cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2hj3lr
title: CCDC 2309394: Experimental Crystal Structure Determination

description: Related Article: Hong-Ru Fu, Dan-Dan Ren, Kun Zhang, Ruo-Yu Zhang, Xiao-Yan Lu, Ya-Pan Wu, Francisco Aznarez, Qing-Rong Ding, Lu-Fang Ma, Dong-Sheng Li|2024|ACS Materials Lett.|6|2559|doi:10.1021/acsmaterialslett.4c00619
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.cc2hj3ms
title: CCDC 2309395: Experimental Crystal Structure Determination

description: Related Article: Hong-Ru Fu, Dan-Dan Ren, Kun Zhang, Ruo-Yu Zhang, Xiao-Yan Lu, Ya-Pan Wu, Francisco Aznarez, Qing-Rong Ding, Lu-Fang Ma, Dong-Sheng Li|2024|ACS Materials Lett.|6|2559|doi:10.1021/acsmaterialslett.4c00619
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.cc2hj3nt
title: CCDC 2309396: Experimental Crystal Structure Determination

description: Related Article: Hong-Ru Fu, Dan-Dan Ren, Kun Zhang, Ruo-Yu Zhang, Xiao-Yan Lu, Ya-Pan Wu, Francisco Aznarez, Qing-Rong Ding, Lu-Fang Ma, Dong-Sheng Li|2024|ACS Materials Lett.|6|2559|doi:10.1021/acsmaterialslett.4c00619
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.cc2hj3rx
title: CCDC 2309399: Experimental Crystal Structure Determination

description: Related Article: Hong-Ru Fu, Dan-Dan Ren, Kun Zhang, Ruo-Yu Zhang, Xiao-Yan Lu, Ya-Pan Wu, Francisco Aznarez, Qing-Rong Ding, Lu-Fang Ma, Dong-Sheng Li|2024|ACS Materials Lett.|6|2559|doi:10.1021/acsmaterialslett.4c00619
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.cc2hj439
title: CCDC 2309410: Experimental Crystal Structure Determination

description: Related Article: Zhen Ying,  Xiao-Ming Li,  Sui-Qun Yang,  Hong-Lei Li,  Xin Li,  Bin-Gui Wang,  Ling-Hong Meng|2024|J.Nat.Prod.|87|1347|doi:10.1021/acs.jnatprod.3c01175
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.cc2hj45c
title: CCDC 2309412: Experimental Crystal Structure Determination

description: Related Article: Laura Abad Galán, Paula Cruz ,Estefanía Fernández-Bartolomé ,Miguel Cortijo ,Patricia Delgado-Martínez ,Rodrigo González-Prieto ,José Luis Priego ,Reyes Jiménez-Aparicio |2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-sjjdp
description: Related Article: Laura Abad Galán, Paula Cruz, Estefanía Fernández-Bartolomé, Miguel Cortijo, Patricia Delgado-Martínez, Rodrigo González-Prieto, Reyes Jiménez-Aparicio, José L. Priego|2025|Polymer|316|127861|doi:10.1016/j.polymer.2024.127861
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.cc2hj46d
title: CCDC 2309413: Experimental Crystal Structure Determination

description: Related Article: Laura Abad Galán, Paula Cruz ,Estefanía Fernández-Bartolomé ,Miguel Cortijo ,Patricia Delgado-Martínez ,Rodrigo González-Prieto ,José Luis Priego ,Reyes Jiménez-Aparicio |2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-sjjdp
description: Related Article: Laura Abad Galán, Paula Cruz, Estefanía Fernández-Bartolomé, Miguel Cortijo, Patricia Delgado-Martínez, Rodrigo González-Prieto, Reyes Jiménez-Aparicio, José L. Priego|2025|Polymer|316|127861|doi:10.1016/j.polymer.2024.127861
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.cc2hj47f
title: CCDC 2309414: Experimental Crystal Structure Determination

description: Related Article: Laura Abad Galán, Paula Cruz ,Estefanía Fernández-Bartolomé ,Miguel Cortijo ,Patricia Delgado-Martínez ,Rodrigo González-Prieto ,José Luis Priego ,Reyes Jiménez-Aparicio |2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-sjjdp
description: Related Article: Laura Abad Galán, Paula Cruz, Estefanía Fernández-Bartolomé, Miguel Cortijo, Patricia Delgado-Martínez, Rodrigo González-Prieto, Reyes Jiménez-Aparicio, José L. Priego|2025|Polymer|316|127861|doi:10.1016/j.polymer.2024.127861
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.cc2hj48g
title: CCDC 2309415: Experimental Crystal Structure Determination

description: Related Article: Laura Abad Galán, Paula Cruz ,Estefanía Fernández-Bartolomé ,Miguel Cortijo ,Patricia Delgado-Martínez ,Rodrigo González-Prieto ,José Luis Priego ,Reyes Jiménez-Aparicio |2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-sjjdp
description: Related Article: Laura Abad Galán, Paula Cruz, Estefanía Fernández-Bartolomé, Miguel Cortijo, Patricia Delgado-Martínez, Rodrigo González-Prieto, Reyes Jiménez-Aparicio, José L. Priego|2025|Polymer|316|127861|doi:10.1016/j.polymer.2024.127861
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.cc22d7nd
title: CCDC 1918393: Experimental Crystal Structure Determination

description: Related Article: Sourabh Bera, Abhishek Dutta, Parthasarathi Dastidar|2024|Asian J.Chem.|19|e202400419|doi:10.1002/asia.202400419
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.cc2hj49h
title: CCDC 2309416: Experimental Crystal Structure Determination

description: Related Article: Akira Shiozuka, Di Wu, Kyohei Kawashima, Toshifumi Mori, Kohei Sekine, Yoichiro Kuninobu |2024|ACS Catalysis|14|5972|doi:10.1021/acscatal.4c00523
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.cc22d7wm
title: CCDC 1918400: Experimental Crystal Structure Determination

description: Related Article: Sourabh Bera, Abhishek Dutta, Parthasarathi Dastidar|2024|Asian J.Chem.|19|e202400419|doi:10.1002/asia.202400419
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.cc2hj4dl
title: CCDC 2309419: Experimental Crystal Structure Determination

description: Related Article: E. S. Vikulova,  T. S. Sukhikh,  A. S. Barysheva,  I. Y. Ilyin,  D. P. Pishchur,  N. B. Morozova|2024|J.Struct.Chem.|65|489|doi:10.1134/S0022476624030065
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.cc2hj4fm
title: CCDC 2309420: Experimental Crystal Structure Determination

description: Related Article: E. S. Vikulova,  T. S. Sukhikh,  A. S. Barysheva,  I. Y. Ilyin,  D. P. Pishchur,  N. B. Morozova|2024|J.Struct.Chem.|65|489|doi:10.1134/S0022476624030065
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.cc2hj5fn
title: CSD 2309451: Experimental Crystal Structure Determination

description: Related Article: Luhong Wang, Yan Li, Sheng-Yi Xie, Fuyang Liu, Hualei Sun, Chaoxin Huang, Yang Gao, Takeshi Nakagawa, Boyang Fu, Bo Dong, Zhenhui Cao, Runze Yu, Saori I. Kawaguchi, Hirokazu Kadobayashi, Meng Wang, Changqing Jin, Ho-kwang Mao, Haozhe Liu|2024|J.Am.Chem.Soc.|146|7506|doi:10.1021/jacs.3c13094
description: Related Article: Luhong Wang, Yan Li, Shengyi Xie, Fuyang Liu, Hualei Sun, Caoxin Huang, Yang Gao, Takeshi Nakagawa, Boyang Fu, Bo Dong, Zhenhui Cao, Runze Yu, Saori I. Kawaguchi, Hirokazu Kadobayashi, Meng Wang, Changqing Jin, Ho-kwang Mao, Haozhe Liu|2023|arXiv.org, condensed matter|||doi:10.48550/arXiv.2311.09186
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.cc2hj4gn
title: CCDC 2309421: Experimental Crystal Structure Determination

description: Related Article: E. S. Vikulova,  T. S. Sukhikh,  A. S. Barysheva,  I. Y. Ilyin,  D. P. Pishchur,  N. B. Morozova|2024|J.Struct.Chem.|65|489|doi:10.1134/S0022476624030065
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.cc2hj4hp
title: CCDC 2309422: Experimental Crystal Structure Determination

description: Related Article: D. A. Burmistrova, N. P. Pomortseva, K. D. Pashaeva, M. P. Polovinkina, N. R. Al’myasheva, F. M. Dolgushin, E. D. Tselukovskaya, I. V. Anan’ev, O. P. Demidov, A. I. Poddel’skii, N. T. Berberova, I. L. Eremenko, I. V. Smolyaninov|2024|Russ.J.Coord.Chem.|50|440|doi:10.1134/S1070328424600293
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.cc2hj4jq
title: CCDC 2309423: Experimental Crystal Structure Determination

description: Related Article: Jeffrey L. Viegas, Vishnu R. Chari, Sunder N. Dhuri|2024|Chem. Sel.|9|e202402704|doi:10.1002/slct.202402704
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.cc2hj4kr
title: CCDC 2309424: Experimental Crystal Structure Determination

description: Related Article: Jeffrey L. Viegas, Vishnu R. Chari, Sunder N. Dhuri|2024|Chem. Sel.|9|e202402704|doi:10.1002/slct.202402704
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.cc2hj5dm
title: CCDC 2309450: Experimental Crystal Structure Determination

description: Related Article: Huawei Lin, Xinyan Hu, Bing Han, Xianru Yang, Yiwei Deng, Jiayi Luo, Yanqing Ge, Biming Mao, Chang Wang, Chunhao Yuan|2024|J.Org.Chem.|89|3413|doi:10.1021/acs.joc.3c02837
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.cc2hj5hq
title: CCDC 2309453: Experimental Crystal Structure Determination

description: Related Article: Huawei Lin, Xinyan Hu, Bing Han, Xianru Yang, Yiwei Deng, Jiayi Luo, Yanqing Ge, Biming Mao, Chang Wang, Chunhao Yuan|2024|J.Org.Chem.|89|3413|doi:10.1021/acs.joc.3c02837
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.cc2hj5v2
title: CCDC 2309464: Experimental Crystal Structure Determination

description: Related Article: Xiaofeng Shan, Xu Zhou, Qian Wang, Linyi Shen, Hong Xu, Carl Redshaw, Xing Feng, Qilong Zhang|2024|J.Mater.Chem.C|12|19564|doi:10.1039/D4TC03676J
description: Related Article: Xiaofeng Shan, Xu Zhou, Qian Wang, Lingyi Shen, Zhiyong Wang, Hong Xu, Xianjiong Yang, Carl Redshaw, Qilong Zhang|2025|Food Chem.|495|146487|doi:10.1016/j.foodchem.2025.146487
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.cc2hj5y5
title: CCDC 2309467: Experimental Crystal Structure Determination

description: Related Article: Zhaofeng Sun, Jibo Zong, Hongyuan Ren, Changsheng Lu, Deshuang Tu, Jordi Poater, Miquel Solà, Zhuangzhi Shi, Hong Yan |2024|Nat.Commun.|15|7934|doi:10.1038/s41467-024-51506-3
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.cc2hj5z6
title: CCDC 2309468: Experimental Crystal Structure Determination

description: Related Article: Zhaofeng Sun, Jibo Zong, Hongyuan Ren, Changsheng Lu, Deshuang Tu, Jordi Poater, Miquel Solà, Zhuangzhi Shi, Hong Yan |2024|Nat.Commun.|15|7934|doi:10.1038/s41467-024-51506-3
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.cc2hj608
title: CCDC 2309469: Experimental Crystal Structure Determination

description: Related Article: Zhen-Feng Wang, Chong Li, Qi-Pin Qin, Shuhua Zhang, Xiutang Zhang|2023|ACS Appl. Nano Mater.|6|23430|doi:10.1021/acsanm.3c04806
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.cc2hj6hr
title: CCDC 2309484: Experimental Crystal Structure Determination

description: Related Article: Zhen-Feng Wang, Chong Li, Qi-Pin Qin, Shuhua Zhang, Xiutang Zhang|2023|ACS Appl. Nano Mater.|6|23430|doi:10.1021/acsanm.3c04806
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.cc29dc69
title: CCDC 2127040: Experimental Crystal Structure Determination

description: Related Article: Zhen-Feng Wang, Chong Li, Qi-Pin Qin, Shuhua Zhang, Xiutang Zhang|2023|ACS Appl. Nano Mater.|6|23430|doi:10.1021/acsanm.3c04806
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.cc2hj6js
title: CCDC 2309485: Experimental Crystal Structure Determination

description: Related Article: Zhen-Feng Wang, Chong Li, Qi-Pin Qin, Shuhua Zhang, Xiutang Zhang|2023|ACS Appl. Nano Mater.|6|23430|doi:10.1021/acsanm.3c04806
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.cc2hj67h
title: CCDC 2309476: Experimental Crystal Structure Determination

description: Related Article: Zhen-Feng Wang, Chong Li, Qi-Pin Qin, Shuhua Zhang, Xiutang Zhang|2023|ACS Appl. Nano Mater.|6|23430|doi:10.1021/acsanm.3c04806
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.cc2hj68j
title: CCDC 2309477: Experimental Crystal Structure Determination

description: Related Article: Zhen-Feng Wang, Chong Li, Qi-Pin Qin, Shuhua Zhang, Xiutang Zhang|2023|ACS Appl. Nano Mater.|6|23430|doi:10.1021/acsanm.3c04806
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.cc2hj69k
title: CCDC 2309478: Experimental Crystal Structure Determination

description: Related Article: Zhen-Feng Wang, Chong Li, Qi-Pin Qin, Shuhua Zhang, Xiutang Zhang|2023|ACS Appl. Nano Mater.|6|23430|doi:10.1021/acsanm.3c04806
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.cc2hj6kt
title: CCDC 2309486: Experimental Crystal Structure Determination

description: Related Article: Zhen-Feng Wang, Chong Li, Qi-Pin Qin, Shuhua Zhang, Xiutang Zhang|2023|ACS Appl. Nano Mater.|6|23430|doi:10.1021/acsanm.3c04806
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.cc2hj6bl
title: CCDC 2309479: Experimental Crystal Structure Determination

description: Related Article: Nazaret Moreno-Rodríguez, L. Alberto Prieto, Victoria Valdivia, Rocío Recio, Inmaculada Fernández|2024|J.Org.Chem.|89|15048|doi:10.1021/acs.joc.4c01729
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.