cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2j4s6p
title: CCDC 2328292: Experimental Crystal Structure Determination

description: Related Article: Priyasha Harsha, Mohsin Khan, Ranjit Thakuria, Dinabandhu Das|2024|Cryst.Growth Des.|24|3109|doi:10.1021/acs.cgd.4c00202
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.cc2j4sbt
title: CCDC 2328296: Experimental Crystal Structure Determination

description: Related Article: Qingdong Hu, Boyuan Wei, Mingxu Wang, Minghao Liu, Xiao-Wang Chen, Chuan-Kun Ran, Gefei Wang, Ziting Chen, Haoze Li, Jin Song, Da-Gang Yu, Chang Guo|2024|J.Am.Chem.Soc.|146|14864|doi:10.1021/jacs.4c04211
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.cc2j4szg
title: CCDC 2328316: Experimental Crystal Structure Determination

description: Related Article: Chao Sun, Ting Qi, Faiz-Ur Rahman, Tamio Hayashi, Jialin Ming |2024|Nat.Commun.|15|9307|doi:10.1038/s41467-024-53767-4
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.cc2j4t0j
title: CCDC 2328317: Experimental Crystal Structure Determination

description: Related Article: Chao Sun, Ting Qi, Faiz-Ur Rahman, Tamio Hayashi, Jialin Ming |2024|Nat.Commun.|15|9307|doi:10.1038/s41467-024-53767-4
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.cc2j4t1k
title: CCDC 2328318: Experimental Crystal Structure Determination

description: Related Article: Chao Sun, Ting Qi, Faiz-Ur Rahman, Tamio Hayashi, Jialin Ming |2024|Nat.Commun.|15|9307|doi:10.1038/s41467-024-53767-4
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.cc2j49zz
title: CCDC 2327851: Experimental Crystal Structure Determination

description: Related Article: Ling-Feng Jiang, Shao-Hua Wu, Yu-Xuan Jiang, Hong-Xiang Ma, Jia-Jun He, Yang-Bo Bi, De-Yi Kong, Yi-Fei Cheng, Xuan Cheng, Qing-Hai Deng |2024|Nat.Commun.|15|4919|doi:10.1038/s41467-024-49313-x
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.cc2j4t2l
title: CCDC 2328319: Experimental Crystal Structure Determination

description: Related Article: Chao Sun, Ting Qi, Faiz-Ur Rahman, Tamio Hayashi, Jialin Ming |2024|Nat.Commun.|15|9307|doi:10.1038/s41467-024-53767-4
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.cc2j4t3m
title: CCDC 2328320: Experimental Crystal Structure Determination

description: Related Article: Chao Sun, Ting Qi, Faiz-Ur Rahman, Tamio Hayashi, Jialin Ming |2024|Nat.Commun.|15|9307|doi:10.1038/s41467-024-53767-4
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.cc2h90kd
title: CCDC 2302573: Experimental Crystal Structure Determination

description: Related Article: Shihui He|2023|CSD Communication|||
description: Related Article: Shihui He, Kunjie Liu, Yan Xiong, An Hou, Xianlong Zhao, Jing Zhao, Quanlin Liu|2024|Inorg.Chem.|63|6564|doi:10.1021/acs.inorgchem.4c00745
description: Related Article: Shihui He, Kunjie Liu, Yan Xiong, An Hou, Xianlong Zhao, Jing Zhao, Quanlin Liu|2024|Inorg.Chem.|63|6564|doi:10.1021/acs.inorgchem.4c00745
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.cc2j4b01
title: CCDC 2327852: Experimental Crystal Structure Determination

description: Related Article: Ling-Feng Jiang, Shao-Hua Wu, Yu-Xuan Jiang, Hong-Xiang Ma, Jia-Jun He, Yang-Bo Bi, De-Yi Kong, Yi-Fei Cheng, Xuan Cheng, Qing-Hai Deng |2024|Nat.Commun.|15|4919|doi:10.1038/s41467-024-49313-x
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.cc2j4tk2
title: CCDC 2328334: Experimental Crystal Structure Determination

description: Related Article: Clément Pinètre, Loïc Ritou, Charline J. J. Gerard, Hugo Cercel, Michel Leeman, Richard M. Kellogg, Paul Tinnemans, Morgane Sanselme, Clément Brandel, Valérie Dupray, Joop H. ter Horst|2024|Org.Process Res.Dev.|28|1224|doi:10.1021/acs.oprd.4c00035
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.cc2j4tl3
title: CCDC 2328335: Experimental Crystal Structure Determination

description: Related Article: Clément Pinètre, Loïc Ritou, Charline J. J. Gerard, Hugo Cercel, Michel Leeman, Richard M. Kellogg, Paul Tinnemans, Morgane Sanselme, Clément Brandel, Valérie Dupray, Joop H. ter Horst|2024|Org.Process Res.Dev.|28|1224|doi:10.1021/acs.oprd.4c00035
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.cc2j4tm4
title: CCDC 2328336: Experimental Crystal Structure Determination

description: Related Article: Clément Pinètre, Loïc Ritou, Charline J. J. Gerard, Hugo Cercel, Michel Leeman, Richard M. Kellogg, Paul Tinnemans, Morgane Sanselme, Clément Brandel, Valérie Dupray, Joop H. ter Horst|2024|Org.Process Res.Dev.|28|1224|doi:10.1021/acs.oprd.4c00035
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.cc2j4tn5
title: CCDC 2328337: Experimental Crystal Structure Determination

description: Related Article: Clément Pinètre, Loïc Ritou, Charline J. J. Gerard, Hugo Cercel, Michel Leeman, Richard M. Kellogg, Paul Tinnemans, Morgane Sanselme, Clément Brandel, Valérie Dupray, Joop H. ter Horst|2024|Org.Process Res.Dev.|28|1224|doi:10.1021/acs.oprd.4c00035
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.cc2j4tp6
title: CCDC 2328338: Experimental Crystal Structure Determination

description: Related Article: Cheng-Jie Zhu, Xiuying Yang, Jianchun Wang |2024|Nat. Catal.|7|878|doi:10.1038/s41929-024-01189-2
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.cc2j4tr8
title: CCDC 2328340: Experimental Crystal Structure Determination

description: Related Article: Qiong-Yan Hong, Bin Huang, Meng-Xiang Wu, Lin Xu, Xiao‐Li Zhao, Xueliang Sh, Hai‐Bo Yang|2024|Chin.J.Chem.|42|1895|doi:10.1002/cjoc.202400134
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.cc2j4gfl
title: CCDC 2327989: Experimental Crystal Structure Determination

description: Related Article: Keshab Bhattarai, Dieter Schollmeyer, Timur Baizhumanov, Jan Straetener, Heike Brötz-Oesterhelt, Carly Muletz Wolz, Harald Gross|2025|J.Nat.Prod.|88|1012|doi:10.1021/acs.jnatprod.5c00408
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.cc2j4v4p
title: CCDC 2328352: Experimental Crystal Structure Determination

description: Related Article: Xin Dong, Tianqi Chen, Jing Liang, Lei Wang, Huajie Wu, Zhijin Xu, Junhua Luo, Li-Na Li|2024|Jiegou Huaxue|43|100256|doi:10.1016/j.cjsc.2024.100256
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.cc2j4v5q
title: CCDC 2328353: Experimental Crystal Structure Determination

description: Related Article: Xin Dong, Tianqi Chen, Jing Liang, Lei Wang, Huajie Wu, Zhijin Xu, Junhua Luo, Li-Na Li|2024|Jiegou Huaxue|43|100256|doi:10.1016/j.cjsc.2024.100256
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.cc2j4vsb
title: CCDC 2328372: Experimental Crystal Structure Determination

description: Related Article: Tobias Heilmann, Juan M. Lopez-Soria, Johannes Ulbrich, Johannes Kircher, Zhen Li, Brigitte Worbs, Christopher Golz, Ricardo A. Mata, Manuel Alcarazo|2024|Angew.Chem.,Int.Ed.|63|e202403826|doi:10.1002/anie.202403826
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.cc2j4vtc
title: CCDC 2328373: Experimental Crystal Structure Determination

description: Related Article: Tobias Heilmann, Juan M. Lopez-Soria, Johannes Ulbrich, Johannes Kircher, Zhen Li, Brigitte Worbs, Christopher Golz, Ricardo A. Mata, Manuel Alcarazo|2024|Angew.Chem.,Int.Ed.|63|e202403826|doi:10.1002/anie.202403826
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.cc2j4vvd
title: CCDC 2328374: Experimental Crystal Structure Determination

description: Related Article: Tobias Heilmann, Juan M. Lopez-Soria, Johannes Ulbrich, Johannes Kircher, Zhen Li, Brigitte Worbs, Christopher Golz, Ricardo A. Mata, Manuel Alcarazo|2024|Angew.Chem.,Int.Ed.|63|e202403826|doi:10.1002/anie.202403826
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.cc2j4vwf
title: CCDC 2328375: Experimental Crystal Structure Determination

description: Related Article: Tobias Heilmann, Juan M. Lopez-Soria, Johannes Ulbrich, Johannes Kircher, Zhen Li, Brigitte Worbs, Christopher Golz, Ricardo A. Mata, Manuel Alcarazo|2024|Angew.Chem.,Int.Ed.|63|e202403826|doi:10.1002/anie.202403826
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.cc2j4vxg
title: CCDC 2328376: Experimental Crystal Structure Determination

description: Related Article: Tobias Heilmann, Juan M. Lopez-Soria, Johannes Ulbrich, Johannes Kircher, Zhen Li, Brigitte Worbs, Christopher Golz, Ricardo A. Mata, Manuel Alcarazo|2024|Angew.Chem.,Int.Ed.|63|e202403826|doi:10.1002/anie.202403826
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.cc2j4wf0
title: CSD 2328392: Experimental Crystal Structure Determination

description: Related Article: Michael J. Dzara, Arthur C. Campello, Aaron T. Breidenbach, Nicholas A. Strange, James Eujin Park, Andrea Ambrosini, Eric N. Coker, David S. Ginley, Young S. Lee, Robert T. Bell, Rebecca W. Smaha|2024|Chem.Mater.|36|2810|doi:10.1021/acs.chemmater.3c03014
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.cc2j4vyh
title: CCDC 2328377: Experimental Crystal Structure Determination

description: Related Article: Tobias Heilmann, Juan M. Lopez-Soria, Johannes Ulbrich, Johannes Kircher, Zhen Li, Brigitte Worbs, Christopher Golz, Ricardo A. Mata, Manuel Alcarazo|2024|Angew.Chem.,Int.Ed.|63|e202403826|doi:10.1002/anie.202403826
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.cc2j4vzj
title: CCDC 2328378: Experimental Crystal Structure Determination

description: Related Article: Tobias Heilmann, Juan M. Lopez-Soria, Johannes Ulbrich, Johannes Kircher, Zhen Li, Brigitte Worbs, Christopher Golz, Ricardo A. Mata, Manuel Alcarazo|2024|Angew.Chem.,Int.Ed.|63|e202403826|doi:10.1002/anie.202403826
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.cc2j4wk4
title: CCDC 2328396: Experimental Crystal Structure Determination

description: Related Article: D. D. Chirkov,  I. I. Butorin,  O. S. Eltsov,  P. A. Slepukhin,  V. L. Rusinov|2024|Izv.Akad.Nauk SSSR,Ser.Khim.|73|2370|doi:10.1007/s11172-024-4360-1
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.cc2j4wl5
title: CCDC 2328397: Experimental Crystal Structure Determination

description: Related Article: Paul Byrne, Hugh Burgoon, Jessica Koester, Wei-Yuan Chen, Christopher J. Ziegler, Emilian Tuca, Gino A. DiLabio, Larry F. Rhodes|2024|Organometallics|43|1904|doi:10.1021/acs.organomet.4c00263
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.cc2j4wm6
title: CCDC 2328398: Experimental Crystal Structure Determination

description: Related Article: Paul Byrne, Hugh Burgoon, Jessica Koester, Wei-Yuan Chen, Christopher J. Ziegler, Emilian Tuca, Gino A. DiLabio, Larry F. Rhodes|2024|Organometallics|43|1904|doi:10.1021/acs.organomet.4c00263
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.cc2j4wn7
title: CCDC 2328399: Experimental Crystal Structure Determination

description: Related Article: E. M. Mukhin,  K. V. Savateev,  P. A. Slepukhin,  V. L. Rusinov|2024|Izv.Akad.Nauk SSSR,Ser.Khim.|73|1640|doi:10.1007/s11172-024-4280-0
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.cc2j4wp8
title: CCDC 2328400: Experimental Crystal Structure Determination

description: Related Article: E. M. Mukhin,  K. V. Savateev,  P. A. Slepukhin,  V. L. Rusinov|2024|Izv.Akad.Nauk SSSR,Ser.Khim.|73|1640|doi:10.1007/s11172-024-4280-0
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.cc2j4wrb
title: CCDC 2328402: Experimental Crystal Structure Determination

description: Related Article: Zongsu Han, Kun-Yu Wang, Rong-Ran Liang, Yifan Guo, Yihao Yang, Mengmeng Wang, Yue Mao, Jiatong Huo, Wei Shi, Hong-Cai Zhou|2025|J.Am.Chem.Soc.|147|3866|doi:10.1021/jacs.4c17248
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.cc2j4wsc
title: CCDC 2328403: Experimental Crystal Structure Determination

description: Related Article: Zongsu Han, Kun-Yu Wang, Rong-Ran Liang, Yifan Guo, Yihao Yang, Mengmeng Wang, Yue Mao, Jiatong Huo, Wei Shi, Hong-Cai Zhou|2025|J.Am.Chem.Soc.|147|3866|doi:10.1021/jacs.4c17248
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.cc2j4wtd
title: CCDC 2328404: Experimental Crystal Structure Determination

description: Related Article: Zongsu Han, Kun-Yu Wang, Rong-Ran Liang, Yifan Guo, Yihao Yang, Mengmeng Wang, Yue Mao, Jiatong Huo, Wei Shi, Hong-Cai Zhou|2025|J.Am.Chem.Soc.|147|3866|doi:10.1021/jacs.4c17248
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.