cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1z8jxp
title: CCDC 1825463: Experimental Crystal Structure Determination

description: Related Article: Quentin Bonnin, Sook-Yen Wong, Cedric Balan, Virginie Comte, Raluca Malacea, Marie-Jose Penouilh, Philippe Richard, Gerald Kehr, Adrien T. Normand, Gerhard Erker, Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
description: Related Article: Quentin Bonnin,  Sook-Yen Wong,  Cédric Balan,  Virginie Comte,  Raluca Malacea,  Marie-José Penouilh,  Philippe Richard,  Gerald Kehr,  Adrien Normand,  Gerhard Erker,  and Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
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.cc1z8jyq
title: CCDC 1825464: Experimental Crystal Structure Determination

description: Related Article: Quentin Bonnin, Sook-Yen Wong, Cedric Balan, Virginie Comte, Raluca Malacea, Marie-Jose Penouilh, Philippe Richard, Gerald Kehr, Adrien T. Normand, Gerhard Erker, Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
description: Related Article: Quentin Bonnin,  Sook-Yen Wong,  Cédric Balan,  Virginie Comte,  Raluca Malacea,  Marie-José Penouilh,  Philippe Richard,  Gerald Kehr,  Adrien Normand,  Gerhard Erker,  and Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
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.cc1z8jzr
title: CCDC 1825465: Experimental Crystal Structure Determination

description: Related Article: Quentin Bonnin, Sook-Yen Wong, Cedric Balan, Virginie Comte, Raluca Malacea, Marie-Jose Penouilh, Philippe Richard, Gerald Kehr, Adrien T. Normand, Gerhard Erker, Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
description: Related Article: Quentin Bonnin,  Sook-Yen Wong,  Cédric Balan,  Virginie Comte,  Raluca Malacea,  Marie-José Penouilh,  Philippe Richard,  Gerald Kehr,  Adrien Normand,  Gerhard Erker,  and Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
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.cc1z8k0t
title: CCDC 1825466: Experimental Crystal Structure Determination

description: Related Article: Quentin Bonnin, Sook-Yen Wong, Cedric Balan, Virginie Comte, Raluca Malacea, Marie-Jose Penouilh, Philippe Richard, Gerald Kehr, Adrien T. Normand, Gerhard Erker, Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
description: Related Article: Quentin Bonnin,  Sook-Yen Wong,  Cédric Balan,  Virginie Comte,  Raluca Malacea,  Marie-José Penouilh,  Philippe Richard,  Gerald Kehr,  Adrien Normand,  Gerhard Erker,  and Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
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.cc1z8k1v
title: CCDC 1825467: Experimental Crystal Structure Determination

description: Related Article: Quentin Bonnin, Sook-Yen Wong, Cedric Balan, Virginie Comte, Raluca Malacea, Marie-Jose Penouilh, Philippe Richard, Gerald Kehr, Adrien T. Normand, Gerhard Erker, Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
description: Related Article: Quentin Bonnin,  Sook-Yen Wong,  Cédric Balan,  Virginie Comte,  Raluca Malacea,  Marie-José Penouilh,  Philippe Richard,  Gerald Kehr,  Adrien Normand,  Gerhard Erker,  and Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
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.cc1z8kb4
title: CCDC 1825476: Experimental Crystal Structure Determination

description: Related Article: N.Muschelknautz, F.Rominger, T.J.J.Müller|2018|Khim.Get.Soedin.,SSSR|54|320|doi:10.1007/s10593-018-2267-1
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.cc1z8kf7
title: CCDC 1825479: Experimental Crystal Structure Determination

description: Related Article: Joana I. T. Costa, Andreia S. F. Farinha, Filipe A. Almeida Paz, Augusto C. Tomé|2019|Molecules|24|3177|doi:10.3390/molecules24173177
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.cc1z8kg8
title: CCDC 1825480: Experimental Crystal Structure Determination

description: Related Article: Shamaila Iram,  Muhammad Imran,  Farah Kanwal,  Shoomaila Latif,  Zafar Iqbal,   Hans Georg Stammler|2018|Chem. Sel.|3|10443|doi:10.1002/slct.201801665
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.cc1z8kkc
title: CCDC 1825483: Experimental Crystal Structure Determination

description: Related Article: Anna Hanft, Crispin Lichtenberg|2018|Dalton Trans.|47|10578|doi:10.1039/C8DT01019F
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.cc1z8kld
title: CCDC 1825484: Experimental Crystal Structure Determination

description: Related Article: Anna Hanft, Crispin Lichtenberg|2018|Dalton Trans.|47|10578|doi:10.1039/C8DT01019F
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.cc1z8kmf
title: CCDC 1825485: Experimental Crystal Structure Determination

description: Related Article: Anna Hanft, Crispin Lichtenberg|2018|Dalton Trans.|47|10578|doi:10.1039/C8DT01019F
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.cc1z8kng
title: CCDC 1825486: Experimental Crystal Structure Determination

description: Related Article: Anna Hanft, Crispin Lichtenberg|2018|Dalton Trans.|47|10578|doi:10.1039/C8DT01019F
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.cc1z8kph
title: CCDC 1825487: Experimental Crystal Structure Determination

description: Related Article: Anna Hanft, Crispin Lichtenberg|2018|Dalton Trans.|47|10578|doi:10.1039/C8DT01019F
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.cc1z8kqj
title: CCDC 1825488: Experimental Crystal Structure Determination

description: Related Article: Anna Hanft, Crispin Lichtenberg|2018|Dalton Trans.|47|10578|doi:10.1039/C8DT01019F
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.cc1z8krk
title: CCDC 1825489: Experimental Crystal Structure Determination

description: Related Article: Yi Jiun Tan,  Chien Ing Yeo,  Nathan R. Halcovitch,  Edward R.T. Tiekink|2018|Z.Kristallogr.-New Cryst.Struct.|233|507|doi:10.1515/ncrs-2017-0402
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.cc1z8ksl
title: CCDC 1825490: Experimental Crystal Structure Determination

description: Related Article: Jonathan Tellers, Jérôme Vachon, Stefano Canossa, Roberta Pinalli, Maria Soliman, Enrico Dalcanale|2018|Macromolecules|51|7680|doi:10.1021/acs.macromol.8b01715
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.cc1z8ktm
title: CCDC 1825491: Experimental Crystal Structure Determination

description: Related Article: Chien Ing Yeo,  Edward R.T. Tiekink|2018|Z.Kristallogr.-New Cryst.Struct.|233|503|doi:10.1515/ncrs-2017-0401
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.cc1z8kvn
title: CCDC 1825492: Experimental Crystal Structure Determination

description: Related Article: Jennifer Deutscher, Teresa Corona, Katrin Warm, Xenia Engelmann, Sebastian Sobottka, Beatrice Braun-Cula, Biprajit Sarkar, Kallol Ray|2018|Eur.J.Inorg.Chem.|2018|4925|doi:10.1002/ejic.201800269
description: Related Article: Jennifer Deutscher, Teresa Corona, Katrin Warm, Xenia Engelmann, Sebastian Sobottka, Beatrice Braun-Cula, Biprajit Sarkar, Kallol Ray|2018|Eur.J.Inorg.Chem.|2018|4925|doi:10.1002/ejic.201800269
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.cc1z8kxq
title: CCDC 1825494: Experimental Crystal Structure Determination

description: Related Article: Jennifer Deutscher, Teresa Corona, Katrin Warm, Xenia Engelmann, Sebastian Sobottka, Beatrice Braun-Cula, Biprajit Sarkar, Kallol Ray|2018|Eur.J.Inorg.Chem.|2018|4925|doi:10.1002/ejic.201800269
description: Related Article: Jennifer Deutscher, Teresa Corona, Katrin Warm, Xenia Engelmann, Sebastian Sobottka, Beatrice Braun-Cula, Biprajit Sarkar, Kallol Ray|2018|Eur.J.Inorg.Chem.|2018|4925|doi:10.1002/ejic.201800269
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.cc1z8l0v
title: CCDC 1825497: Experimental Crystal Structure Determination

description: Related Article: Wei Lin, Ming-Hua Hu, Xian Feng, Cheng-Pao Cao, Zhi-Bin Huang, Da-Qing Shi|2013|Tetrahedron|69|6721|doi:10.1016/j.tet.2013.05.074
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.cc1z8l2x
title: CCDC 1825499: Experimental Crystal Structure Determination

description: Related Article: Chien Ing Yeo,  Edward R.T. Tiekink|2018|Z.Kristallogr.-New Cryst.Struct.|233|499|doi:10.1515/ncrs-2017-0398
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.cc1pxlls
title: CCDC 1576616: Experimental Crystal Structure Determination

description: Related Article: Hong-Ru Fu,  Kai-Lu Wang,  Xiao-Xiao Zhao|2018|Z.Kristallogr.-New Cryst.Struct.|233|349|doi:10.1515/ncrs-2017-0177
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.cc1q5mdx
title: CCDC 1584329: Experimental Crystal Structure Determination

description: Related Article: Pingting Zhu,  Jiaojiao Zhou|2018|Z.Kristallogr.-New Cryst.Struct.|233|455|doi:10.1515/ncrs-2017-0347
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.cc1qb2mr
title: CCDC 1588614: Experimental Crystal Structure Determination

description: Related Article: Ghodrat Mahmoudi, Saikat Kumar Seth, Antonio Bauzá, Fedor I. Zubkov, Atash V. Gurbanov, Jonathan White, Vladimir Stilinović, Thomas Doert, Antonio Frontera|2018|CrystEngComm|20|2812|doi:10.1039/C8CE00110C
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.cc1qb2ns
title: CCDC 1588615: Experimental Crystal Structure Determination

description: Related Article: Ghodrat Mahmoudi, Saikat Kumar Seth, Antonio Bauzá, Fedor I. Zubkov, Atash V. Gurbanov, Jonathan White, Vladimir Stilinović, Thomas Doert, Antonio Frontera|2018|CrystEngComm|20|2812|doi:10.1039/C8CE00110C
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.cc1qb2pt
title: CCDC 1588616: Experimental Crystal Structure Determination

description: Related Article: Ghodrat Mahmoudi, Saikat Kumar Seth, Antonio Bauzá, Fedor I. Zubkov, Atash V. Gurbanov, Jonathan White, Vladimir Stilinović, Thomas Doert, Antonio Frontera|2018|CrystEngComm|20|2812|doi:10.1039/C8CE00110C
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.cc1qb2qv
title: CCDC 1588617: Experimental Crystal Structure Determination

description: Related Article: Ghodrat Mahmoudi, Saikat Kumar Seth, Antonio Bauzá, Fedor I. Zubkov, Atash V. Gurbanov, Jonathan White, Vladimir Stilinović, Thomas Doert, Antonio Frontera|2018|CrystEngComm|20|2812|doi:10.1039/C8CE00110C
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.cc1z8l61
title: CCDC 1825503: Experimental Crystal Structure Determination

description: Related Article: Grace Obi, Sizwe J. Zamisa, Fanie R. Heerden|2018|Z.Kristallogr.-New Cryst.Struct.|233|343|doi:10.1515/ncrs-2017-0068
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.cc1z8l72
title: CCDC 1825504: Experimental Crystal Structure Determination

description: Related Article: Svetlana A. Kalinina, Dmitrii V. Kalinin, Yannick Hövelmann, Constantin G. Daniliuc, Christian Mück-Lichtenfeld, Benedikt Cramer, and Hans-Ulrich Humpf
|2018|J.Nat.Prod.|81|2177|doi:10.1021/acs.jnatprod.8b00187
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.cc1z8l83
title: CCDC 1825505: Experimental Crystal Structure Determination

description: Related Article: Rui Zhang, Zhikun Zhang, Qi Zhou, Lefei Yu, Jianbo Wang|2019|Angew.Chem.,Int.Ed.|58|5744|doi:10.1002/anie.201901591
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.cc1z8lb5
title: CCDC 1825507: Experimental Crystal Structure Determination

description: Related Article: Mert Olgun Karataş, Gamze Çalgın, Bülent Alıcı, Başak Gökçe, Nahit Gençer, Tuğba Taşkın Tok, Oktay Arslan, Işın Kılıç‐Cıkla, Namık Özdemir|2019|Appl.Organomet.Chem.|33|e5130|doi:10.1002/aoc.5130
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.ms8xab
title: Occurrence Download

description: A dataset containing 80 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is North America",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Thecla erybathis",
 "Year 1965-2015"
 ]
}

 The dataset includes 80 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0055563-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc1z2ccs
title: CCDC 1819525: Experimental Crystal Structure Determination

description: Related Article: Chao Liu,  Yang Lu,  Yong Guo,  Qing-Yun Chen,  and Chuyu Huang|2018|Eur.J.Org.Chem.|2018|2082|doi:10.1002/ejoc.201800325
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.cc1z8lg9
title: CCDC 1825511: Experimental Crystal Structure Determination

description: Related Article: Brian W. Skelton, Matthew J. Piggott|2018|CSD Communication|||
description: Related Article: Katie D. Lewis, Glenn A. Pullella, Han Chern Loh, Brian W. Skelton, Gavin R. Flematti, Matthew J. Piggott|2023|Aust.J.Chem.|76|299|doi:10.1071/CH23064
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.