cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2mkdn8
title: CCDC 2429800: Experimental Crystal Structure Determination

description: Related Article: Ksenia Chaykun, Benny Febriansyah, Trang Thuy Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|2025|Mater. Chem. Front.|10|454|doi:10.1039/d5qm00623f
description: Related Article: KSENIA CHAYKUN, Benny Febriansyah, Trang Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|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.cc2mkdp9
title: CCDC 2429801: Experimental Crystal Structure Determination

description: Related Article: Ksenia Chaykun, Benny Febriansyah, Trang Thuy Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|2025|Mater. Chem. Front.|10|454|doi:10.1039/d5qm00623f
description: Related Article: KSENIA CHAYKUN, Benny Febriansyah, Trang Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|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.cc2mkdqb
title: CCDC 2429802: Experimental Crystal Structure Determination

description: Related Article: Ksenia Chaykun, Benny Febriansyah, Trang Thuy Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|2025|Mater. Chem. Front.|10|454|doi:10.1039/d5qm00623f
description: Related Article: KSENIA CHAYKUN, Benny Febriansyah, Trang Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|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.cc2mkdrc
title: CCDC 2429803: Experimental Crystal Structure Determination

description: Related Article: Ksenia Chaykun, Benny Febriansyah, Trang Thuy Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|2025|Mater. Chem. Front.|10|454|doi:10.1039/d5qm00623f
description: Related Article: KSENIA CHAYKUN, Benny Febriansyah, Trang Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|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.cc2mkdsd
title: CCDC 2429804: Experimental Crystal Structure Determination

description: Related Article: Ksenia Chaykun, Benny Febriansyah, Trang Thuy Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|2025|Mater. Chem. Front.|10|454|doi:10.1039/d5qm00623f
description: Related Article: KSENIA CHAYKUN, Benny Febriansyah, Trang Nguyen, Teddy Salim, Yulia Lekina, Ying Sim, Yongxin Li, Shuzhou Li, Jinghua Teng, Nripan Mathews, Zexiang Shen|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.cc2mp5yg
title: CCDC 2433436: Experimental Crystal Structure Determination

description: Related Article: Li-Ming Zhang, Su-Yang Xu, Xue-Ting Li, Ting-Ting Song, Ding-Wei Ji, Yanhua Lu, Boshun Wan, Qing-An Chen|2025|CSD Communication|||
description: Related Article: Li-Ming Zhang, Su-Yang Xu, Xue-Ting Li, Ting-Ting Song, Ding-Wei Ji, Yanhua Lu, Boshun Wan, Qing-An Chen|2026|Org.Chem.Front.|13|925|doi:10.1039/d5qo01443c
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.cc26g191
title: CCDC 2039282: Experimental Crystal Structure Determination

description: Related Article: Man-Kit Lee, Chun-Fai Ng, Dietmar Kuck, Wai-Shing Wong, Hak-Fun Chow|2025|Org.Chem.Front.|13|803|doi:10.1039/d5qo01298h
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.cc2mp5xf
title: CCDC 2433435: Experimental Crystal Structure Determination

description: Related Article: Li-Ming Zhang, Su-Yang Xu, Xue-Ting Li, Ting-Ting Song, Ding-Wei Ji, Yanhua Lu, Boshun Wan, Qing-An Chen|2025|CSD Communication|||
description: Related Article: Li-Ming Zhang, Su-Yang Xu, Xue-Ting Li, Ting-Ting Song, Ding-Wei Ji, Yanhua Lu, Boshun Wan, Qing-An Chen|2026|Org.Chem.Front.|13|925|doi:10.1039/d5qo01443c
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.cc26g1b2
title: CCDC 2039283: Experimental Crystal Structure Determination

description: Related Article: Man-Kit Lee, Chun-Fai Ng, Dietmar Kuck, Wai-Shing Wong, Hak-Fun Chow|2025|Org.Chem.Front.|13|803|doi:10.1039/d5qo01298h
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.cc2d88yx
title: CCDC 2212499: Experimental Crystal Structure Determination

description: Related Article: Man-Kit Lee, Chun-Fai Ng, Dietmar Kuck, Wai-Shing Wong, Hak-Fun Chow|2025|Org.Chem.Front.|13|803|doi:10.1039/d5qo01298h
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.cc2n0btv
title: CCDC 2443197: Experimental Crystal Structure Determination

description: Related Article: Yan Tang, Devendar Ponnam, Zhifeng Ma, Xiong Tao, Long Sun, Hekun Yang, Jingchao Chen, Baomin Fan|2026|Green Chemistry|28|2422|doi:10.1039/d5gc05217c
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.cc2n0bvw
title: CCDC 2443198: Experimental Crystal Structure Determination

description: Related Article: Yan Tang, Devendar Ponnam, Zhifeng Ma, Xiong Tao, Long Sun, Hekun Yang, Jingchao Chen, Baomin Fan|2026|Green Chemistry|28|2422|doi:10.1039/d5gc05217c
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.cc2n8hzf
title: CCDC 2451045: Experimental Crystal Structure Determination

description: Related Article: Firdous Farah, Akbar Sohail, Ping Jiang, Keyume Ablajan, Shahid Ali Khan|2025|Org.Chem.Front.|13|933|doi:10.1039/d5qo01324k
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.cc2nqcg7
title: CCDC 2464359: Experimental Crystal Structure Determination

description: Related Article: Bharat Singh, Suraj Kashyap, Gaurav Goswami, Ashwini Kumar, Prabodh Ranjan, Preeti Chahar, Swapnanil Sen, Ranajit Mal, Ritika Gautam Singh, Manas K. Ghorai|2025|Org.Chem.Front.|13|777|doi:10.1039/d5qo01306b
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.cc2nqpmq
title: CCDC 2464674: Experimental Crystal Structure Determination

description: Related Article: Xiao-Xiao Sun, Li-Lu Xiao, Li-Ting Xiao, Hao Xu, Zhi-Liang Shen, Mengtao Ma, Xian-Xian Mao, Xue-Qiang Chu|2025|Org.Chem.Front.|13|948|doi:10.1039/d5qo01434d
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.cc2nrqkq
title: CCDC 2465664: Experimental Crystal Structure Determination

description: Related Article: Marvin L. Richter, Eduardo Peris, Sergio Gonell|2026|Green Chemistry|28|2385|doi:10.1039/d5gc05119c
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.cc2nrqlr
title: CCDC 2465665: Experimental Crystal Structure Determination

description: Related Article: Marvin L. Richter, Eduardo Peris, Sergio Gonell|2026|Green Chemistry|28|2385|doi:10.1039/d5gc05119c
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.cc2nrqms
title: CCDC 2465666: Experimental Crystal Structure Determination

description: Related Article: Marvin L. Richter, Eduardo Peris, Sergio Gonell|2026|Green Chemistry|28|2385|doi:10.1039/d5gc05119c
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.cc2nsb4y
title: CCDC 2466240: Experimental Crystal Structure Determination

description: Related Article: Yuzhen Chen, Jialiang Qin, Guohui Zeng, Huicai Huang, Yongbo Xue|2025|Org.Chem.Front.|13|844|doi:10.1039/d5qo01486g
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.cc2nxftv
title: CCDC 2470198: Experimental Crystal Structure Determination

description: Related Article: Zongkang Wang, Lan Tu, Yawen Lan, Yan Wang, Peng He, Nana Fei, Yakun Jiang, Chengyu Wang, Yanzhong Li|2025|Org.Chem.Front.|13|941|doi:10.1039/d5qo01405k
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.cc2p14pl
title: CCDC 2473759: Experimental Crystal Structure Determination

description: Related Article: Jianquan Hong, Feng Zheng, Xiaoyu Wang, Pengyang Cao, Dejing Yin, Wenqi Li, Xiaoxu Liu, Qiang Wang, Jie Wang, Changge Zheng|2025|Org.Chem.Front.|13|1029|doi:10.1039/d5qo01223f
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.cc2p3x3v
title: CCDC 2476407: Experimental Crystal Structure Determination

description: Related Article: Zanjila Azeem,  Shalini, Neetu Malya, Ruchir Kant, Sathish Kumar Mudedla, Pintu Kumar Mandal|2025|Org.Chem.Front.|13|812|doi:10.1039/d5qo01342a
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.cc2p6yxs
title: CCDC 2479346: Experimental Crystal Structure Determination

description: Related Article: Si-Yu Wang, Xue-Hua Huang, Yu-Han Xiao, Jia-Lei Yan, Ai-Jun Ma|2025|Org.Chem.Front.|13|967|doi:10.1039/d5qo01496d
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.cc2p6yyt
title: CCDC 2479347: Experimental Crystal Structure Determination

description: Related Article: Si-Yu Wang, Xue-Hua Huang, Yu-Han Xiao, Jia-Lei Yan, Ai-Jun Ma|2025|Org.Chem.Front.|13|967|doi:10.1039/d5qo01496d
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.cc2p6yzv
title: CCDC 2479348: Experimental Crystal Structure Determination

description: Related Article: Si-Yu Wang, Xue-Hua Huang, Yu-Han Xiao, Jia-Lei Yan, Ai-Jun Ma|2025|Org.Chem.Front.|13|967|doi:10.1039/d5qo01496d
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.cc2p7wwq
title: CCDC 2480244: Experimental Crystal Structure Determination

description: Related Article: Shan Zhang, Jonas F. Wunsch, Frank Rominger, Matthias Rudolph, Yaowen Liu, A. Stephen K. Hashmi|2025|Org.Chem.Front.|13|821|doi:10.1039/d5qo01321f
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.cc2p80nn
title: CCDC 2480361: Experimental Crystal Structure Determination

description: Related Article: Pratap Kumar Mandal, Subhra Kanti Mahato, Neelam, Soumalya Panja, Parikshit Moitra, Amit Kumar Simlandy|2025|ChemRxiv|||doi:10.26434/chemrxiv-2025-lnlkm
description: Related Article: Pratap Kumar Mandal, Subhra Kanti Mahato,  Neelam, Soumalya Panja, Parikshit Moitra, Amit Kumar Simlandy|2026|Org.Chem.Front.|13|1003|doi:10.1039/d5qo01518a
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.cc2p80yy
title: CCDC 2480370: Experimental Crystal Structure Determination

description: Related Article: Pratap Kumar Mandal, Subhra Kanti Mahato, Neelam, Soumalya Panja, Parikshit Moitra, Amit Kumar Simlandy|2025|ChemRxiv|||doi:10.26434/chemrxiv-2025-lnlkm
description: Related Article: Pratap Kumar Mandal, Subhra Kanti Mahato,  Neelam, Soumalya Panja, Parikshit Moitra, Amit Kumar Simlandy|2026|Org.Chem.Front.|13|1003|doi:10.1039/d5qo01518a
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.cc2p80zz
title: CCDC 2480371: Experimental Crystal Structure Determination

description: Related Article: Pratap Kumar Mandal, Subhra Kanti Mahato, Neelam, Soumalya Panja, Parikshit Moitra, Amit Kumar Simlandy|2025|ChemRxiv|||doi:10.26434/chemrxiv-2025-lnlkm
description: Related Article: Pratap Kumar Mandal, Subhra Kanti Mahato,  Neelam, Soumalya Panja, Parikshit Moitra, Amit Kumar Simlandy|2026|Org.Chem.Front.|13|1003|doi:10.1039/d5qo01518a
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.cc2p8gyd
title: CCDC 2480804: Experimental Crystal Structure Determination

description: Related Article: Parag Das, Cole D. Stearns, Ion Ghiviriga, Łukasz Dobrzycki, Ronald K. Castellano|2025|Org.Chem.Front.|13|764|doi:10.1039/d5qo01401h
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.cc2pd3nw
title: CSD 2484298: Experimental Crystal Structure Determination

description: Related Article: Conrad Quazza, Zhu Zhang, Simon Redor, Clément Morel, Maria A. Kirsanova, Erik Elkaïm, David Hrabovsky, Artem M. Abakumov, Maxim Avdeev, Jean-François Lemineur, Frédéric Kanoufi, Jean-Marie Tarascon, Gwenaëlle Rousse|2025|Mater. Chem. Front.|10|401|doi:10.1039/d5qm00678c
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.cc2pc1y2
title: CCDC 2483284: Experimental Crystal Structure Determination

description: Related Article: Zhongrong Xu, Ting Zhao, Wenxin Jiang, Yanwei Ren, Chaorong Qi, Huanfeng Jiang|2026|Green Chemistry|28|2288|doi:10.1039/d5gc05578d
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.cc2pd3px
title: CSD 2484299: Experimental Crystal Structure Determination

description: Related Article: Conrad Quazza, Zhu Zhang, Simon Redor, Clément Morel, Maria A. Kirsanova, Erik Elkaïm, David Hrabovsky, Artem M. Abakumov, Maxim Avdeev, Jean-François Lemineur, Frédéric Kanoufi, Jean-Marie Tarascon, Gwenaëlle Rousse|2025|Mater. Chem. Front.|10|401|doi:10.1039/d5qm00678c
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.