cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2k4vk4
title: CCDC 2358156: Experimental Crystal Structure Determination

description: Related Article: Lei Li, Jun-Jie Wang, Nuo Yan, Yonghong Li, Rui Wang, Xueyan Li, Jiale Li, Yan Bai, Dong-Bin Dang|2024|Cryst.Growth Des.|24|9527|doi:10.1021/acs.cgd.4c00979
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.cc2k4vl5
title: CCDC 2358157: Experimental Crystal Structure Determination

description: Related Article: Xin-Chao Meng, Tian-Xiong Pan, Feng Yang, Hai-Xi Zhu, Yu-Wen Huang, Bo-Rong Leng, De-Cai Wang, Yi-Long Zhu|2025|J.Org.Chem.|90|1061|doi:10.1021/acs.joc.4c02462
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.cc2k4vm6
title: CCDC 2358158: Experimental Crystal Structure Determination

description: Related Article: Xin-Chao Meng, Tian-Xiong Pan, Feng Yang, Hai-Xi Zhu, Yu-Wen Huang, Bo-Rong Leng, De-Cai Wang, Yi-Long Zhu|2025|J.Org.Chem.|90|1061|doi:10.1021/acs.joc.4c02462
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.cc2k4vvf
title: CCDC 2358165: Experimental Crystal Structure Determination

description: Related Article: Ziyang Wang, Xin-Xin Zhang, Yidan Sun, Hanliang Zheng, Xin Li|2025|Chin.J.Chem.|43|1263|doi:10.1002/cjoc.202500010
description: Related Article: Ziyang Wang, Xin-Xin Zhang, Yidan Sun, Hanliang Zheng, Xin Li|2025|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.cc2k4vwg
title: CCDC 2358166: Experimental Crystal Structure Determination

description: Related Article: Bin Wan, Marta Castiñeira Reis, Tizian-Frank Ramspoth, Syuzanna R. Harutyunyan|2025|J.Am.Chem.Soc.|147|3740|doi:10.1021/jacs.4c16130
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.cc2k4wd0
title: CCDC 2358182: Experimental Crystal Structure Determination

description: Related Article: Aishwarya Chauhan, Priyanka Chauhan, Ravi Shankar|2026|Inorg.Chim.Acta|589|122890|doi:10.1016/j.ica.2025.122890
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.cc2k4wg2
title: CCDC 2358184: Experimental Crystal Structure Determination

description: Related Article: Zhaofeng Sun, Jibo Zong, Hongyuan Ren, Changsheng Lu, Deshuang Tu, Jordi Poater, Miquel Solà, Zhuangzhi Shi, Hong Yan |2024|Nat.Commun.|15|7934|doi:10.1038/s41467-024-51506-3
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.cc2k4wl6
title: CCDC 2358188: Experimental Crystal Structure Determination

description: Related Article: Guang-Min Liang, Dong-Ao Mao, Kun Zhou, Jiu-Yu Ji, Wen-Xuan Xie, Yan-Feng Bi|2025|Inorg.Chem.Commun.|171|113608|doi:10.1016/j.inoche.2024.113608
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.cc2k4wm7
title: CCDC 2358189: Experimental Crystal Structure Determination

description: Related Article: Guang-Min Liang, Dong-Ao Mao, Kun Zhou, Jiu-Yu Ji, Wen-Xuan Xie, Yan-Feng Bi|2025|Inorg.Chem.Commun.|171|113608|doi:10.1016/j.inoche.2024.113608
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.cc2k4xd1
title: CCDC 2358213: Experimental Crystal Structure Determination

description: Related Article: Yuto Kondo, Hiroyuki Kimura, Mamiko Tanaka, Yasunao Hattori, Hidekazu Kawashima, Kazuhiro Takahashi, Hiroyuki Yasui|2024|Chem.-Eur.J.|30|e202403303|doi:10.1002/chem.202403303
description: Related Article: Yuto Kondo|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.cc2k4xrd
title: CCDC 2358224: Experimental Crystal Structure Determination

description: Related Article: Yiming Zhang, Yujie Wang, Ruilin Shi, Bingxuan Huang, Shaoyin Wei, Yuji Wang, Nao Xiao|2025|Spectrochim.Acta,Part A|337|126159|doi:10.1016/j.saa.2025.126159
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.cc2k4y5v
title: CCDC 2358237: Experimental Crystal Structure Determination

description: Related Article: Yingqi Feng, Xuelin Zhang, Ziqing He, Miaoshan Zhao, Lu Chen, Yibiao Li, Xiai Luo|2024|Molecules|29|5507|doi:10.3390/molecules29235507
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.cc2k4y6w
title: CCDC 2358238: Experimental Crystal Structure Determination

description: Related Article: Yingqi Feng, Xuelin Zhang, Ziqing He, Miaoshan Zhao, Lu Chen, Yibiao Li, Xiai Luo|2024|Molecules|29|5507|doi:10.3390/molecules29235507
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.cc2k4y7x
title: CCDC 2358239: Experimental Crystal Structure Determination

description: Related Article: Yingqi Feng, Xuelin Zhang, Ziqing He, Miaoshan Zhao, Lu Chen, Yibiao Li, Xiai Luo|2024|Molecules|29|5507|doi:10.3390/molecules29235507
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.cc2k4yl8
title: CCDC 2358250: Experimental Crystal Structure Determination

description: Related Article: Tianzhu Qin, Mengyang He, Weiwei Zi|2024|Nat. Synth.|4|124|doi:10.1038/s44160-024-00659-6
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.cc2k4ywk
title: CCDC 2358259: Experimental Crystal Structure Determination

description: Related Article: XiangXin Zhang|2024|CSD Communication|||
description: Related Article: Xiang-Xin Zhang, Shan-Tong Xu, Xue-Ting Li, Ting-Ting Song, Ding-Wei Ji, Qing-An Chen|2025|J.Am.Chem.Soc.|147|11533|doi:10.1021/jacs.5c01983
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.cc2k4yxl
title: CCDC 2358260: Experimental Crystal Structure Determination

description: Related Article: Arup Bairagi, Arunava Sengupta, Sohel Ali, Aditya Paul, Somnath Yadav|2025|Asian J.Org.Chem|14|e00379|doi:10.1002/ajoc.202500379
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.cc2k4yym
title: CCDC 2358261: Experimental Crystal Structure Determination

description: Related Article: Y. Zhou,  S.-Y. Feng,  D.-H. Zhang,  D. I. Pavlov,  T. S. Sukhikh,  A. A. Ryadun,  V. V. Matveevskaya,  K. A. Kovalenko,  E. Benassi,  V. P. Fedin,  A. S. Potapov|2024|J.Struct.Chem.|65|2250|doi:10.1134/S002247662411012X
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.cc2k503w
title: CCDC 2358297: Experimental Crystal Structure Determination

description: Related Article: Tianlin Wang, Qiyun Lei, Kuicheng Tao, Shuwen Liu, Xingang Yao, Qiuhua Zhu|2024|Eur.J.Med.Chem.|275|116580|doi:10.1016/j.ejmech.2024.116580
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.cc2k504x
title: CCDC 2358298: Experimental Crystal Structure Determination

description: Related Article: Tianlin Wang, Qiyun Lei, Kuicheng Tao, Shuwen Liu, Xingang Yao, Qiuhua Zhu|2024|Eur.J.Med.Chem.|275|116580|doi:10.1016/j.ejmech.2024.116580
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.cc2jwc3x
title: CCDC 2349989: Experimental Crystal Structure Determination

description: Related Article: Subir Maji, Biplab Gope, Madhur Sharma, Arpan Das, Anex Jose, Amit Biswas, Kalishankar Bhattacharyya, Swadhin Kumar Mandal|2024|Angew.Chem.,Int.Ed.|64|e202418673|doi:10.1002/anie.202418673
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.cc2jwc4y
title: CCDC 2349990: Experimental Crystal Structure Determination

description: Related Article: Subir Maji, Biplab Gope, Madhur Sharma, Arpan Das, Anex Jose, Amit Biswas, Kalishankar Bhattacharyya, Swadhin Kumar Mandal|2024|Angew.Chem.,Int.Ed.|64|e202418673|doi:10.1002/anie.202418673
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.cc2k4zpd
title: CCDC 2358284: Experimental Crystal Structure Determination

description: Related Article: Yakov P. Nizhnik, Erin Hansen, Cayden Howard, Matthias Zeller, Sergiy V. Rosokha|2024|Molecules|29|3305|doi:10.3390/molecules29143305
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.cc2k4zqf
title: CCDC 2358285: Experimental Crystal Structure Determination

description: Related Article: Yakov P. Nizhnik, Erin Hansen, Cayden Howard, Matthias Zeller, Sergiy V. Rosokha|2024|Molecules|29|3305|doi:10.3390/molecules29143305
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.cc2k4zrg
title: CCDC 2358286: Experimental Crystal Structure Determination

description: Related Article: Yakov P. Nizhnik, Erin Hansen, Cayden Howard, Matthias Zeller, Sergiy V. Rosokha|2024|Molecules|29|3305|doi:10.3390/molecules29143305
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.cc2k4zsh
title: CCDC 2358287: Experimental Crystal Structure Determination

description: Related Article: Yakov P. Nizhnik, Erin Hansen, Cayden Howard, Matthias Zeller, Sergiy V. Rosokha|2024|Molecules|29|3305|doi:10.3390/molecules29143305
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.cc2k4tzj
title: CCDC 2358138: Experimental Crystal Structure Determination

description: Related Article: Zan Sun, Yinong Liang, Yarong Xu, Kaixin Zhang|2025|Dyes Pigm.|239|112764|doi:10.1016/j.dyepig.2025.112764
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.cc2k50rj
title: CCDC 2358317: Experimental Crystal Structure Determination

description: Related Article: Ya-Xuan Li,  Jian-Qiao Li,  Fei Zeng|2024|Z.Kristallogr.-New Cryst.Struct.|239|903|doi:10.1515/ncrs-2024-0227
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.cc2k50zr
title: CCDC 2358324: Experimental Crystal Structure Determination

description: Related Article: Zhi Jiang, Yu-Tao Hu, Shi-Yao Guo, Yi-Xian Li, Dan-Dan Zhao, Li-Yuan Wei, Yu-Wei Lin, Shu-Min Xu, Shi-Liang Huang, Qing-Jiang Li, Jia-Heng Tan, Yong Rao, Shuo-Bin Chen* and Zhi-Shu Huang*|2024|CSD Communication|||
description: Related Article: Zhi Jiang,  Yu-Tao Hu,  Shi-Yao Guo,  Yi-Xian Li,  Dan-Dan Zhao,  Li-Yuan Wei,  Yu-Wei Lin,  Shu-Min Xu,  Shi-Liang Huang,  Qingjiang Li,  Jia-Heng Tan,  Yong Rao,  Shuo-Bin Chen,  Zhi-Shu Huang|2024|J.Med.Chem.|67|12439|doi:10.1021/acs.jmedchem.4c01242
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.cc2k5553
title: CCDC 2358454: Experimental Crystal Structure Determination

description: Related Article: Zhang, Zhi-Xu, Ni, Hao-Fei, Tang, Jing-Song, Huang, Pei-Zhi, Luo, Jia-Qi, Zhang, Feng-Wen, Lin, Jia-He, Jia, Qiang-Qiang, Teri, Gele, Wang, Chang-Feng, Fu, Da-Wei, Zhang, Yi|2024|J.Am.Chem.Soc.|146|27443|doi:10.1021/jacs.4c07268
description: Related Article: Zhi-Xu Zhang, Hao-Fei Ni, Jing-Song Tang, Pei-Zhi Huang, Jia-Qi Luo, Feng-Wen Zhang, Jia-He Lin, Qiang-Qiang Jia, Gele Teri, Chang-Feng Wang, Da-Wei Fu, Yi Zhang|2024|J.Am.Chem.Soc.|146|27443|doi:10.1021/jacs.4c07268
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.cc2k5564
title: CCDC 2358455: Experimental Crystal Structure Determination

description: Related Article: Zhang, Zhi-Xu, Ni, Hao-Fei, Tang, Jing-Song, Huang, Pei-Zhi, Luo, Jia-Qi, Zhang, Feng-Wen, Lin, Jia-He, Jia, Qiang-Qiang, Teri, Gele, Wang, Chang-Feng, Fu, Da-Wei, Zhang, Yi|2024|J.Am.Chem.Soc.|146|27443|doi:10.1021/jacs.4c07268
description: Related Article: Zhi-Xu Zhang, Hao-Fei Ni, Jing-Song Tang, Pei-Zhi Huang, Jia-Qi Luo, Feng-Wen Zhang, Jia-He Lin, Qiang-Qiang Jia, Gele Teri, Chang-Feng Wang, Da-Wei Fu, Yi Zhang|2024|J.Am.Chem.Soc.|146|27443|doi:10.1021/jacs.4c07268
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.cc2k5575
title: CCDC 2358456: Experimental Crystal Structure Determination

description: Related Article: Zhang, Zhi-Xu, Ni, Hao-Fei, Tang, Jing-Song, Huang, Pei-Zhi, Luo, Jia-Qi, Zhang, Feng-Wen, Lin, Jia-He, Jia, Qiang-Qiang, Teri, Gele, Wang, Chang-Feng, Fu, Da-Wei, Zhang, Yi|2024|J.Am.Chem.Soc.|146|27443|doi:10.1021/jacs.4c07268
description: Related Article: Zhi-Xu Zhang, Hao-Fei Ni, Jing-Song Tang, Pei-Zhi Huang, Jia-Qi Luo, Feng-Wen Zhang, Jia-He Lin, Qiang-Qiang Jia, Gele Teri, Chang-Feng Wang, Da-Wei Fu, Yi Zhang|2024|J.Am.Chem.Soc.|146|27443|doi:10.1021/jacs.4c07268
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.cc2k5586
title: CCDC 2358457: Experimental Crystal Structure Determination

description: Related Article: Zhang, Zhi-Xu, Ni, Hao-Fei, Tang, Jing-Song, Huang, Pei-Zhi, Luo, Jia-Qi, Zhang, Feng-Wen, Lin, Jia-He, Jia, Qiang-Qiang, Teri, Gele, Wang, Chang-Feng, Fu, Da-Wei, Zhang, Yi|2024|J.Am.Chem.Soc.|146|27443|doi:10.1021/jacs.4c07268
description: Related Article: Zhi-Xu Zhang, Hao-Fei Ni, Jing-Song Tang, Pei-Zhi Huang, Jia-Qi Luo, Feng-Wen Zhang, Jia-He Lin, Qiang-Qiang Jia, Gele Teri, Chang-Feng Wang, Da-Wei Fu, Yi Zhang|2024|J.Am.Chem.Soc.|146|27443|doi:10.1021/jacs.4c07268
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.