cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2002sx
title: CCDC 1847128: Experimental Crystal Structure Determination

description: Related Article: Fakhre Alam, Le Zhang, Wei Wei, Jiadong Wang, Yanhui Chen , Chunhua Dong, Tao Jiang|2018|ACS Catalysis|8|10836|doi:10.1021/acscatal.8b02698
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.cc2003fl
title: CCDC 1847148: Experimental Crystal Structure Determination

description: Related Article: Matthew M. D. Roy,  Shiori Fujimori,  Michael J. Ferguson,  Robert McDonald,  Norihiro Tokitoh,  Eric Rivard|2018|Chem.-Eur.J.|24|14392|doi:10.1002/chem.201802958
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.cc2003gm
title: CCDC 1847149: Experimental Crystal Structure Determination

description: Related Article: Matthew M. D. Roy,  Shiori Fujimori,  Michael J. Ferguson,  Robert McDonald,  Norihiro Tokitoh,  Eric Rivard|2018|Chem.-Eur.J.|24|14392|doi:10.1002/chem.201802958
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.cc2003hn
title: CCDC 1847150: Experimental Crystal Structure Determination

description: Related Article: Matthew M. D. Roy,  Shiori Fujimori,  Michael J. Ferguson,  Robert McDonald,  Norihiro Tokitoh,  Eric Rivard|2018|Chem.-Eur.J.|24|14392|doi:10.1002/chem.201802958
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.cc2003jp
title: CCDC 1847151: Experimental Crystal Structure Determination

description: Related Article: Matthew M. D. Roy,  Shiori Fujimori,  Michael J. Ferguson,  Robert McDonald,  Norihiro Tokitoh,  Eric Rivard|2018|Chem.-Eur.J.|24|14392|doi:10.1002/chem.201802958
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.cc2003kq
title: CCDC 1847152: Experimental Crystal Structure Determination

description: Related Article: Matthew M. D. Roy,  Shiori Fujimori,  Michael J. Ferguson,  Robert McDonald,  Norihiro Tokitoh,  Eric Rivard|2018|Chem.-Eur.J.|24|14392|doi:10.1002/chem.201802958
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.cc2003lr
title: CCDC 1847153: Experimental Crystal Structure Determination

description: Related Article: Matthew M. D. Roy,  Shiori Fujimori,  Michael J. Ferguson,  Robert McDonald,  Norihiro Tokitoh,  Eric Rivard|2018|Chem.-Eur.J.|24|14392|doi:10.1002/chem.201802958
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.cc1zsbdh
title: CCDC 1840637: Experimental Crystal Structure Determination

description: Related Article: Kevin M. Szkop, Diya Zhu, Lauren E. Longobardi, Julian Heck, Douglas W. Stephan|2018|Dalton Trans.|47|8933|doi:10.1039/C8DT01717D
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.cc1zsbfj
title: CCDC 1840638: Experimental Crystal Structure Determination

description: Related Article: Kevin M. Szkop, Diya Zhu, Lauren E. Longobardi, Julian Heck, Douglas W. Stephan|2018|Dalton Trans.|47|8933|doi:10.1039/C8DT01717D
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.cc1zsbgk
title: CCDC 1840639: Experimental Crystal Structure Determination

description: Related Article: Kevin M. Szkop, Diya Zhu, Lauren E. Longobardi, Julian Heck, Douglas W. Stephan|2018|Dalton Trans.|47|8933|doi:10.1039/C8DT01717D
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.cc1zsbhl
title: CCDC 1840640: Experimental Crystal Structure Determination

description: Related Article: Kevin M. Szkop, Diya Zhu, Lauren E. Longobardi, Julian Heck, Douglas W. Stephan|2018|Dalton Trans.|47|8933|doi:10.1039/C8DT01717D
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.cc2004bj
title: CCDC 1847176: Experimental Crystal Structure Determination

description: Related Article: Hui Xing,  Sevan D. Houston,  Xuejie Chen,  Sussan Ghassabian,  Tyler Fahrenhorst-Jones,  Andy Kuo,  Cody-Ellen P. Murray,  Kyna-Anne Conn,  Kara N. Jaeschke,  Da-Yun Jin,  Cielo Pasay,  Paul V. Bernhardt,  Jed M. Burns,  John Tsanaktsidis,  G. Paul Savage,  Glen M. Boyle,  James J. De Voss,  James McCarthy,  Gimme H. Walter,  Thomas H. J. Burne,  Maree T. Smith,  Jian-Ke Tie,  Craig M. Williams|2019|Chem.-Eur.J.|25|2729|doi:10.1002/chem.201806277
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.cc2004ck
title: CCDC 1847177: Experimental Crystal Structure Determination

description: Related Article: Hui Xing,  Sevan D. Houston,  Xuejie Chen,  Sussan Ghassabian,  Tyler Fahrenhorst-Jones,  Andy Kuo,  Cody-Ellen P. Murray,  Kyna-Anne Conn,  Kara N. Jaeschke,  Da-Yun Jin,  Cielo Pasay,  Paul V. Bernhardt,  Jed M. Burns,  John Tsanaktsidis,  G. Paul Savage,  Glen M. Boyle,  James J. De Voss,  James McCarthy,  Gimme H. Walter,  Thomas H. J. Burne,  Maree T. Smith,  Jian-Ke Tie,  Craig M. Williams|2019|Chem.-Eur.J.|25|2729|doi:10.1002/chem.201806277
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.cc2004dl
title: CCDC 1847178: Experimental Crystal Structure Determination

description: Related Article: Hui Xing,  Sevan D. Houston,  Xuejie Chen,  Sussan Ghassabian,  Tyler Fahrenhorst-Jones,  Andy Kuo,  Cody-Ellen P. Murray,  Kyna-Anne Conn,  Kara N. Jaeschke,  Da-Yun Jin,  Cielo Pasay,  Paul V. Bernhardt,  Jed M. Burns,  John Tsanaktsidis,  G. Paul Savage,  Glen M. Boyle,  James J. De Voss,  James McCarthy,  Gimme H. Walter,  Thomas H. J. Burne,  Maree T. Smith,  Jian-Ke Tie,  Craig M. Williams|2019|Chem.-Eur.J.|25|2729|doi:10.1002/chem.201806277
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.cc2004fm
title: CCDC 1847179: Experimental Crystal Structure Determination

description: Related Article: Satoshi Takamizawa, Yuichi Takasaki, Toshiyuki Sasaki, Noriaki Ozaki|2018|Nat.Commun.|9|3984|doi:10.1038/s41467-018-06431-7
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.cc2004gn
title: CCDC 1847180: Experimental Crystal Structure Determination

description: Related Article: Satoshi Takamizawa, Yuichi Takasaki, Toshiyuki Sasaki, Noriaki Ozaki|2018|Nat.Commun.|9|3984|doi:10.1038/s41467-018-06431-7
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.cc2004hp
title: CCDC 1847181: Experimental Crystal Structure Determination

description: Related Article: Satoshi Takamizawa, Yuichi Takasaki, Toshiyuki Sasaki, Noriaki Ozaki|2018|Nat.Commun.|9|3984|doi:10.1038/s41467-018-06431-7
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.cc2004jq
title: CCDC 1847182: Experimental Crystal Structure Determination

description: Related Article: Satoshi Takamizawa, Yuichi Takasaki, Toshiyuki Sasaki, Noriaki Ozaki|2018|Nat.Commun.|9|3984|doi:10.1038/s41467-018-06431-7
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: 10.24432/c55w3j
title: Paddy Dataset
DOI: 10.5517/ccdc.csd.cc2004v1
title: CCDC 1847192: Experimental Crystal Structure Determination

description: Related Article: Jih Ru Hwu, Avijit Panja, Nitesh K. Gupta, Wen‐Chieh Huang, Yu‐Chen Hu, Chun‐Cheng Lin, Kuo‐Chu Hwang, Wei‐Jen Chan, Shwu‐Chen Tsay|2021|Asian J.Org.Chem|10|803|doi:10.1002/ajoc.202000711
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.cc2004y4
title: CCDC 1847195: Experimental Crystal Structure Determination

description: Related Article: Yeye Ai,  Maggie Ng,  Eugene Yau‐Hin Hong,  Alan Kwun‐Wa Chan,  Zhang‐Wen Wei,  Yongguang Li,  Vivian Wing‐Wah Yam|2018|Chem.-Eur.J.|24|11611|doi:10.1002/chem.201802499
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.cc1lwr7g
title: CCDC 1486426: Experimental Crystal Structure Determination

description: Related Article: Isis L. Melo, Leonardo M. Lube, Eduardo S. Neves, Wagner S. Terra, Christiane Fernandes, Carlos R.R. Matos, Roberto W.A. Franco, Jackson A.L.C. Resende, Daniel C.A. Valente, Bruno A.C. Horta, Thiago M. Cardozo, Adolfo Horn Junior
|2018|Appl.Catal.,A|562|150|doi:10.1016/j.apcata.2018.06.003
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.cc2005bk
title: CCDC 1847207: Experimental Crystal Structure Determination

description: Related Article: Yong Zhang,  Liang Luo,  Jin Ge,  Su-Qiong Yan,  Yan-Xin Peng,  Ya-Ru Liu,  Jin-Xiang Liu,  Chong Liu,  Tianqiong Ma,  and Hai-Qing Luo|2019|J.Org.Chem.|84|4000|doi:10.1021/acs.joc.8b03194
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.cc2005x4
title: CCDC 1847225: Experimental Crystal Structure Determination

description: Related Article: Liana A. Hayriyan, Anna F. Mkrtchyan, Margarita A. Moskalenko, Victor I. Maleev, Zalina T. Gugkaeva, Mikhail M. Ilyin, Kirill K. Babievsky, Pavel V. Dorovatovskii, Victor N. Khrustalev, Alexander S. Peregudov, Yuri N. Belokon|2018|Mendeleev Commun.|28|464|doi:10.1016/j.mencom.2018.09.003
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.cc20062b
title: CCDC 1847230: Experimental Crystal Structure Determination

description: Related Article: Md. Kamal Hossain, Jörg A. Schachner, Matti Haukka, Nadia C. Mösch-Zanetti, Ebbe Nordlander, Ari Lehtonen|2019|Inorg.Chim.Acta|486|17|doi:10.1016/j.ica.2018.10.012
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.cc20063c
title: CCDC 1847231: Experimental Crystal Structure Determination

description: Related Article: Md. Kamal Hossain, Jörg A. Schachner, Matti Haukka, Nadia C. Mösch-Zanetti, Ebbe Nordlander, Ari Lehtonen|2019|Inorg.Chim.Acta|486|17|doi:10.1016/j.ica.2018.10.012
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.cc20064d
title: CCDC 1847232: Experimental Crystal Structure Determination

description: Related Article: Md. Kamal Hossain, Jörg A. Schachner, Matti Haukka, Nadia C. Mösch-Zanetti, Ebbe Nordlander, Ari Lehtonen|2019|Inorg.Chim.Acta|486|17|doi:10.1016/j.ica.2018.10.012
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.cc20065f
title: CCDC 1847233: Experimental Crystal Structure Determination

description: Related Article: Md. Kamal Hossain, Jörg A. Schachner, Matti Haukka, Nadia C. Mösch-Zanetti, Ebbe Nordlander, Ari Lehtonen|2019|Inorg.Chim.Acta|486|17|doi:10.1016/j.ica.2018.10.012
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.cc20068j
title: CCDC 1847236: Experimental Crystal Structure Determination

description: Related Article: Ning Xi,  Xiaohua Sun,  Minxiong Li,  Mingming Sun,  Michael A. Xi,  Zeping Zhan,  Jia Yao,  Xu Bai,  Yanjun Wu,  and Min Liao|2018|J.Org.Chem.|83|11586|doi:10.1021/acs.joc.8b01562
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.cc2006fp
title: CCDC 1847241: Experimental Crystal Structure Determination

description: Related Article: Arkadiusz Frąckowiak, Roman Świetlik, Olivier Jeannin, Marc Fourmigué, Weiwu Li, Martin Dressel|2019|J.Phys.:Condens.Matter|31|155601|doi:10.1088/1361-648X/ab00b5
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.cc2006gq
title: CCDC 1847242: Experimental Crystal Structure Determination

description: Related Article: Arkadiusz Frąckowiak, Roman Świetlik, Olivier Jeannin, Marc Fourmigué, Weiwu Li, Martin Dressel|2019|J.Phys.:Condens.Matter|31|155601|doi:10.1088/1361-648X/ab00b5
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.cc2006hr
title: CCDC 1847243: Experimental Crystal Structure Determination

description: Related Article: Santosh J. Gharpure,  Sudi Naveen,  Ganesh Samala,  Dharmendra S. Vishwakarma|2019|Chem.-Eur.J.|25|1456|doi:10.1002/chem.201805493
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.cc2006py
title: CCDC 1847249: Experimental Crystal Structure Determination

description: Related Article: Shigeyuki Yamada,  Akira Mitsuda,  Kazuya Miyano,  Tsuyoshi Tanaka,  Masato Morita,  Tomohiro Agou,  Toshio Kubota,  and Tsutomu Konno|2018|ACS Omega|3|9105|doi:10.1021/acsomega.8b01490
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.cc2006qz
title: CCDC 1847250: Experimental Crystal Structure Determination

description: Related Article: Shigeyuki Yamada,  Akira Mitsuda,  Kazuya Miyano,  Tsuyoshi Tanaka,  Masato Morita,  Tomohiro Agou,  Toshio Kubota,  and Tsutomu Konno|2018|ACS Omega|3|9105|doi:10.1021/acsomega.8b01490
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.cc2007mx
title: CCDC 1847278: Experimental Crystal Structure Determination

description: Related Article: Waly Diallo, Libasse Diop, Cheikh Abdoul Khadir Diop, Hélène Cattey, Laurent Plasseraud|2018|Main Group Met.Chem.|41|183|doi:10.1515/mgmc-2018-0029
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.cc2007ny
title: CCDC 1847279: Experimental Crystal Structure Determination

description: Related Article: Yanqiu Sun,  Yilong Lei,  Huanli Dong,  Yonggang Zhen,  Wenping Hu|2018|J.Am.Chem.Soc.|140|6186|doi:10.1021/jacs.8b00772
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.