cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2hbs0n
title: CCDC 2304261: Experimental Crystal Structure Determination

description: Related Article: Runguo Wang, Dong Chen, Liang Fang, Wentao Fan, Qing You, Guoqing Bian, Yue Zhou, Wanmiao Gu, Chengming Wang, Licheng Bai, Jin Li, Haiteng Deng, Lingwen Liao, Jun Yang, Zhikun Wu|2024|Angew.Chem.,Int.Ed.|63|e202402565|doi:10.1002/anie.202402565
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.cc2hbs1p
title: CCDC 2304262: Experimental Crystal Structure Determination

description: Related Article: Li Hongdao, Zhang Shengjian, Dong Hongmei|2024|Wuji Huaxue Xuebao|40|972|doi:10.11862/CJIC.20230411
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.cc2hbs2q
title: CCDC 2304263: Experimental Crystal Structure Determination

description: Related Article: Li Hongdao, Zhang Shengjian, Dong Hongmei|2024|Wuji Huaxue Xuebao|40|972|doi:10.11862/CJIC.20230411
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.cc2hbs4s
title: CCDC 2304265: Experimental Crystal Structure Determination

description: Related Article: Mohammad Bodiuzzaman, Kathiravan Murugesan, Peng Yuan, Bholanath Maity, Arunachalam Sagadevan, Naveen Malenahalli H, Song Wang, Partha Maity, Mohammed F. Alotaibi, De-en Jiang, Mutalifu Abulikemu, Omar F. Mohammed, Luigi Cavallo, Magnus Rueping, Osman M. Bakr|2024|J.Am.Chem.Soc.|146|26994|doi:10.1021/jacs.4c08688
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.cc2hbs7w
title: CCDC 2304268: Experimental Crystal Structure Determination

description: Related Article: Han Fang, Xiao-Yi Liu, Hao-Jing Ding, Meagan Mulcair, Brian Space, Hongliang Huang, Xing-Wang Li, Shu-Ming Zhang, Mei-Hui Yu, Ze Chang, Xian-He Bu|2024|J.Am.Chem.Soc.|146|14357|doi:10.1021/jacs.4c04809
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.cc2hbsg3
title: CCDC 2304275: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Rishukumar Panday, Srinu Tothadi, Shabana Khan|2025|Chemical Science|16|14518|doi:10.1039/D5SC00879D
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.cc2hbsh4
title: CCDC 2304276: Experimental Crystal Structure Determination

description: Related Article: Yunnan Duan, Zhouqing Zheng, Zhiwei Yu, Shitao Sun, Bin Lin, Xiaozu Liu, Peijun Liu|2024|J.Org.Chem.|89|8326|doi:10.1021/acs.joc.3c02833
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.cc2hbsm8
title: CCDC 2304280: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Rishukumar Panday, Srinu Tothadi, Shabana Khan|2025|Chemical Science|16|14518|doi:10.1039/D5SC00879D
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.cc2hbsn9
title: CCDC 2304281: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Rishukumar Panday, Srinu Tothadi, Shabana Khan|2025|Chemical Science|16|14518|doi:10.1039/D5SC00879D
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.cc2hbspb
title: CSD 2304282: Experimental Crystal Structure Determination

description: Related Article: Olaf Reckeweg, Francis J. DiSalvo, Robert E. Dinnebier, Christian Funk, Thomas Schleid|2024|Z.Naturforsch.,B:Chem.Sci.|79|271|doi:10.1515/znb-2023-0101
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.cc2hbsqc
title: CCDC 2304283: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Rishukumar Panday, Srinu Tothadi, Shabana Khan|2025|Chemical Science|16|14518|doi:10.1039/D5SC00879D
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.cc2hbsrd
title: CCDC 2304284: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Rishukumar Panday, Srinu Tothadi, Shabana Khan|2025|Chemical Science|16|14518|doi:10.1039/D5SC00879D
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.cc2hbssf
title: CCDC 2304285: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Rishukumar Panday, Srinu Tothadi, Shabana Khan|2025|Chemical Science|16|14518|doi:10.1039/D5SC00879D
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.cc2hbstg
title: CCDC 2304286: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Rishukumar Panday, Srinu Tothadi, Shabana Khan|2025|Chemical Science|16|14518|doi:10.1039/D5SC00879D
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.cc2hbsvh
title: CCDC 2304287: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
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.cc2hbswj
title: CCDC 2304288: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
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.cc2hbsxk
title: CCDC 2304289: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, Shabana Khan|2024|ChemRxiv|||doi:10.26434/chemrxiv-2024-7rpw5
description: Related Article: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Rishukumar Panday, Srinu Tothadi, Shabana Khan|2025|Chemical Science|16|14518|doi:10.1039/D5SC00879D
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.cc2hbtym
title: CCDC 2304321: Experimental Crystal Structure Determination

description: Related Article: Wenhao Chen, Shenhui Li, Lezhi Yi, Ziyi Chen, Zihao Li, Yifan Wu, Wei Yan, Feng Deng, Hexiang Deng|2024|J.Am.Chem.Soc.|146|12215|doi:10.1021/jacs.4c03133
description: Related Article: Wenhao Chen, Shenhui Li, Lezhi Yi, Ziyi Chen, Zihao Li, Yifan Wu, Wei Yan, Feng Deng, Hexiang Deng|2024|J.Am.Chem.Soc.|146|12215|doi:10.1021/jacs.4c03133
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.cc2hbv4v
title: CCDC 2304327: Experimental Crystal Structure Determination

description: Related Article: Sachin Balaso Mohite, Partha Sarathi Bera, Yafia Kousin Mirza, Vusisizwe Ntuli, Yugendhar Soorni, Rajshekhar Karpoormath, Milan Bera|2025|Org.Lett.|27|2053|doi:10.1021/acs.orglett.4c04824
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.cc2hbv90
title: CCDC 2304332: Experimental Crystal Structure Determination

description: Related Article: Rong-Ran Liang, Shunqi Xu, Zongsu Han, Yihao Yang, Kun-Yu Wang, Zhehao Huang, Joshua Rushlow, Peiyu Cai, Paolo SamorA A{not}, Hong-Cai Zhou|2024|J.Am.Chem.Soc.|146|9811|doi:10.1021/jacs.3c14487
description: Related Article: Rong-Ran Liang, Shunqi Xu, Zongsu Han, Yihao Yang, Kun-Yu Wang, Zhehao Huang, Joshua Rushlow, Peiyu Cai, Paolo Samorì, Hong-Cai Zhou|2024|J.Am.Chem.Soc.|146|9811|doi:10.1021/jacs.3c14487
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.cc2hbvh6
title: CCDC 2304338: Experimental Crystal Structure Determination

description: Related Article: Jiménez-Vázquez, Hugo Alejandro, Guevara-Salazar, J. Alberto, Quintana-Zavala, Delia|2024|Chem.Biodiversity|21|e202400056|doi:10.1002/cbdv.202400056
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.cc2hc0nk
title: CCDC 2304498: Experimental Crystal Structure Determination

description: Related Article: Cheng-Long Deng, Bao-Liang Han, Ze-Yu Liu, Zhong-Hua Pan, Jiao He, Yu-Long Li, Zhi-Lin Yang, Geng-Geng Luo, Chen-Ho Tung, Di Sun, Lan-Sun Zheng|2024|CCS Chem.|6|2537|doi:10.31635/ccschem.024.202303703
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.cc2hc0pl
title: CCDC 2304499: Experimental Crystal Structure Determination

description: Related Article: Cheng-Long Deng, Bao-Liang Han, Ze-Yu Liu, Zhong-Hua Pan, Jiao He, Yu-Long Li, Zhi-Lin Yang, Geng-Geng Luo, Chen-Ho Tung, Di Sun, Lan-Sun Zheng|2024|CCS Chem.|6|2537|doi:10.31635/ccschem.024.202303703
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.cc2hc0qm
title: CCDC 2304500: Experimental Crystal Structure Determination

description: Related Article: Cheng-Long Deng, Bao-Liang Han, Ze-Yu Liu, Zhong-Hua Pan, Jiao He, Yu-Long Li, Zhi-Lin Yang, Geng-Geng Luo, Chen-Ho Tung, Di Sun, Lan-Sun Zheng|2024|CCS Chem.|6|2537|doi:10.31635/ccschem.024.202303703
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.cc2hbw2t
title: CCDC 2304356: Experimental Crystal Structure Determination

description: Related Article: Xiuqiao Zhou,  Guohui Yi,  Yiming Qian,  Xiaorong Yang,  Guangying Chen,  Yang Hui,  Wenhao Chen|2024|Molecules|29|393|doi:10.3390/molecules29020393
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.cc2hbw3v
title: CCDC 2304357: Experimental Crystal Structure Determination

description: Related Article: Xiuqiao Zhou,  Guohui Yi,  Yiming Qian,  Xiaorong Yang,  Guangying Chen,  Yang Hui,  Wenhao Chen|2024|Molecules|29|393|doi:10.3390/molecules29020393
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.cc2hc0rn
title: CCDC 2304501: Experimental Crystal Structure Determination

description: Related Article: Cheng-Long Deng, Bao-Liang Han, Ze-Yu Liu, Zhong-Hua Pan, Jiao He, Yu-Long Li, Zhi-Lin Yang, Geng-Geng Luo, Chen-Ho Tung, Di Sun, Lan-Sun Zheng|2024|CCS Chem.|6|2537|doi:10.31635/ccschem.024.202303703
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.cc2gpd1m
title: CCDC 2284670: Experimental Crystal Structure Determination

description: Related Article: Shunsuke Ohtani, Shigehisa Akine, Kenichi Kato, Shixin Fa, Tan-hao Shi, Tomoki Ogoshi|2024|J.Am.Chem.Soc.|146|4695|doi:10.1021/jacs.3c12093
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.cc2hbw4w
title: CCDC 2304358: Experimental Crystal Structure Determination

description: Related Article: Xiuqiao Zhou,  Guohui Yi,  Yiming Qian,  Xiaorong Yang,  Guangying Chen,  Yang Hui,  Wenhao Chen|2024|Molecules|29|393|doi:10.3390/molecules29020393
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.cc2hbw5x
title: CCDC 2304359: Experimental Crystal Structure Determination

description: Related Article: Huilin Wang, Xin Wang, Meimiao Li, Jingdong Feng|2024|Main Group Met.Chem.|47|20230033|doi:10.1515/mgmc-2023-0033
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2hbw6y
title: CCDC 2304360: Experimental Crystal Structure Determination

description: Related Article: Huilin Wang, Xin Wang, Meimiao Li, Jingdong Feng|2024|Main Group Met.Chem.|47|20230033|doi:10.1515/mgmc-2023-0033
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2hbwd4
title: CCDC 2304366: Experimental Crystal Structure Determination

description: Related Article: Wansong Shang, Wei Meng, Lingfang Chen, Zhichun Shangguan, Yanyan Huang, Xi-Sha Zhang, Cheng Li, Shuming Bai, Guanxin Zhang, Deqing Zhang|2024|Angew.Chem.,Int.Ed.|63|e202412704|doi:10.1002/anie.202412704
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.cc2hbwg6
title: CCDC 2304368: Experimental Crystal Structure Determination

description: Related Article: Wansong Shang, Wei Meng, Lingfang Chen, Zhichun Shangguan, Yanyan Huang, Xi-Sha Zhang, Cheng Li, Shuming Bai, Guanxin Zhang, Deqing Zhang|2024|Angew.Chem.,Int.Ed.|63|e202412704|doi:10.1002/anie.202412704
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.