cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1kmwz1
title: CCDC 1449094: Experimental Crystal Structure Determination

description: Related Article: Yunlong Wu, Guo-Ping Yang, Jiao Liu, Yangtian Yan, Xinjun Luan, Wen-Yan Zhang, Yao-Yu Wang|2016|CrystEngComm|18|5901|doi:10.1039/C6CE00731G
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.cc14jv8s
title: CCDC 1058875: Experimental Crystal Structure Determination

description: Related Article: Kosuke Katagiri,  Shinsuke Komagawa,  Masanobu Uchiyama,  Kentaro Yamaguchi,  and Isao Azumaya|2015|Org.Lett.|17|3650|doi:10.1021/acs.orglett.5b01455
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.cc14jv9t
title: CCDC 1058876: Experimental Crystal Structure Determination

description: Related Article: Kosuke Katagiri,  Shinsuke Komagawa,  Masanobu Uchiyama,  Kentaro Yamaguchi,  and Isao Azumaya|2015|Org.Lett.|17|3650|doi:10.1021/acs.orglett.5b01455
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.cc14jvbv
title: CCDC 1058877: Experimental Crystal Structure Determination

description: Related Article: Kosuke Katagiri,  Shinsuke Komagawa,  Masanobu Uchiyama,  Kentaro Yamaguchi,  and Isao Azumaya|2015|Org.Lett.|17|3650|doi:10.1021/acs.orglett.5b01455
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.cc14jvcw
title: CCDC 1058878: Experimental Crystal Structure Determination

description: Related Article: Kosuke Katagiri,  Shinsuke Komagawa,  Masanobu Uchiyama,  Kentaro Yamaguchi,  and Isao Azumaya|2015|Org.Lett.|17|3650|doi:10.1021/acs.orglett.5b01455
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.cc1lwnw0
title: CCDC 1486353: Experimental Crystal Structure Determination

description: Related Article: Kosuke Katagiri,  Shinsuke Komagawa,  Masanobu Uchiyama,  Kentaro Yamaguchi,  and Isao Azumaya|2015|Org.Lett.|17|3650|doi:10.1021/acs.orglett.5b01455
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.cc1lddky
title: CCDC 1471680: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1lw9pg
title: CCDC 1486006: Experimental Crystal Structure Determination

description: Related Article: Tobias Woehrle, Rafet Guendemir, Wolfgang Frey, Friedericke Knecht, Andreas Köhn, Sabine Laschat|2017|Chem.-Eur.J.|23|4149|doi:10.1002/chem.201605648
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.cc1lddft
title: CCDC 1471676: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1lddhw
title: CCDC 1471678: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1lddcr
title: CCDC 1471674: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1lddlz
title: CCDC 1471681: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1lddgv
title: CCDC 1471677: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1lddjx
title: CCDC 1471679: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1ldd8n
title: CCDC 1471671: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1lw57w
title: CCDC 1485868: Experimental Crystal Structure Determination

description: Related Article: Ritambhara Jangir,  Alok Ch. Kalita,  Dhananjayan Kaleeswaran,  Sandeep K. Gupta,  Ramaswamy Murugavel|2018|Chem.-Eur.J.|24|6178|doi:10.1002/chem.201800149 
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.cc1lw58x
title: CCDC 1485869: Experimental Crystal Structure Determination

description: Related Article: Ritambhara Jangir,  Alok Ch. Kalita,  Dhananjayan Kaleeswaran,  Sandeep K. Gupta,  Ramaswamy Murugavel|2018|Chem.-Eur.J.|24|6178|doi:10.1002/chem.201800149 
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.cc1lw83v
title: CCDC 1485957: Experimental Crystal Structure Determination

description: Related Article: Ritambhara Jangir,  Alok Ch. Kalita,  Dhananjayan Kaleeswaran,  Sandeep K. Gupta,  Ramaswamy Murugavel|2018|Chem.-Eur.J.|24|6178|doi:10.1002/chem.201800149 
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.cc1lw8sj
title: CCDC 1485978: Experimental Crystal Structure Determination

description: Related Article: Ritambhara Jangir,  Alok Ch. Kalita,  Dhananjayan Kaleeswaran,  Sandeep K. Gupta,  Ramaswamy Murugavel|2018|Chem.-Eur.J.|24|6178|doi:10.1002/chem.201800149 
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.cc1lw9wn
title: CCDC 1486012: Experimental Crystal Structure Determination

description: Related Article: Francisco Aznarez, Manuel Iglesias, Alexander Hepp, Benjamin Veit, Pablo J. Sanz Miguel, Luis A. Oro, Guo-Xin Jin and F. Ekkehardt Hahn|2016|Eur.J.Inorg.Chem.|2016|4598|doi:10.1002/ejic.201600922
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.cc1lw9xp
title: CCDC 1486013: Experimental Crystal Structure Determination

description: Related Article: Francisco Aznarez, Manuel Iglesias, Alexander Hepp, Benjamin Veit, Pablo J. Sanz Miguel, Luis A. Oro, Guo-Xin Jin and F. Ekkehardt Hahn|2016|Eur.J.Inorg.Chem.|2016|4598|doi:10.1002/ejic.201600922
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.cc1lwc94
title: CCDC 1486056: Experimental Crystal Structure Determination

description: Related Article: Chun-Hua Huang, Meng Wen, Chun-Ya Wang, Yong-Feng Lu, Xi-He Huang, Hao-Hong Li, Shu-Ting Wu, Nai-Feng Zhuang, Xiao-Lin Hu|2017|Dalton Trans.|46|1413|doi:10.1039/C6DT03965K
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.cc1lwcb5
title: CCDC 1486057: Experimental Crystal Structure Determination

description: Related Article: Chun-Hua Huang, Meng Wen, Chun-Ya Wang, Yong-Feng Lu, Xi-He Huang, Hao-Hong Li, Shu-Ting Wu, Nai-Feng Zhuang, Xiao-Lin Hu|2017|Dalton Trans.|46|1413|doi:10.1039/C6DT03965K
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.cc1lwcc6
title: CCDC 1486058: Experimental Crystal Structure Determination

description: Related Article: Chun-Hua Huang, Meng Wen, Chun-Ya Wang, Yong-Feng Lu, Xi-He Huang, Hao-Hong Li, Shu-Ting Wu, Nai-Feng Zhuang, Xiao-Lin Hu|2017|Dalton Trans.|46|1413|doi:10.1039/C6DT03965K
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.cc1ldd2g
title: CCDC 1471665: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1lwcd7
title: CCDC 1486059: Experimental Crystal Structure Determination

description: Related Article: Chun-Hua Huang, Meng Wen, Chun-Ya Wang, Yong-Feng Lu, Xi-He Huang, Hao-Hong Li, Shu-Ting Wu, Nai-Feng Zhuang, Xiao-Lin Hu|2017|Dalton Trans.|46|1413|doi:10.1039/C6DT03965K
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.cc1lddbq
title: CCDC 1471673: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1ldd3h
title: CCDC 1471666: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1ldd6l
title: CCDC 1471669: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.cc1ldd5k
title: CCDC 1471668: Experimental Crystal Structure Determination

description: Related Article: Tatiana Spallek, Oliver Heß, Melanie Meermann-Zimmermann, Christian Meermann, Michael G. Klimpel, Frank Estler, David Schneider, Wolfgang Scherer, Maxim Tafipolsky, Karl W. Törnroos, Cäcilia Maichle-Mössmer, Peter Sirsch, Reiner Anwander|2016|Dalton Trans.|45|13750|doi:10.1039/C6DT01568A
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.ccyvpgx
title: CCDC 889590: Experimental Crystal Structure Determination

description: Related Article: Akhilesh K. Verma,  Abhinandan K. Danodia,  Rakesh K. Saunthwal,  Monika Patel,  and Deepak Choudhary|2015|Org.Lett.|17|3658|doi:10.1021/acs.orglett.5b01476
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.cc1lw9yq
title: CCDC 1486014: Experimental Crystal Structure Determination

description: Related Article: Ioannis D. Kostas, Georgia Antonopoulou, Constantinos Potamitis, Catherine P. Raptopoulou, Vassilis Psycharis|2017|J.Organomet.Chem.|828|133|doi:10.1016/j.jorganchem.2016.11.036
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.cc1lw9zr
title: CCDC 1486015: Experimental Crystal Structure Determination

description: Related Article: Ioannis D. Kostas, Georgia Antonopoulou, Constantinos Potamitis, Catherine P. Raptopoulou, Vassilis Psycharis|2017|J.Organomet.Chem.|828|133|doi:10.1016/j.jorganchem.2016.11.036
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.cc1lwb0t
title: CCDC 1486016: Experimental Crystal Structure Determination

description: Related Article: Hang Zhang,  Bo Wang,  Heng Yi,  Yan Zhang,  and Jianbo Wang|2015|Org.Lett.|17|3322|doi:10.1021/acs.orglett.5b01542
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.