cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2g8brv
title: CCDC 2272137: Experimental Crystal Structure Determination

description: Related Article: Bronte J. Charette, Shelby R. King, Annika R. Holm, Justin Malme, Robert D. Cook, Richard D. Schaller, Nick E. Jackson, and Lisa Olshansky|2023|CSD Communication|||
description: Related Article: Bronte J. Charette, Shelby R. King, Jiaqi Chen, Annika R. Holm, Justin T. Malme, Robert D. Cook, Richard D. Schaller, Nicholas E. Jackson, Lisa Olshansky|2023|J.Phys.Chem.A|127|7747|doi:10.1021/acs.jpca.3c04269
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: 10.3535/5wa-164-lcr
title: Achelia vulgaris (Costa, 1861)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/f5z-ctx-pee
title: Achelia quadridentata (Hodgson, 1910)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g8bsw
title: CCDC 2272138: Experimental Crystal Structure Determination

description: Related Article: Bronte J. Charette, Shelby R. King, Annika R. Holm, Justin Malme, Robert D. Cook, Richard D. Schaller, Nick E. Jackson, and Lisa Olshansky|2023|CSD Communication|||
description: Related Article: Bronte J. Charette, Shelby R. King, Jiaqi Chen, Annika R. Holm, Justin T. Malme, Robert D. Cook, Richard D. Schaller, Nicholas E. Jackson, Lisa Olshansky|2023|J.Phys.Chem.A|127|7747|doi:10.1021/acs.jpca.3c04269
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: 10.3535/q2p-7w8-7qt
title: Achelia echinata Hodge, 1864

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g8btx
title: CCDC 2272139: Experimental Crystal Structure Determination

description: Related Article: Bronte J. Charette, Shelby R. King, Annika R. Holm, Justin Malme, Robert D. Cook, Richard D. Schaller, Nick E. Jackson, and Lisa Olshansky|2023|CSD Communication|||
description: Related Article: Bronte J. Charette, Shelby R. King, Jiaqi Chen, Annika R. Holm, Justin T. Malme, Robert D. Cook, Richard D. Schaller, Nicholas E. Jackson, Lisa Olshansky|2023|J.Phys.Chem.A|127|7747|doi:10.1021/acs.jpca.3c04269
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: 10.3535/bb1-srw-1lq
title: Achelia sawayai Marcus, 1940

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/edb-42x-v9k
title: Achelia sawayai Marcus, 1940

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g8bwz
title: CCDC 2272141: Experimental Crystal Structure Determination

description: Related Article: Ikumi Furusawa, Takumi Suzuki, Yan Yu, Takayoshi Arai|2023|Adv.Synth.Catal.|365|3247|doi:10.1002/adsc.202300458
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.cc2g8bx0
title: CCDC 2272142: Experimental Crystal Structure Determination

description: Related Article: Ikumi Furusawa, Takumi Suzuki, Yan Yu, Takayoshi Arai|2023|Adv.Synth.Catal.|365|3247|doi:10.1002/adsc.202300458
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: 10.3535/har-f6c-67e
title: Achelia echinata Hodge, 1864

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/m56-hzq-6ab
title: Achelia Hodge, 1864

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g8c48
title: CCDC 2272149: Experimental Crystal Structure Determination

description: Related Article: Kun Zhao, Qingsong Liu, Song Cheng, Zhigang Zhao, Xiaoxiao Li|2023|J.Org.Chem.|88|15626|doi:10.1021/acs.joc.3c01605
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: 10.3535/2s3-075-r80
title: Achelia spicata (Hodgson, 1914)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/d6h-yn2-z5s
title: Ammothea clausi Pfeffer, 1889

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g8c59
title: CCDC 2272150: Experimental Crystal Structure Determination

description: Related Article: Kun Zhao, Qingsong Liu, Song Cheng, Zhigang Zhao, Xiaoxiao Li|2023|J.Org.Chem.|88|15626|doi:10.1021/acs.joc.3c01605
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: 10.3535/am5-79r-58h
title: Achelia Hodge, 1864

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g8cmr
title: CCDC 2272164: Experimental Crystal Structure Determination

description: Related Article: Dawei Zhang|2023|CSD Communication|||
description: Related Article: Ting Liu, Xiangqing Feng, Haifeng Du|2024|Chin.J.Chem.|42|853|doi:10.1002/cjoc.202300675
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.cc2g8cty
title: CCDC 2272170: Experimental Crystal Structure Determination

description: Related Article: Li-Wen Zhan, Chuan-Jun Lu, Jia Feng, Ren-Rong Liu|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202312930
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: 10.3535/9eb-dth-znn
title: Achelia sawayai Marcus, 1940

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/rac-ea1-q98
title: Achelia sawayai Marcus, 1940

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g8cw0
title: CCDC 2272172: Experimental Crystal Structure Determination

description: Related Article: Ting Liu, Wei Meng, Xiangqing Feng, Haifeng Du|2024|Angew.Chem.,Int.Ed.|63||doi:10.1002/anie.202313957
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: 10.3535/p5n-2f6-0p6
title: Achelia echinata Hodge, 1864

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/w8d-b64-rpg
title: Achelia echinata Hodge, 1864

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g8cx1
title: CCDC 2272173: Experimental Crystal Structure Determination

description: Related Article: Wen‐Wen Zhao, Meng‐Yang Tian, Yi‐Lin Zhou, Lu‐Jie Liu, Shao‐Fang Tian, Chun‐Yang He, Xing‐Zhi Yang, Yong‐Zheng Chen, Wen‐Yong Han|2024|Angew.Chem.,Int.Ed.|63|e202318887|doi:10.1002/anie.202318887
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: 10.3535/d6f-0hw-jdb
title: Achelia parvula (Loman, 1923)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/kzl-a61-njm
title: Achelia echinata Hodge, 1864

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g8cy2
title: CCDC 2272174: Experimental Crystal Structure Determination

description: Related Article: Ting Liu, Wei Meng, Xiangqing Feng, Haifeng Du|2024|Angew.Chem.,Int.Ed.|63||doi:10.1002/anie.202313957
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: 10.3535/l02-7x3-heq
title: Achelia sawayai Marcus, 1940

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2fn6gs
title: CCDC 2253745: Experimental Crystal Structure Determination

description: Related Article: Huichao Zhang, Jinpeng Xin, Huaimin Jin, Wenhao Xiang, Muqing Chen, Yang-Rong Yao, Shangfeng Yang|2023|Inorganics|11|323|doi:10.3390/inorganics11080323
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.cc2fn6ht
title: CCDC 2253746: Experimental Crystal Structure Determination

description: Related Article: Huichao Zhang, Jinpeng Xin, Huaimin Jin, Wenhao Xiang, Muqing Chen, Yang-Rong Yao, Shangfeng Yang|2023|Inorganics|11|323|doi:10.3390/inorganics11080323
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: 10.3535/0v4-qal-w47
title: Ammothella appendiculata (Dohrn, 1881)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/wmf-1mr-68y
title: Achelia echinata Hodge, 1864

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g7yrf
title: CCDC 2271765: Experimental Crystal Structure Determination

description: Related Article: Jing Wang, Hongbin Chen, Chenxi Li, Yi Lin, Yang Yang, Zaifei Ma, Yan Lu|2023|Chem.Eng.Journal|477|147091|doi:10.1016/j.cej.2023.147091
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: 10.3535/ggl-fsz-p8g
title: Achelia vulgaris (Costa, 1861)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g7ysg
title: CCDC 2271766: Experimental Crystal Structure Determination

description: Related Article: Jing Wang, Hongbin Chen, Chenxi Li, Yi Lin, Yang Yang, Zaifei Ma, Yan Lu|2023|Chem.Eng.Journal|477|147091|doi:10.1016/j.cej.2023.147091
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.cc2g7yth
title: CCDC 2271767: Experimental Crystal Structure Determination

description: Related Article: Jing Wang, Hongbin Chen, Chenxi Li, Yi Lin, Yang Yang, Zaifei Ma, Yan Lu|2023|Chem.Eng.Journal|477|147091|doi:10.1016/j.cej.2023.147091
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.cc2g8dpv
title: CCDC 2272197: Experimental Crystal Structure Determination

description: Related Article: Quan Shi, Ming-Hui Chen, Ji Xiong, Ting Li, Ya-Qing Feng, Bao Zhang|2024|Chem.Eng.Journal|481|148301|doi:10.1016/j.cej.2023.148301
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.cc2g8dsy
title: CCDC 2272200: Experimental Crystal Structure Determination

description: Related Article: Wen-Xuan Cao, Lei Zhu, Yiyi He, Run Wang, Ming Liu, Qin Ouyang, Qing Xiao|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305146
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.cc2g8dtz
title: CCDC 2272201: Experimental Crystal Structure Determination

description: Related Article: Wen-Xuan Cao, Lei Zhu, Yiyi He, Run Wang, Ming Liu, Qin Ouyang, Qing Xiao|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202305146
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.cc2g67hf
title: CCDC 2270114: Experimental Crystal Structure Determination

description: Related Article: Raffaella Mancuso, Domenico Santandrea, Ida Ziccarelli, Angela Altomare, Diego Olivieri, Carla Carfagna and Bartolo Gabriele|2023|J.Catalysis|427|115101|doi:10.1016/j.jcat.2023.115101
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.cc2g6xvg
title: CCDC 2270776: Experimental Crystal Structure Determination

description: Related Article: Raffaella Mancuso, Domenico Santandrea, Ida Ziccarelli, Angela Altomare, Diego Olivieri, Carla Carfagna and Bartolo Gabriele|2023|J.Catalysis|427|115101|doi:10.1016/j.jcat.2023.115101
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.cc2g8f7f
title: CCDC 2272214: Experimental Crystal Structure Determination

description: Related Article: Shiyu Ji, Di Peng, Fang Sun, Qing You, Runguo Wang, Nan Yan, Yue Zhou, Weiyi Wang, Qing Tang, Nan Xia, Zhi Zeng, Zhikun Wu|2023|J.Am.Chem.Soc.|145|24012|doi:10.1021/jacs.3c07007
description: Related Article: Shiyu Ji, Di Peng, Fang Sun, Qing You, Runguo Wang, Nan Yan, Yue Zhou, Weiyi Wang, Qing Tang, Nan Xia, Zhi Zeng, Zhikun Wu|2023|J.Am.Chem.Soc.|145|24012|doi:10.1021/jacs.3c07007
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.cc2g8fbj
title: CCDC 2272217: Experimental Crystal Structure Determination

description: Related Article: Shiyu Ji, Di Peng, Fang Sun, Qing You, Runguo Wang, Nan Yan, Yue Zhou, Weiyi Wang, Qing Tang, Nan Xia, Zhi Zeng, Zhikun Wu|2023|J.Am.Chem.Soc.|145|24012|doi:10.1021/jacs.3c07007
description: Related Article: Shiyu Ji, Di Peng, Fang Sun, Qing You, Runguo Wang, Nan Yan, Yue Zhou, Weiyi Wang, Qing Tang, Nan Xia, Zhi Zeng, Zhikun Wu|2023|J.Am.Chem.Soc.|145|24012|doi:10.1021/jacs.3c07007
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.cc2g8fck
title: CCDC 2272218: Experimental Crystal Structure Determination

description: Related Article: Shiyu Ji, Di Peng, Fang Sun, Qing You, Runguo Wang, Nan Yan, Yue Zhou, Weiyi Wang, Qing Tang, Nan Xia, Zhi Zeng, Zhikun Wu|2023|J.Am.Chem.Soc.|145|24012|doi:10.1021/jacs.3c07007
description: Related Article: Shiyu Ji, Di Peng, Fang Sun, Qing You, Runguo Wang, Nan Yan, Yue Zhou, Weiyi Wang, Qing Tang, Nan Xia, Zhi Zeng, Zhikun Wu|2023|J.Am.Chem.Soc.|145|24012|doi:10.1021/jacs.3c07007
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.cc2g8fdl
title: CCDC 2272219: Experimental Crystal Structure Determination

description: Related Article: Hongfa Wang, Ruiyuan Zhang, Weiwei Zi|2024|Angew.Chem.,Int.Ed.|63|e202402843|doi:10.1002/anie.202402843
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.cc2g8ffm
title: CCDC 2272220: Experimental Crystal Structure Determination

description: Related Article: Hongfa Wang, Ruiyuan Zhang, Weiwei Zi|2024|Angew.Chem.,Int.Ed.|63|e202402843|doi:10.1002/anie.202402843
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.cc2g8fgn
title: CCDC 2272221: Experimental Crystal Structure Determination

description: Related Article: Hongfa Wang, Ruiyuan Zhang, Weiwei Zi|2024|Angew.Chem.,Int.Ed.|63|e202402843|doi:10.1002/anie.202402843
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.cc2g8fhp
title: CCDC 2272222: Experimental Crystal Structure Determination

description: Related Article: Hayato Fujimoto, Bunta Nakayasu, Mamoru Tobisu|2023|J.Am.Chem.Soc.|145|19518|doi:10.1021/jacs.3c07052
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.cc2gc6wy
title: CSD 2274900: Experimental Crystal Structure Determination

description: Related Article: Ekaterina Vinokurova, Monika Knorr, Anastasia Efimova, Alexander Ovchinnikov, Peer Schmidt, Bernd Büchner, Anna Isaeva, Maria Roslova|2023|Z.Anorg.Allg.Chem.|649|e202300141|doi:10.1002/zaac.202300141
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.