cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2dlzcc
title: CCDC 2222773: Experimental Crystal Structure Determination

description: Related Article: Albert Martinez-Segura, Javier Eusamio, Yaiza M. Medina, Katherine Ariz, Albert Gutiérrez, Joan Albert, Jaume Granell, Mercè Font-Bardia, Arnald Grabulosa|2023|Appl.Organomet.Chem.|37|e7115|doi:10.1002/aoc.7115
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.cc2dlzdd
title: CCDC 2222774: Experimental Crystal Structure Determination

description: Related Article: Albert Martinez-Segura, Javier Eusamio, Yaiza M. Medina, Katherine Ariz, Albert Gutiérrez, Joan Albert, Jaume Granell, Mercè Font-Bardia, Arnald Grabulosa|2023|Appl.Organomet.Chem.|37|e7115|doi:10.1002/aoc.7115
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.cc2dqbyf
title: CCDC 2226015: Experimental Crystal Structure Determination

description: Related Article: Chen Zeng, Qing-Dou Xu, Xiao-Lin Liu, Yu-Ying Yang, Sheng-Min Hu, Xin-Tao Wu, Tian-Lu Sheng|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300433
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.cc2dqbzg
title: CCDC 2226016: Experimental Crystal Structure Determination

description: Related Article: Chen Zeng, Qing-Dou Xu, Xiao-Lin Liu, Yu-Ying Yang, Sheng-Min Hu, Xin-Tao Wu, Tian-Lu Sheng|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300433
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.cc2dqc0j
title: CCDC 2226017: Experimental Crystal Structure Determination

description: Related Article: Chen Zeng, Qing-Dou Xu, Xiao-Lin Liu, Yu-Ying Yang, Sheng-Min Hu, Xin-Tao Wu, Tian-Lu Sheng|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300433
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.cc2cjdgs
title: CCDC 2190505: Experimental Crystal Structure Determination

description: Related Article: Chen Zeng, Qing-Dou Xu, Xiao-Lin Liu, Yu-Ying Yang, Sheng-Min Hu, Xin-Tao Wu, Tian-Lu Sheng|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300433
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.cc2dqc2l
title: CCDC 2226019: Experimental Crystal Structure Determination

description: Related Article: Chen Zeng, Qing-Dou Xu, Xiao-Lin Liu, Yu-Ying Yang, Sheng-Min Hu, Xin-Tao Wu, Tian-Lu Sheng|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300433
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.cc2dqc3m
title: CCDC 2226020: Experimental Crystal Structure Determination

description: Related Article: Chen Zeng, Qing-Dou Xu, Xiao-Lin Liu, Yu-Ying Yang, Sheng-Min Hu, Xin-Tao Wu, Tian-Lu Sheng|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300433
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.cc2dqbt9
title: CCDC 2226011: Experimental Crystal Structure Determination

description: Related Article: Adèle Gapin, Arthur H. G. David, Magali Allain, Dorian Masson, Olivier Alévêque, Thomas Ave, Laura Le Bras, Piétrick Hudhomme, Antoine Goujon|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300652
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.cc2dqc5p
title: CCDC 2226022: Experimental Crystal Structure Determination

description: Related Article: Chen Zeng, Qing-Dou Xu, Xiao-Lin Liu, Yu-Ying Yang, Sheng-Min Hu, Xin-Tao Wu, Tian-Lu Sheng|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202300433
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.cc2dqbvb
title: CSD 2226012: Experimental Crystal Structure Determination

description: Related Article: Adair Nicolson, Joachim Breternitz, SeA A!n R. Kavanagh, Yvonne Tomm, Kazuki Morita, Alexander G. Squires, Michael Tovar, Aron Walsh, Susan Schorr, David O. Scanlon|2023|J.Am.Chem.Soc.|145|12509|doi:10.1021/jacs.2c13336
description: Related Article: Adair Nicolson, Joachim Breternitz, Seán R. Kavanagh, Yvonne Tomm, Kazuki Morita, Alexander G. Squires, Michael Tovar, Aron Walsh, Susan Schorr, David O. Scanlon|2023|J.Am.Chem.Soc.|145|12509|doi:10.1021/jacs.2c13336
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.cc2dqck2
title: CCDC 2226034: Experimental Crystal Structure Determination

description: Related Article: Lei Wang, Zhu-Lin Xie, Brian T. Phelan, Vincent M. Lynch, Lin X. Chen, Karen L. Mulfort|2023|Inorg.Chem.|62|14368|doi:10.1021/acs.inorgchem.3c02043
description: Related Article: Lei Wang, Zhulin Xie, Xin Li, Vincent Lynch, Karen Mulfort|2023|Analyst|148|4274|doi:10.1039/D3AN01005H
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.cc2dqd0k
title: CCDC 2226048: Experimental Crystal Structure Determination

description: Related Article: Molhm Nassir, Micha Ociepa, Hai-Jun Zhang, Lauren N. Grant, Bryan J. Simmons, Martins S. Oderinde, Yu Kawamata, Anthony N. Cauley, Michael A. Schmidt, Martin D. Eastgate, Phil S. Baran|2023|J.Am.Chem.Soc.|145|15088|doi:10.1021/jacs.3c05655
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.cc2dqd1l
title: CCDC 2226049: Experimental Crystal Structure Determination

description: Related Article: Molhm Nassir, Micha Ociepa, Hai-Jun Zhang, Lauren N. Grant, Bryan J. Simmons, Martins S. Oderinde, Yu Kawamata, Anthony N. Cauley, Michael A. Schmidt, Martin D. Eastgate, Phil S. Baran|2023|J.Am.Chem.Soc.|145|15088|doi:10.1021/jacs.3c05655
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.cc2dqf2n
title: CCDC 2226081: Experimental Crystal Structure Determination

description: Related Article: Zhou Lu, Lorenzo Luciani, Shan Li, Vladimir N. Nesterov, Cristiano Zuccaccia, Alceo Macchioni, Jacob L. Fripp, Weijie Zhang, Mohammad A. Omary, Rossana Galassi|2024|Chem.-Eur.J.|30|e202401576|doi:10.1002/chem.202401576
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.cc2dqf3p
title: CCDC 2226082: Experimental Crystal Structure Determination

description: Related Article: Zhou Lu, Lorenzo Luciani, Shan Li, Vladimir N. Nesterov, Cristiano Zuccaccia, Alceo Macchioni, Jacob L. Fripp, Weijie Zhang, Mohammad A. Omary, Rossana Galassi|2024|Chem.-Eur.J.|30|e202401576|doi:10.1002/chem.202401576
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.cc2dqf5r
title: CCDC 2226084: Experimental Crystal Structure Determination

description: Related Article: Zhou Lu, Lorenzo Luciani, Shan Li, Vladimir N. Nesterov, Cristiano Zuccaccia, Alceo Macchioni, Jacob L. Fripp, Weijie Zhang, Mohammad A. Omary, Rossana Galassi|2024|Chem.-Eur.J.|30|e202401576|doi:10.1002/chem.202401576
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.cc2dqf6s
title: CCDC 2226085: Experimental Crystal Structure Determination

description: Related Article: Zhou Lu, Lorenzo Luciani, Shan Li, Vladimir N. Nesterov, Cristiano Zuccaccia, Alceo Macchioni, Jacob L. Fripp, Weijie Zhang, Mohammad A. Omary, Rossana Galassi|2024|Chem.-Eur.J.|30|e202401576|doi:10.1002/chem.202401576
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.cc2dqk3t
title: CCDC 2226206: Experimental Crystal Structure Determination

description: Related Article: Alexander Elliott, James McAllister, De-Liang Long, Yu-Fei Song, Haralampos N. Miras|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202218897
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.cc2cx4fw
title: CCDC 2201788: Experimental Crystal Structure Determination

description: Related Article: Shi-Qing Wang, Yili Wang, Xiaoping Yang, Yong Liu, Huaqiong Li, Zhi Yang, Wei-Yin Sun, Jonathan L. Sessler|2024|Angew.Chem.,Int.Ed.|63|e202317775|doi:10.1002/anie.202317775
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.cc2dqk4v
title: CCDC 2226207: Experimental Crystal Structure Determination

description: Related Article: Alexander Elliott, James McAllister, De-Liang Long, Yu-Fei Song, Haralampos N. Miras|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202218897
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.cc2cx4gx
title: CCDC 2201789: Experimental Crystal Structure Determination

description: Related Article: Shi-Qing Wang, Yili Wang, Xiaoping Yang, Yong Liu, Huaqiong Li, Zhi Yang, Wei-Yin Sun, Jonathan L. Sessler|2024|Angew.Chem.,Int.Ed.|63|e202317775|doi:10.1002/anie.202317775
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.cc2cx4hy
title: CCDC 2201790: Experimental Crystal Structure Determination

description: Related Article: Shi-Qing Wang, Yili Wang, Xiaoping Yang, Yong Liu, Huaqiong Li, Zhi Yang, Wei-Yin Sun, Jonathan L. Sessler|2024|Angew.Chem.,Int.Ed.|63|e202317775|doi:10.1002/anie.202317775
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.cc2cx4jz
title: CCDC 2201791: Experimental Crystal Structure Determination

description: Related Article: Shi-Qing Wang, Yili Wang, Xiaoping Yang, Yong Liu, Huaqiong Li, Zhi Yang, Wei-Yin Sun, Jonathan L. Sessler|2024|Angew.Chem.,Int.Ed.|63|e202317775|doi:10.1002/anie.202317775
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.cc2dqfsc
title: CCDC 2226103: Experimental Crystal Structure Determination

description: Related Article: L. Reginald Mills, David Gygi, Eric M. Simmons, Steven R. Wisniewski, Junho Kim, Paul J. Chirik|2023|J.Am.Chem.Soc.|145|17029|doi:10.1021/jacs.3c02103
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.cc2dqb7q
title: CCDC 2225993: Experimental Crystal Structure Determination

description: Related Article: Leonardo Hayato Foianesi‐Takeshige, Xiao‐Li Pei, Pei Zhao, Hitoshi Ube, Zhen Lei, Masahiro Ehara, Mitsuhiko Shionoya|2023|Adv. Opt. Mater.|11|2301650|doi:10.1002/adom.202301650
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.cc2dqb8r
title: CCDC 2225994: Experimental Crystal Structure Determination

description: Related Article: Leonardo Hayato Foianesi‐Takeshige, Xiao‐Li Pei, Pei Zhao, Hitoshi Ube, Zhen Lei, Masahiro Ehara, Mitsuhiko Shionoya|2023|Adv. Opt. Mater.|11|2301650|doi:10.1002/adom.202301650
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.cc2dqg3q
title: CCDC 2226113: Experimental Crystal Structure Determination

description: Related Article: Feiyang Li|2024|CSD Communication|||
description: Related Article: Yongjing Deng, Xin Liang, Feiyang Li, Mengzhu Wang, Zijian Zhou, Jianwei Zhao, Feng Wang, Shujuan Liu, Qiang Zhao|2023|Laser Photonics Rev.|17|2300043|doi:10.1002/lpor.202300043
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.cc2dqg4r
title: CCDC 2226114: Experimental Crystal Structure Determination

description: Related Article: Feiyang Li|2024|CSD Communication|||
description: Related Article: Yongjing Deng, Xin Liang, Feiyang Li, Mengzhu Wang, Zijian Zhou, Jianwei Zhao, Feng Wang, Shujuan Liu, Qiang Zhao|2023|Laser Photonics Rev.|17|2300043|doi:10.1002/lpor.202300043
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.cc2dqg5s
title: CCDC 2226115: Experimental Crystal Structure Determination

description: Related Article: Princi Gupta, Prakash Chandra Tiwari, Suchithra Madhavan, Manmohan Kapur|2024|ACS Catalysis|14|17460|doi:10.1021/acscatal.4c06231
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.cc2dqgp9
title: CCDC 2226131: Experimental Crystal Structure Determination

description: Related Article: Mingruo Ding, Pengcheng Ou, Xuening Li, Yinghua Yu, Mengmeng Niu, Yongjian Yang, Yewei Huang, Zhi-Xiang Wang, Xueliang Huang|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202300703
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.cc2dqgzl
title: CCDC 2226140: Experimental Crystal Structure Determination

description: Related Article: Ting Chen, Yanbo Mei, Liu Leo Liu, Yufen Zhao, Yile Wu, Douglas W. Stephan|2023|Chem.-Eur.J.|29|e202300264|doi:10.1002/chem.202300264
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.cc2dqhd1
title: CCDC 2226153: Experimental Crystal Structure Determination

description: Related Article: Princi Gupta, Suchithra Madhavan, Manmohan Kapur|2023|Angew.Chem.,Int.Ed.|62|e202305278|doi:10.1002/anie.202305278
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.cc2dqhf2
title: CCDC 2226154: Experimental Crystal Structure Determination

description: Related Article: Ting Chen, Yanbo Mei, Liu Leo Liu, Yufen Zhao, Yile Wu, Douglas W. Stephan|2023|Chem.-Eur.J.|29|e202300264|doi:10.1002/chem.202300264
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.cc2dqhj5
title: CCDC 2226157: Experimental Crystal Structure Determination

description: Related Article: Ting Chen, Yanbo Mei, Liu Leo Liu, Yufen Zhao, Yile Wu, Douglas W. Stephan|2023|Chem.-Eur.J.|29|e202300264|doi:10.1002/chem.202300264
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.