cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.24201129.v9
title: How Does ChatGPT-3.5 Compare with Developers When Answering Questions and Revising Software?

description: This folder contains all the experiment results and programs for our research to investigate how ChatGPT3.5 performs compared to Developers when answering technical questions and revising software based on maintenance request.
DOI: 10.6084/m9.figshare.24201129.v8
title: How Does ChatGPT-3.5 Compare with Developers When Answering Questions and Revising Software?

description: This folder contains all the experiment results and programs for our research to investigate how ChatGPT3.5 performs compared to Developers when answering technical questions and revising software based on maintenance request.
DOI: 10.5517/ccdc.csd.cc2g0j45
title: CCDC 2264616: Experimental Crystal Structure Determination

description: Related Article: Qin Wang, Jiangnan Dong, Zhangjian Li, Xinyi Wang, Yabing He, Banglin Chen, Dian Zhao|2023|Inorg.Chem.|62|14439|doi:10.1021/acs.inorgchem.3c02374
description: Related Article: Qin Wang, Jiangnan Dong, Zhangjian Li, Xinyi Wang, Yabing He, Banglin Chen, Dian Zhao|2023|Inorg.Chem.|62|14439|doi:10.1021/acs.inorgchem.3c02374
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.cc2g0jfg
title: CCDC 2264625: Experimental Crystal Structure Determination

description: Related Article: Peipei Liu, Meng-Xiang Wu, Meng-Ling Yu, Hao Kang, Bin Huang, Hai-Bo Yang, Xiao-Li Zhao, Xueliang Shi|2024|Org.Lett.|26|7914|doi:10.1021/acs.orglett.4c02886
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.cc2g0jgh
title: CCDC 2264626: Experimental Crystal Structure Determination

description: Related Article: Peipei Liu, Meng-Xiang Wu, Meng-Ling Yu, Hao Kang, Bin Huang, Hai-Bo Yang, Xiao-Li Zhao, Xueliang Shi|2024|Org.Lett.|26|7914|doi:10.1021/acs.orglett.4c02886
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.cc2g0jhj
title: CCDC 2264627: Experimental Crystal Structure Determination

description: Related Article: Peipei Liu, Yantong Li, Meng-Xiang Wu, Hao Kang, Xiao-li Zhao, Lin Xu, Linlin Liu, Xiaodong Li, Junfeng Fang, Zhiwei Fang, Ya Chen, Hai-Bo Yang, Huakang Yu, Xueliang Shi|2025|Sci.China.Chem.|68|233|doi:10.1007/s11426-024-2171-4
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.cc2g0jjk
title: CCDC 2264628: Experimental Crystal Structure Determination

description: Related Article: Peipei Liu, Yantong Li, Meng-Xiang Wu, Hao Kang, Xiao-li Zhao, Lin Xu, Linlin Liu, Xiaodong Li, Junfeng Fang, Zhiwei Fang, Ya Chen, Hai-Bo Yang, Huakang Yu, Xueliang Shi|2025|Sci.China.Chem.|68|233|doi:10.1007/s11426-024-2171-4
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.cc2g0jkl
title: CCDC 2264629: Experimental Crystal Structure Determination

description: Related Article: Peipei Liu, Meng-Xiang Wu, Meng-Ling Yu, Hao Kang, Bin Huang, Hai-Bo Yang, Xiao-Li Zhao, Xueliang Shi|2024|Org.Lett.|26|7914|doi:10.1021/acs.orglett.4c02886
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.cc2g0jtv
title: CCDC 2264637: Experimental Crystal Structure Determination

description: Related Article: Jayanta Saha, Soumadip Banerjee, Sidhartha Malo, Abhijit Kumar Das, Indrajit Das|2024|Chem.-Eur.J.|30|e202304009|doi:10.1002/chem.202304009
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.cc2dm709
title: CCDC 2223010: Experimental Crystal Structure Determination

description: Related Article: Siya T. Hulushe, Frederick P. Malan, Eric C. Hosten, Matthew P. Akerman, Andreas Lemmerer, Setshaba D. Khanye, Gareth M. Watkins|2023|Cryst.Growth Des.|23|4836|doi:10.1021/acs.cgd.3c00055
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.cc2g0jwx
title: CCDC 2264639: Experimental Crystal Structure Determination

description: Related Article: youming si|2024|CSD Communication|||
description: Related Article: Si Youming, Zheng Lingfeng, Chen Pengzhong, Fan Jiangli, Peng Xiaojun|2023|Huaxue Gongcheng|||doi:10.11949/0438-1157.20231414
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.cc2d82b3
title: CSD 2212294: Experimental Crystal Structure Determination

description: Related Article: N. Yasmin, M. F. B. Noor and T. Besara|2024|J.Phys.:Condens.Matter|36|275801|doi:10.1088/1361-648X/ad3875
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.cc2g0jxy
title: CCDC 2264640: Experimental Crystal Structure Determination

description: Related Article: Jevy V. Correia, Bruno Wilke, Carola Schulzke|2023|Molbank|2023|M1692|doi:10.3390/M1692
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.cc28fp8p
title: CCDC 2098522: Experimental Crystal Structure Determination

description: Related Article: Satoru Noji, Yoshinori Hara, Tomoya Miura, Hiroshi Yamanaka, Katsuya Maeda, Akimi Hori, Hiroshi Yamamoto, Shingo Obika, Masafumi Inoue, Yasunori Hase, Takuya Orita, Satoki Doi, Tsuyoshi Adachi, Atsuo Tanimoto, Chika Oki, Yukari Kimoto, Yoshihiro Ogawa, Tamotsu Negoro, Hiromasa Hashimoto, Makoto Shiozaki|2020|J.Med.Chem.|63|7163|doi:10.1021/acs.jmedchem.0c00450
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.cc2g0k13
title: CCDC 2264644: Experimental Crystal Structure Determination

description: Related Article: Zhangjian Li, Jiangnan Dong, Qin Wang, Nanqi Chen, Wenlu Cui, Yabing He, Banglin Chen, Dian Zhao|2023|J.Lumin.|263|120070|doi:10.1016/j.jlumin.2023.120070
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.cc2g0k24
title: CCDC 2264645: Experimental Crystal Structure Determination

description: Related Article: Yiran Wang, Matthew L. Nisbet, Kendall R. Kamp, Emily Hiralal, Romain Gautier, P. Shiv Halasyamani, Kenneth R. Poeppelmeier|2023|J.Am.Chem.Soc.|145|16879|doi:10.1021/jacs.3c05380
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.cc2g0k35
title: CCDC 2264646: Experimental Crystal Structure Determination

description: Related Article: Yiran Wang, Matthew L. Nisbet, Kendall R. Kamp, Emily Hiralal, Romain Gautier, P. Shiv Halasyamani, Kenneth R. Poeppelmeier|2023|J.Am.Chem.Soc.|145|16879|doi:10.1021/jacs.3c05380
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.cc2g0k46
title: CCDC 2264647: Experimental Crystal Structure Determination

description: Related Article: Yiran Wang, Matthew L. Nisbet, Kendall R. Kamp, Emily Hiralal, Romain Gautier, P. Shiv Halasyamani, Kenneth R. Poeppelmeier|2023|J.Am.Chem.Soc.|145|16879|doi:10.1021/jacs.3c05380
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.cc2g0k57
title: CCDC 2264648: Experimental Crystal Structure Determination

description: Related Article: Yiran Wang, Matthew L. Nisbet, Kendall R. Kamp, Emily Hiralal, Romain Gautier, P. Shiv Halasyamani, Kenneth R. Poeppelmeier|2023|J.Am.Chem.Soc.|145|16879|doi:10.1021/jacs.3c05380
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.cc2brhh3
title: CCDC 2167535: Experimental Crystal Structure Determination

description: Related Article: Luke E. Brennan, Lokesh K. Kumawat, Magdalene E. Piatek, Airlie J. Kinross, Daniel A. McNaughton, Luke Marchetti, Conor Geraghty, Conor Wynne, Hua Tong, Oisin N. Kavanagh, Finbarr O'Sullivan, Chris S. Hawes, Philip A. Gale, Kevin Kavanagh, Robert B. P. Elmes|2023|Chem (Cell Press)|9|3138|doi:10.1016/j.chempr.2023.07.014
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.cc2g0k68
title: CCDC 2264649: Experimental Crystal Structure Determination

description: Related Article: Yiran Wang, Matthew L. Nisbet, Kendall R. Kamp, Emily Hiralal, Romain Gautier, P. Shiv Halasyamani, Kenneth R. Poeppelmeier|2023|J.Am.Chem.Soc.|145|16879|doi:10.1021/jacs.3c05380
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.cc2brhj4
title: CCDC 2167536: Experimental Crystal Structure Determination

description: Related Article: Luke E. Brennan, Lokesh K. Kumawat, Magdalene E. Piatek, Airlie J. Kinross, Daniel A. McNaughton, Luke Marchetti, Conor Geraghty, Conor Wynne, Hua Tong, Oisin N. Kavanagh, Finbarr O'Sullivan, Chris S. Hawes, Philip A. Gale, Kevin Kavanagh, Robert B. P. Elmes|2023|Chem (Cell Press)|9|3138|doi:10.1016/j.chempr.2023.07.014
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.cc2brhk5
title: CCDC 2167537: Experimental Crystal Structure Determination

description: Related Article: Luke E. Brennan, Lokesh K. Kumawat, Magdalene E. Piatek, Airlie J. Kinross, Daniel A. McNaughton, Luke Marchetti, Conor Geraghty, Conor Wynne, Hua Tong, Oisin N. Kavanagh, Finbarr O'Sullivan, Chris S. Hawes, Philip A. Gale, Kevin Kavanagh, Robert B. P. Elmes|2023|Chem (Cell Press)|9|3138|doi:10.1016/j.chempr.2023.07.014
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: 10.15468/dl.hw4963
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Coryphopterus dicrus, Coryphopterus eidolon, Coryphopterus thrix, Cosmocampus albirostris, Cosmocampus elucens, Cryptotomus roseus, Ctenogobius boleosoma, Ctenogobius saepepallens, Ctenogobius shufeldti, Dactyloscopus crossotus, Dactyloscopus foraminosus, Dactyloscopus tridigitatus, Decodon puellaris, Dermatolepis inermis, Diodon holocanthus, Diodon hystrix, Diplectrum bivittatum, Diplectrum formosum, Diplectrum radiale, Diplodus argenteus, Doratonotus megalepis, Dules auriga, Echeneis naucrates, Echidna catenata, Elacatinus figaro, Elacatinus phthirophagus, Elacatinus pridisi, Elagatis bipinnulata, Emblemaria australis, Emblemariopsis signifer, Enchelycore anatina, Enchelycore carychroa, Enchelycore nigricans, Enneanectes altivelis, Enneanectes smithi, Entomacrodus vomerinus, Epinephelus adscensionis, Epinephelus itajara, Epinephelus marginatus, Epinephelus morio, Equetus lanceolatus, Equetus punctatus, Etelis oculatus, Fistularia petimba, Fistularia tabacaria, Gillellus greyae, Gnatholepis thompsoni, Gobiesox barbatulus, Gobioclinus kalisherae, Gobiosoma alfiei, Gobiosoma hemigymnum, Gobulus myersi, Gonioplectrus hispanus, Gramma brasiliensis, Gymnothorax conspersus, Gymnothorax funebris, Gymnothorax maderensis, Gymnothorax miliaris, Gymnothorax moringa, Gymnothorax ocellatus, Gymnothorax polygonius, Gymnothorax vicinus, Haemulon album, Haemulon atlanticus, Haemulon aurolineatum, Haemulon melanurum, Haemulon parra, Haemulon plumierii, Haemulon squamipinna, Haemulon striatum, Haemulon vittatum, Halicampus crinitus, Halichoeres bivittatus, Halichoeres brasiliensis, Halichoeres dimidiatus, Halichoeres penrosei, Halichoeres poeyi, Halichoeres radiatus, Halichoeres rubrovirens, Halichoeres sazimai, Hemiramphus brasiliensis, Heteroconger camelopardalis, Heteropriacanthus cruentatus, Hippocampus erectus, Hippocampus patagonicus, Hippocampus reidi, Holacanthus ciliaris, Holacanthus tricolor, Holocentrus adscensionis, Hypleurochilus brasil, Hypleurochilus fissicornis, Hypleurochilus pseudoaequipinnis, Hyporthodus flavolimbatus, Hyporthodus mystacinus, Hyporthodus nigritus, Hyporthodus niveatus, Hypsoblennius invemar, Kaupichthys hyoproroides, Kyphosus incisor, Kyphosus sectatrix, Labrisomus conditus)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Machine Observation)",
 "Country is BRAZIL",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1900"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000310-251025141854904/datasets/export for details.
DOI: 10.5517/ccdc.csd.cc2brhl6
title: CCDC 2167538: Experimental Crystal Structure Determination

description: Related Article: Luke E. Brennan, Lokesh K. Kumawat, Magdalene E. Piatek, Airlie J. Kinross, Daniel A. McNaughton, Luke Marchetti, Conor Geraghty, Conor Wynne, Hua Tong, Oisin N. Kavanagh, Finbarr O'Sullivan, Chris S. Hawes, Philip A. Gale, Kevin Kavanagh, Robert B. P. Elmes|2023|Chem (Cell Press)|9|3138|doi:10.1016/j.chempr.2023.07.014
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.cc2g0k79
title: CCDC 2264650: Experimental Crystal Structure Determination

description: Related Article: Megan Edwards, Jamie Hicks, Caitilín McManus, Jose M. Goicoechea, Simon Aldridge|2023|Polyhedron|242|116520|doi:10.1016/j.poly.2023.116520
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.cc2g0k8b
title: CCDC 2264651: Experimental Crystal Structure Determination

description: Related Article: Megan Edwards, Jamie Hicks, Caitilín McManus, Jose M. Goicoechea, Simon Aldridge|2023|Polyhedron|242|116520|doi:10.1016/j.poly.2023.116520
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.cc2g0k9c
title: CCDC 2264652: Experimental Crystal Structure Determination

description: Related Article: Megan Edwards, Jamie Hicks, Caitilín McManus, Jose M. Goicoechea, Simon Aldridge|2023|Polyhedron|242|116520|doi:10.1016/j.poly.2023.116520
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.cc2g0kbd
title: CCDC 2264653: Experimental Crystal Structure Determination

description: Related Article: Megan Edwards, Jamie Hicks, Caitilín McManus, Jose M. Goicoechea, Simon Aldridge|2023|Polyhedron|242|116520|doi:10.1016/j.poly.2023.116520
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.cc2g0kdg
title: CCDC 2264655: Experimental Crystal Structure Determination

description: Related Article: Vahid Amani|2022|Inorg. Chem. Res.||155|doi:10.22036/j10.22036.2023.398659.1143
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.cc2g0khk
title: CCDC 2264658: Experimental Crystal Structure Determination

description: Related Article: Emilis Gudelis, Aurimas Bieliauskas, Rūta Gruškienė, Vytas Martynaitis, Neringa Kleizienė, Frank A. Sløk, Algirdas Šačkus|2024|Monatsh.Chem.|155|83|doi:10.1007/s00706-023-03149-1
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.cc2g0krt
title: CCDC 2264666: Experimental Crystal Structure Determination

description: Related Article: Emilis Gudelis, Aurimas Bieliauskas, Rūta Gruškienė, Vytas Martynaitis, Neringa Kleizienė, Frank A. Sløk, Algirdas Šačkus|2024|Monatsh.Chem.|155|83|doi:10.1007/s00706-023-03149-1
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.