cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fcvd2
title: CCDC 2245714: Experimental Crystal Structure Determination

description: Related Article: Xia Wang, Junya Du, Tanpeng Zhou, Xiang Fang, Huaixia Yang|2023|J.Mol.Struct.|1292|136141|doi:10.1016/j.molstruc.2023.136141
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.cc2fcwvk
title: CCDC 2245759: Experimental Crystal Structure Determination

description: Related Article: Samuel Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail Doyle|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-mt7tz
description: Related Article: Samuel H. Newman-Stonebraker, T. Judah Raab, Hootan Roshandel, Abigail G. Doyle|2023|J.Am.Chem.Soc.|145|19368|doi:10.1021/jacs.3c06233
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.17444596
title: TABLE 2 in Distribution, host plant association, and morphological diagnosis of adults and larvae of Haplothrips biroi (Thysanoptera: Phlaeothripidae)

description: TABLE 2. Published records of H. biroi including information about locality, altitude and host plant. Altitude values are approximate and were inferred by the authors of this paper based on reported localities (*specified in later paper)
LocalityCountryYearAltitude a.s.l.Host plantPublicationSashegy, BudapestHungary1917260 m-Priesner 1928Valu lui Traian, ConstantaRomania196050 mClinopodium vulgareKnechtel 1960MontpellierFrance1967120 m-NHM 2025CrocicchieItaly1983450 m* Rosmarinus sp.zur Strassen 1987; * Marullo 2004; * Marullo & De Grazia 2013SyroviceCzechia1989200 mArctium lappaPelikán 1992KrushovitsaBulgaria1993160 mLamium purpureumDonchev 1993HurbanovoSlovakia2024, 2025110 mBallota nigrathis paper
description: Published as part of Balcerčík, Jozef, Kucharczyk, Halina, Mešková, Michaela, Zvaríková, Martina, Masarovič, Rudolf & Fedor, Peter, 2025, Distribution, host plant association, and morphological diagnosis of adults and larvae of Haplothrips biroi (Thysanoptera: Phlaeothripidae), pp. 38 in Zootaxa 5693 (1) on page 38, DOI: 10.11646/zootaxa.5693.1.2, http://zenodo.org/record/17323345
DOI: 10.5281/zenodo.17444597
title: TABLE 2 in Distribution, host plant association, and morphological diagnosis of adults and larvae of Haplothrips biroi (Thysanoptera: Phlaeothripidae)

description: TABLE 2. Published records of H. biroi including information about locality, altitude and host plant. Altitude values are approximate and were inferred by the authors of this paper based on reported localities (*specified in later paper)
LocalityCountryYearAltitude a.s.l.Host plantPublicationSashegy, BudapestHungary1917260 m-Priesner 1928Valu lui Traian, ConstantaRomania196050 mClinopodium vulgareKnechtel 1960MontpellierFrance1967120 m-NHM 2025CrocicchieItaly1983450 m* Rosmarinus sp.zur Strassen 1987; * Marullo 2004; * Marullo & De Grazia 2013SyroviceCzechia1989200 mArctium lappaPelikán 1992KrushovitsaBulgaria1993160 mLamium purpureumDonchev 1993HurbanovoSlovakia2024, 2025110 mBallota nigrathis paper
description: Published as part of Balcerčík, Jozef, Kucharczyk, Halina, Mešková, Michaela, Zvaríková, Martina, Masarovič, Rudolf & Fedor, Peter, 2025, Distribution, host plant association, and morphological diagnosis of adults and larvae of Haplothrips biroi (Thysanoptera: Phlaeothripidae), pp. 38 in Zootaxa 5693 (1) on page 38, DOI: 10.11646/zootaxa.5693.1.2, http://zenodo.org/record/17323345
DOI: 10.5517/ccdc.csd.cc2fcvf3
title: CCDC 2245715: Experimental Crystal Structure Determination

description: Related Article: Xia Wang, Junya Du, Tanpeng Zhou, Xiang Fang, Huaixia Yang|2023|J.Mol.Struct.|1292|136141|doi:10.1016/j.molstruc.2023.136141
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.cc2fcvg4
title: CCDC 2245716: Experimental Crystal Structure Determination

description: Related Article: Xia Wang, Junya Du, Tanpeng Zhou, Xiang Fang, Huaixia Yang|2023|J.Mol.Struct.|1292|136141|doi:10.1016/j.molstruc.2023.136141
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.cc2fcvj6
title: CSD 2245718: Experimental Crystal Structure Determination

description: Related Article: Stefan Seidel, Thomas Harmening, Jutta Kösters, Aylin Koldemir, Wilma Pröbsting, Simon Engelbert, Rainer Pöttgen|2023|Z.Naturforsch.,B:Chem.Sci.|78|293|doi:10.1515/znb-2023-0009
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.cc2fcvh5
title: CCDC 2245717: Experimental Crystal Structure Determination

description: Related Article: Xia Wang, Junya Du, Tanpeng Zhou, Xiang Fang, Huaixia Yang|2023|J.Mol.Struct.|1292|136141|doi:10.1016/j.molstruc.2023.136141
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.cc2fcvk7
title: CSD 2245719: Experimental Crystal Structure Determination

description: Related Article: Stefan Seidel, Thomas Harmening, Jutta Kösters, Aylin Koldemir, Wilma Pröbsting, Simon Engelbert, Rainer Pöttgen|2023|Z.Naturforsch.,B:Chem.Sci.|78|293|doi:10.1515/znb-2023-0009
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.cc2fcvm9
title: CCDC 2245721: Experimental Crystal Structure Determination

description: Related Article: Debayan Roy, Beeraiah Baire|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202304557
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.cc2fcvqd
title: CCDC 2245724: Experimental Crystal Structure Determination

description: Related Article: Xianglin Luo, Peichao Hou, Jiayi Shen, Yifeng Kuang, Fengchao Sun, Huanfeng Jiang, Lukas J. Gooßen, Liangbin Huang |2024|Nat.Commun.|15|5552|doi:10.1038/s41467-024-49362-2
description: Related Article: Xianglin Luo|2024|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.cc2fcvrf
title: CCDC 2245725: Experimental Crystal Structure Determination

description: Related Article: Xianglin Luo, Peichao Hou, Jiayi Shen, Yifeng Kuang, Fengchao Sun, Huanfeng Jiang, Lukas J. Gooßen, Liangbin Huang |2024|Nat.Commun.|15|5552|doi:10.1038/s41467-024-49362-2
description: Related Article: Xianglin Luo|2024|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.cc2fcw6x
title: CCDC 2245739: Experimental Crystal Structure Determination

description: Related Article: Yanjie Li, Chengyu Zhang, Kexin Kong, Xiaohui Yan|2023|Molecules|28|3093|doi:10.3390/molecules28073093
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.cc2fcw8z
title: CCDC 2245741: Experimental Crystal Structure Determination

description: Related Article: Juncai Long, Yi Liu, Ze He, Shuangshuang Tan, Fangyu Xiong, Hantao Xu, Weixiao Wang, Ge Zhang, Zhongzhuo Yang, Qinyou An|2024|ACS Nano|18|15239|doi:10.1021/acsnano.4c03968
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.cc2fcwc2
title: CCDC 2245744: Experimental Crystal Structure Determination

description: Related Article: Alejandro Bara-Estaún, Inco J. Planje, Renad Almughathawi, Saman Naghibi, Andrea Vezzoli, David C. Milan, Colin Lambert, Santiago Martin, Pilar Cea, Richard J. Nichols, Simon J. Higgins, Dmitry S. Yufit, Sara Sangtarash, Ross J. Davidson, Andrew Beeby|2023|Inorg.Chem.|62|20940|doi:10.1021/acs.inorgchem.3c01943
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.cc2fcwd3
title: CCDC 2245745: Experimental Crystal Structure Determination

description: Related Article: Alejandro Bara-Estaún, Inco J. Planje, Renad Almughathawi, Saman Naghibi, Andrea Vezzoli, David C. Milan, Colin Lambert, Santiago Martin, Pilar Cea, Richard J. Nichols, Simon J. Higgins, Dmitry S. Yufit, Sara Sangtarash, Ross J. Davidson, Andrew Beeby|2023|Inorg.Chem.|62|20940|doi:10.1021/acs.inorgchem.3c01943
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.cc2fcwf4
title: CCDC 2245746: Experimental Crystal Structure Determination

description: Related Article: Alejandro Bara-Estaún, Inco J. Planje, Renad Almughathawi, Saman Naghibi, Andrea Vezzoli, David C. Milan, Colin Lambert, Santiago Martin, Pilar Cea, Richard J. Nichols, Simon J. Higgins, Dmitry S. Yufit, Sara Sangtarash, Ross J. Davidson, Andrew Beeby|2023|Inorg.Chem.|62|20940|doi:10.1021/acs.inorgchem.3c01943
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.cc2fcwg5
title: CCDC 2245747: Experimental Crystal Structure Determination

description: Related Article: Alejandro Bara-Estaún, Inco J. Planje, Renad Almughathawi, Saman Naghibi, Andrea Vezzoli, David C. Milan, Colin Lambert, Santiago Martin, Pilar Cea, Richard J. Nichols, Simon J. Higgins, Dmitry S. Yufit, Sara Sangtarash, Ross J. Davidson, Andrew Beeby|2023|Inorg.Chem.|62|20940|doi:10.1021/acs.inorgchem.3c01943
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.cc2dklrb
title: CCDC 2221452: Experimental Crystal Structure Determination

description: Related Article: Anamika Hoque, Md Sanaul Islam, Mukti Mohammad, Samim Khan, Md. Maidul Islam, Harun Al Rasid Gazi, Ennio Zangrando, Md. Akhtarul Alam|2023|Inorg.Chim.Acta|557|121720|doi:10.1016/j.ica.2023.121720
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.cc2fcwmb
title: CCDC 2245752: Experimental Crystal Structure Determination

description: Related Article: Sebastian Mummel, Felix Lederle, Eike G. Hübner, Jan C. Namyslo, Martin Nieger, Andreas Schmidt|2023|Eur.J.Org.Chem.|26|e202300216|doi:10.1002/ejoc.202300216
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.cc2fcxg6
title: CCDC 2245778: Experimental Crystal Structure Determination

description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
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.cc2fcxh7
title: CCDC 2245779: Experimental Crystal Structure Determination

description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
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.cc2fcxj8
title: CCDC 2245780: Experimental Crystal Structure Determination

description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
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.cc2fcxk9
title: CCDC 2245781: Experimental Crystal Structure Determination

description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
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.cc2fcxlb
title: CCDC 2245782: Experimental Crystal Structure Determination

description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
description: Related Article: Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou|2023|Inorg.Chem.|62|9209|doi:10.1021/acs.inorgchem.3c01112
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.cc2fcxnd
title: CCDC 2245784: Experimental Crystal Structure Determination

description: Related Article: Yan-Le Huang, Ting-Ting Ying, Yi-Ran Zhao, Yun-Zhi Tang, Yu-Hui Tan, Qiao-Lin Li, Wei-Fei Liu, Ming-Yang Wan, Fang-Xin Wang|2023|Chem.-Eur.J.|29|e202301499|doi:10.1002/chem.202301499
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.cc2fcxpf
title: CCDC 2245785: Experimental Crystal Structure Determination

description: Related Article: Yan-Le Huang, Ting-Ting Ying, Yi-Ran Zhao, Yun-Zhi Tang, Yu-Hui Tan, Qiao-Lin Li, Wei-Fei Liu, Ming-Yang Wan, Fang-Xin Wang|2023|Chem.-Eur.J.|29|e202301499|doi:10.1002/chem.202301499
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.cc2fcy3w
title: CCDC 2245798: Experimental Crystal Structure Determination

description: Related Article: Galina Romanenko|2023|CSD Communication|||
description: Related Article: N. A. Artyukhova,  L. V. Zargarova,  G. V. Romanenko,  A. S. Bogomyakov,  V. I. Ovcharenko|2023|J.Struct.Chem.|64|963|doi:10.1134/S002247662306001X
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.cc2fcy4x
title: CCDC 2245799: Experimental Crystal Structure Determination

description: Related Article: Galina Romanenko|2023|CSD Communication|||
description: Related Article: N. A. Artyukhova,  L. V. Zargarova,  G. V. Romanenko,  A. S. Bogomyakov,  V. I. Ovcharenko|2023|J.Struct.Chem.|64|963|doi:10.1134/S002247662306001X
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.cc2fcy5y
title: CCDC 2245800: Experimental Crystal Structure Determination

description: Related Article: Galina Romanenko|2023|CSD Communication|||
description: Related Article: N. A. Artyukhova,  L. V. Zargarova,  G. V. Romanenko,  A. S. Bogomyakov,  V. I. Ovcharenko|2023|J.Struct.Chem.|64|963|doi:10.1134/S002247662306001X
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.cc2fcy6z
title: CCDC 2245801: Experimental Crystal Structure Determination

description: Related Article: Galina Romanenko|2023|CSD Communication|||
description: Related Article: N. A. Artyukhova,  L. V. Zargarova,  G. V. Romanenko,  A. S. Bogomyakov,  V. I. Ovcharenko|2023|J.Struct.Chem.|64|963|doi:10.1134/S002247662306001X
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.cc2fcy70
title: CCDC 2245802: Experimental Crystal Structure Determination

description: Related Article: Galina Romanenko|2023|CSD Communication|||
description: Related Article: N. A. Artyukhova,  L. V. Zargarova,  G. V. Romanenko,  A. S. Bogomyakov,  V. I. Ovcharenko|2023|J.Struct.Chem.|64|963|doi:10.1134/S002247662306001X
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.