cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2hd705
title: CCDC 2305656: Experimental Crystal Structure Determination

description: Related Article: Ricardo I. Rodríguez, Vasco Corti, Lorenzo Rizzo, Stefano Visentini, Marco Bortolus, Agnese Amati, Mirco Natali, Giorgio Pelosi, Paolo Costa, Luca Dell’Amico |2024|Nat. Catal.|7|1223|doi:10.1038/s41929-024-01206-4
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.cc2hd738
title: CCDC 2305659: Experimental Crystal Structure Determination

description: Related Article: Ricardo I. Rodríguez, Vasco Corti, Lorenzo Rizzo, Stefano Visentini, Marco Bortolus, Agnese Amati, Mirco Natali, Giorgio Pelosi, Paolo Costa, Luca Dell’Amico |2024|Nat. Catal.|7|1223|doi:10.1038/s41929-024-01206-4
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.cc2jplkd
title: CCDC 2344454: Experimental Crystal Structure Determination

description: Related Article: Nazokat N. Yuldasheva, Ikram I. Abdullaev, Oybek I. Khudoyberganov, Lola A. Gandjaeva, Pirnazar K. Kodamboev, Elyor Sh. Samandarov, Adkhamjon S. Normamatov, Abror Kh. Ruzmetov, Yuldosh Y. Yakubov, C. Balakrishnan, Bakhtiyar T. Ibragimov, Aziz Bakhtiyarovich Ibragimov|2024|Turk.J.Chem.|48|809|doi:10.55730/1300-0527.3700
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.cc2jplqk
title: CCDC 2344459: Experimental Crystal Structure Determination

description: Related Article: Saber Mirzaei, Hormoz Khosravi, Xiangquan Hu, M. Saeed Mirzaei, Victor M. Espinoza Castro, Xu Wang, Nicholas A. Figueroa, Tieyan Chang, Ying-Pin Chen, Gabriella Prieto Ríos, Natalia Isabel Gonzalez-Pech, Yu-Sheng Chen, Raúl Hernández Sánchez|2025|Angew.Chem.,Int.Ed.|64|e202505083|doi:10.1002/anie.202505083
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.cc2jplrl
title: CCDC 2344460: Experimental Crystal Structure Determination

description: Related Article: Saber Mirzaei, Hormoz Khosravi, Xiangquan Hu, M. Saeed Mirzaei, Victor M. Espinoza Castro, Xu Wang, Nicholas A. Figueroa, Tieyan Chang, Ying-Pin Chen, Gabriella Prieto Ríos, Natalia Isabel Gonzalez-Pech, Yu-Sheng Chen, Raúl Hernández Sánchez|2025|Angew.Chem.,Int.Ed.|64|e202505083|doi:10.1002/anie.202505083
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.cc2jplsm
title: CCDC 2344461: Experimental Crystal Structure Determination

description: Related Article: Saber Mirzaei, Hormoz Khosravi, Xiangquan Hu, M. Saeed Mirzaei, Victor M. Espinoza Castro, Xu Wang, Nicholas A. Figueroa, Tieyan Chang, Ying-Pin Chen, Gabriella Prieto Ríos, Natalia Isabel Gonzalez-Pech, Yu-Sheng Chen, Raúl Hernández Sánchez|2025|Angew.Chem.,Int.Ed.|64|e202505083|doi:10.1002/anie.202505083
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.cc2jpltn
title: CCDC 2344462: Experimental Crystal Structure Determination

description: Related Article: Saber Mirzaei, Hormoz Khosravi, Xiangquan Hu, M. Saeed Mirzaei, Victor M. Espinoza Castro, Xu Wang, Nicholas A. Figueroa, Tieyan Chang, Ying-Pin Chen, Gabriella Prieto Ríos, Natalia Isabel Gonzalez-Pech, Yu-Sheng Chen, Raúl Hernández Sánchez|2025|Angew.Chem.,Int.Ed.|64|e202505083|doi:10.1002/anie.202505083
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.cc2jplvp
title: CCDC 2344463: Experimental Crystal Structure Determination

description: Related Article: Saber Mirzaei, Hormoz Khosravi, Xiangquan Hu, M. Saeed Mirzaei, Victor M. Espinoza Castro, Xu Wang, Nicholas A. Figueroa, Tieyan Chang, Ying-Pin Chen, Gabriella Prieto Ríos, Natalia Isabel Gonzalez-Pech, Yu-Sheng Chen, Raúl Hernández Sánchez|2025|Angew.Chem.,Int.Ed.|64|e202505083|doi:10.1002/anie.202505083
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.cc2jplwq
title: CCDC 2344464: Experimental Crystal Structure Determination

description: Related Article: Saber Mirzaei, Hormoz Khosravi, Xiangquan Hu, M. Saeed Mirzaei, Victor M. Espinoza Castro, Xu Wang, Nicholas A. Figueroa, Tieyan Chang, Ying-Pin Chen, Gabriella Prieto Ríos, Natalia Isabel Gonzalez-Pech, Yu-Sheng Chen, Raúl Hernández Sánchez|2025|Angew.Chem.,Int.Ed.|64|e202505083|doi:10.1002/anie.202505083
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.cc2jpm2y
title: CCDC 2344470: Experimental Crystal Structure Determination

description: Related Article: Patrick Q. Kelly, Nikki R. Keramati, Kate R. Kaplin, Tessa Lynch-Colameta, James P. Phelan, Mark D. Levin|2024|Angew.Chem.,Int.Ed.|64||doi:10.1002/anie.202420664
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.cc2jq1gs
title: CCDC 2344885: Experimental Crystal Structure Determination

description: Related Article: Connal D. Finlay, Ayiya B. Bitrus, Zoe O. E. Holyoake, Tilo Söhnel, L. James Wright|2024|Inorg.Chem.|63|15724|doi:10.1021/acs.inorgchem.4c01630
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.cc2jq1ht
title: CCDC 2344886: Experimental Crystal Structure Determination

description: Related Article: Connal D. Finlay, Ayiya B. Bitrus, Zoe O. E. Holyoake, Tilo Söhnel, L. James Wright|2024|Inorg.Chem.|63|15724|doi:10.1021/acs.inorgchem.4c01630
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.cc2jq1jv
title: CCDC 2344887: Experimental Crystal Structure Determination

description: Related Article: Connal D. Finlay, Ayiya B. Bitrus, Zoe O. E. Holyoake, Tilo Söhnel, L. James Wright|2024|Inorg.Chem.|63|15724|doi:10.1021/acs.inorgchem.4c01630
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.cc2jq1kw
title: CCDC 2344888: Experimental Crystal Structure Determination

description: Related Article: Connal D. Finlay, Ayiya B. Bitrus, Zoe O. E. Holyoake, Tilo Söhnel, L. James Wright|2024|Inorg.Chem.|63|15724|doi:10.1021/acs.inorgchem.4c01630
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.cc2jq1lx
title: CCDC 2344889: Experimental Crystal Structure Determination

description: Related Article: Connal D. Finlay, Ayiya B. Bitrus, Zoe O. E. Holyoake, Tilo Söhnel, L. James Wright|2024|Inorg.Chem.|63|15724|doi:10.1021/acs.inorgchem.4c01630
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.cc2jq1my
title: CCDC 2344890: Experimental Crystal Structure Determination

description: Related Article: Connal D. Finlay, Ayiya B. Bitrus, Zoe O. E. Holyoake, Tilo Söhnel, L. James Wright|2024|Inorg.Chem.|63|15724|doi:10.1021/acs.inorgchem.4c01630
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.cc2jq1nz
title: CCDC 2344891: Experimental Crystal Structure Determination

description: Related Article: Connal D. Finlay, Ayiya B. Bitrus, Zoe O. E. Holyoake, Tilo Söhnel, L. James Wright|2024|Inorg.Chem.|63|15724|doi:10.1021/acs.inorgchem.4c01630
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.cc2jpmd8
title: CCDC 2344480: Experimental Crystal Structure Determination

description: Related Article: Tong Li, Kai Li, Jiajia Yu, Qi Sun, Zhiyong Wang|2024|Org.Lett.|26|10809|doi:10.1021/acs.orglett.4c03844
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.cc2jq1p0
title: CCDC 2344892: Experimental Crystal Structure Determination

description: Related Article: Connal D. Finlay, Ayiya B. Bitrus, Zoe O. E. Holyoake, Tilo Söhnel, L. James Wright|2024|Inorg.Chem.|63|15724|doi:10.1021/acs.inorgchem.4c01630
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.cc2jpn0x
title: CCDC 2344499: Experimental Crystal Structure Determination

description: Related Article: Gurjaspreet Singh, Sudha Malik, Sofia Gupta, Harshbir Kaur, Anurag Dalal, Sumesh Khurana, Jyoti, Komal, Amarjit Kaur|2025|J.Mol.Struct.|1337|142136|doi:10.1016/j.molstruc.2025.142136
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.cc2jpn63
title: CCDC 2344505: Experimental Crystal Structure Determination

description: Related Article: Chuyu Xiao, Jing-Ran Shan, Wen-Deng Liu, Xingyuan Gao, Jingwei Dai, Zuwei Wang, Wentao Wang, K. N. Houk, Jiannan Zhao|2024|Angew.Chem.,Int.Ed.|64|e202416781|doi:10.1002/anie.202416781
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.cc2jpn85
title: CCDC 2344507: Experimental Crystal Structure Determination

description: Related Article: Yunosuke Shima, Yuxuan Feng, Atsunori Mori, Kentaro Okano|2024|J.Org.Chem.|89|8185|doi:10.1021/acs.joc.4c01004
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.cc2jpnd9
title: CCDC 2344511: Experimental Crystal Structure Determination

description: Related Article: LIU zhenxiang|2024|CSD Communication|||
description: Related Article: Zhen-Xiang Liu,  Zheng-Ye Yu,  Hui Mao,  Tai-Jin Cheng,  Hang-Cheng Ni|2024|Z.Kristallogr.-New Cryst.Struct.|239|727|doi:10.1515/ncrs-2024-0157
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.cc2jpnpl
title: CCDC 2344520: Experimental Crystal Structure Determination

description: Related Article: Tomoki Nagaoka, Yasunori Matsui, Takuya Ogaki, Hiroshi Ikeda|2024|ChemPhotoChem||e202400162|doi:10.1002/cptc.202400162
description: Related Article: Tomoki Nagaoka|2024|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2jpnqm
title: CCDC 2344521: Experimental Crystal Structure Determination

description: Related Article: Tomoki Nagaoka, Yasunori Matsui, Takuya Ogaki, Hiroshi Ikeda|2024|ChemPhotoChem||e202400162|doi:10.1002/cptc.202400162
description: Related Article: Tomoki Nagaoka|2024|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2jpntq
title: CCDC 2344524: Experimental Crystal Structure Determination

description: Related Article: Tomoki Nagaoka, Yasunori Matsui, Takuya Ogaki, Hiroshi Ikeda|2024|ChemPhotoChem||e202400162|doi:10.1002/cptc.202400162
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.cc2jpnvr
title: CCDC 2344525: Experimental Crystal Structure Determination

description: Related Article: Gauravi Yashwantrao, Sanjai M, Monalisha Debnath, Arati Gavali, Saona Seth, Purav Badani, Rohit Srivastava, Satyajit Saha|2024|Dyes Pigm.|232|112462|doi:10.1016/j.dyepig.2024.112462
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.cc2jpnzw
title: CCDC 2344529: Experimental Crystal Structure Determination

description: Related Article: Fan Yang, Huai-Yu Bin, Feng-Kai Zhao, Li Cheng, Hao Wang, Jian-Hua Xie|2025|Org.Lett.|27|4244|doi:10.1021/acs.orglett.5c00931
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.cc2jpp0y
title: CCDC 2344530: Experimental Crystal Structure Determination

description: Related Article: Fan Yang, Huai-Yu Bin, Feng-Kai Zhao, Li Cheng, Hao Wang, Jian-Hua Xie|2025|Org.Lett.|27|4244|doi:10.1021/acs.orglett.5c00931
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.cc2jpp64
title: CCDC 2344536: Experimental Crystal Structure Determination

description: Related Article: Anwesha Ghosh, Antu Mondal, Swaraj Sengupta, Zvonko Jagličić, Antonio Frontera, Shyamal Kumar Chattopadhyay|2025|Eur.J.Inorg.Chem.|28||doi:10.1002/ejic.202400537
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.cc2jpp75
title: CCDC 2344537: Experimental Crystal Structure Determination

description: Related Article: Anwesha Ghosh, Antu Mondal, Swaraj Sengupta, Zvonko Jagličić, Antonio Frontera, Shyamal Kumar Chattopadhyay|2025|Eur.J.Inorg.Chem.|28||doi:10.1002/ejic.202400537
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.cc2jpp86
title: CCDC 2344538: Experimental Crystal Structure Determination

description: Related Article: Zhong-Xuan Xu, Xiu-Ju Ying, Fei Fei|2024|Z.Anorg.Allg.Chem.|650|e202400047|doi:10.1002/zaac.202400047
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.cc2jppb8
title: CCDC 2344540: Experimental Crystal Structure Determination

description: Related Article: Luoning Li, Yanan Liu, Jing Wang, Minzhen Cai, Sen Liu, Pengtao Ma, Jingping Wang, Jingyang Niu|2024|Inorg.Chem.|63|24506|doi:10.1021/acs.inorgchem.4c03064
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.cc2jpphf
title: CCDC 2344545: Experimental Crystal Structure Determination

description: Related Article: Bo Yang, Suqiong Yan, Shirong Ban, Yuan Zhang, Hui Ma, Wei Huang|2024|Chem.Mater.|26|7940|doi:10.1021/acs.chemmater.4c01379
description: Related Article: Bo Yang|2024|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2jppjg
title: CCDC 2344546: Experimental Crystal Structure Determination

description: Related Article: Bo Yang, Suqiong Yan, Shirong Ban, Yuan Zhang, Hui Ma, Wei Huang|2024|Chem.Mater.|26|7940|doi:10.1021/acs.chemmater.4c01379
description: Related Article: Bo Yang|2024|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.