q. Zou, Y. Chen, Y. Wu, S. Bao, L. Zheng, J. Ma, C. Wang|2021|CCS Chem.|3|2812|doi:10.31635/ccschem.021.202101333
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.cc26c1j5
title: CCDC 2036406: Experimental Crystal Structure Determination

description: Related Article: Yuki Nagai,  Keita Ishiba,  Ryosuke Yamamoto,  Teppei Yamada,  Masa‐aki Morikawa,  Nobuo Kimizuka|2021|Angew.Chem.,Int.Ed.|60|6333|doi:10.1002/anie.202013650
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.cc26c7xr
title: CCDC 2036604: Experimental Crystal Structure Determination

description: Related Article: Yutong Wang,  Chunlian Hao,  Weidong Fan,  Mingyue Fu,  Xiaokang Wang,  Zhikun Wang,  Lei Zhu,  Yue Li,  Xiaoqing Lu,  Fangna Dai,  Zixi Kang,  Rongming Wang,  Wenyue Guo,  Songqing Hu,  Daofeng Sun|2021|Angew.Chem.,Int.Ed.|60|11350|doi:10.1002/anie.202100782
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.cc26c570
title: CCDC 2036521: Experimental Crystal Structure Determination

description: Related Article: Zafer Sahin,  Sevde Nur Biltekin,  Leyla Yurttas,  Barkin Berk,  Yağmur Özhan,  Hande Sipahi,  Zhan-Guo Gao,  Kenneth A. Jacobson,  Şeref Demirayak|2021|Eur.J.Med.Chem.|214|113256|doi:10.1016/j.ejmech.2021.113256
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.cc26c2c1
title: CCDC 2036432: Experimental Crystal Structure Determination

description: Related Article: Kouzou Matsumoto|2021|CSD Communication|||
description: Related Article: Kozoou Matsumoto, Hiroyuki Kurata, Daisuke Takashiro
|2021|Senshu Shizen Kagaku Kiyo|52|59|doi:10.34360/00011861
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.cc26c2d2
title: CCDC 2036433: Experimental Crystal Structure Determination

description: Related Article: Feng Yang, Yuangang Xu, Pengcheng Wang, Qiuhan Lin, Ming Lu|2021|ACS Applied Materials and Interfaces|13|21516|doi:10.1021/acsami.1c03110
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.cc26c2g4
title: CCDC 2036435: Experimental Crystal Structure Determination

description: Related Article: Xinyu Xie, Fuqiang Hu, Yuqiao Zhou, Zhihao Liu, Xin Shen, Jielin Fu, Xiaohu Zhao, Zhipeng Yu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202300034
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.cc2684j5
title: CCDC 2033616: Experimental Crystal Structure Determination

description: Related Article: Robert D. Bannister, William Levason, Gillian Reid|2020|Chemistry|2|947|doi:10.3390/chemistry2040060
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.cc26c2h5
title: CCDC 2036436: Experimental Crystal Structure Determination

description: Related Article: Xinyu Xie, Fuqiang Hu, Yuqiao Zhou, Zhihao Liu, Xin Shen, Jielin Fu, Xiaohu Zhao, Zhipeng Yu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202300034
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.cc2684c0
title: CCDC 2033611: Experimental Crystal Structure Determination

description: Related Article: Robert D. Bannister, William Levason, Gillian Reid|2020|Chemistry|2|947|doi:10.3390/chemistry2040060
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.cc26c34v
title: CCDC 2036456: Experimental Crystal Structure Determination

description: Related Article: Firas F. Awwadi, Manal I. Alwahsh, Mark M. Turnbull, Christopher P. Landee, Brendan Twamley|2021|Dalton Trans.|50|4167|doi:10.1039/d0dt04071a
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.cc26c35w
title: CCDC 2036457: Experimental Crystal Structure Determination

description: Related Article: Firas F. Awwadi, Manal I. Alwahsh, Mark M. Turnbull, Christopher P. Landee, Brendan Twamley|2021|Dalton Trans.|50|4167|doi:10.1039/d0dt04071a
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.cc26c36x
title: CCDC 2036458: Experimental Crystal Structure Determination

description: Related Article: Francesco Caruso, Manrose Singh, Stuart Belli, Molly Berinato, Miriam Rossi|2020|Int.J.Mol.Sci.|21|9266|doi:10.3390/ijms21239266
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.cc26c3c2
title: CCDC 2036463: Experimental Crystal Structure Determination

description: Related Article: Katsuyuki Aoki, Md Abdus Salam, Ning-Hai Hu, Kazutaka Murayama|2021|J.Mol.Struct.|1258|132292|doi:10.1016/j.molstruc.2021.132292
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.cc26c8b6
title: CCDC 2036617: Experimental Crystal Structure Determination

description: Related Article: Dong-Xu Cui, Yun Geng, Jun-Ning Kou, Guo-Gang Shan, Chun-Yi Sun, Kun-Hao Zhang, Xin-Long Wang, Zhong-Min Su|2022|Nat.Commun.|13|4011|doi:10.1038/s41467-022-31785-4
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.cc26c8c7
title: CCDC 2036618: Experimental Crystal Structure Determination

description: Related Article: Dong-Xu Cui, Yun Geng, Jun-Ning Kou, Guo-Gang Shan, Chun-Yi Sun, Kun-Hao Zhang, Xin-Long Wang, Zhong-Min Su|2022|Nat.Commun.|13|4011|doi:10.1038/s41467-022-31785-4
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.cc26c8d8
title: CCDC 2036619: Experimental Crystal Structure Determination

description: Related Article: Dong-Xu Cui, Yun Geng, Jun-Ning Kou, Guo-Gang Shan, Chun-Yi Sun, Kun-Hao Zhang, Xin-Long Wang, Zhong-Min Su|2022|Nat.Commun.|13|4011|doi:10.1038/s41467-022-31785-4
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.cc26c8f9
title: CCDC 2036620: Experimental Crystal Structure Determination

description: Related Article: Dong-Xu Cui, Yun Geng, Jun-Ning Kou, Guo-Gang Shan, Chun-Yi Sun, Kun-Hao Zhang, Xin-Long Wang, Zhong-Min Su|2022|Nat.Commun.|13|4011|doi:10.1038/s41467-022-31785-4
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.cc25x1dk
title: CCDC 2022948: Experimental Crystal Structure Determination

description: Related Article: Victor Ch. Kravtsov, Vasile Lozovan, Nikita Siminel, Eduard B. Coropceanu, Olga V. Kulikova, Natalia V. Costriucova, Marina S. Fonari|2020|Molecules|25|5616|doi:10.3390/molecules25235616
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.cc26c3k8
title: CCDC 2036469: Experimental Crystal Structure Determination

description: Related Article: Yawei Liu, Yanzhong Li, Yue Wen, Xianlong Su, Ming Xu, Wei Feng, Qian Liu, Fuyou Li|2021|ACS Materials Lett.|3|713|doi:10.1021/acsmaterialslett.1c00183
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.cc26c3l9
title: CCDC 2036470: Experimental Crystal Structure Determination

description: Related Article: Yawei Liu, Yanzhong Li, Yue Wen, Xianlong Su, Ming Xu, Wei Feng, Qian Liu, Fuyou Li|2021|ACS Materials Lett.|3|713|doi:10.1021/acsmaterialslett.1c00183
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.cc26c3mb
title: CCDC 2036471: Experimental Crystal Structure Determination

description: Related Article: Yawei Liu, Yanzhong Li, Yue Wen, Xianlong Su, Ming Xu, Wei Feng, Qian Liu, Fuyou Li|2021|ACS Materials Lett.|3|713|doi:10.1021/acsmaterialslett.1c00183
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.cc26c3nc
title: CCDC 2036472: Experimental Crystal Structure Determination

description: Related Article: Yawei Liu, Yanzhong Li, Yue Wen, Xianlong Su, Ming Xu, Wei Feng, Qian Liu, Fuyou Li|2021|ACS Materials Lett.|3|713|doi:10.1021/acsmaterialslett.1c00183
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.cc24psc0
title: CCDC 1987142: Experimental Crystal Structure Determination

description: Related Article: L.Yu.Ukhin, L.G.Kuz ́mina, D.V.Alexeenko, L.V.Belousova, T.N.Gribanova, A.S.Morkovnik, E.N.Shepelenko, G.S.Borodkin, O.I.Dmitrieva, V.A.Podshibyakin|2021|Izv.Akad.Nauk SSSR,Ser.Khim.|70|1368|doi:10.1007/s11172-021-3225-0
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.cc26c46y
title: CCDC 2036489: Experimental Crystal Structure Determination

description: Related Article: Yuli He, Huayue Song, Jian Chen, Shaolin Zhu |2021|Nat.Commun.|12|638|doi:10.1038/s41467-020-20888-5
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.cc24psd1
title: CCDC 1987143: Experimental Crystal Structure Determination

description: Related Article: L.Yu.Ukhin, L.G.Kuz ́mina, D.V.Alexeenko, L.V.Belousova, T.N.Gribanova, A.S.Morkovnik, E.N.Shepelenko, G.S.Borodkin, O.I.Dmitrieva, V.A.Podshibyakin|2021|Izv.Akad.Nauk SSSR,Ser.Khim.|70|1368|doi:10.1007/s11172-021-3225-0
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.