cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.hr4d6b
title: Occurrence Download

description: A dataset containing 30146 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "DatasetKey is iNaturalist Research-grade Observations",
 "Geometry POLYGON((17.762287 -34.668307, 30.355373 -34.668307, 30.355373 -23.342043, 17.762287 -23.342043, 17.762287 -34.668307))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Poaceae)"
 ]
}

 The dataset includes 30146 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005515-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mpted3
title: Occurrence Download

description: A dataset containing 1298 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((-122.3322115668985 42.02260046411914, -122.34360586501393 42.02057692414219, -122.35425052436035 42.01693357974585, -122.3637357805827 42.011810781716584, -122.37169678788653 42.00540582119044, -122.37782769038444 41.99796528308637, -122.38189336328675 41.98977550204321, -122.38373837476964 41.98115149799811, -122.38329283550193 41.97242482585585, -122.38057492997966 41.96393081290649, -122.3756900559716 41.95599567763392, -122.36882662975175 41.94892402410075, -122.36024874021416 41.94298718778184, -122.35028595004322 41.93841287284514, -122.3393206433612 41.93537646929635, -122.32777340407904 41.933994373386184, -122.31608697570194 41.93431955878816, -122.30470940040806 41.93633956204199, -122.29407696211399 41.93997695646887, -122.28459756463121 41.94509229711216, -122.2766351618182 41.95148942815571, -122.27049582202118 41.95892295664819, -122.26641595453515 41.967107615099906, -122.26455315217981 41.97572916344093, -122.26498001278132 41.984456420624625, -122.26768119549615 41.99295397029385, -122.27255384844827 42.00089505553185, -122.27941141590952 42.0079741664486, -122.28799070093274 42.013918832250695, -122.29796192838873 42.01850015680225, -122.30894142965799 42.02154168294648, -122.3205064598317 42.02292623456318, -122.3322115668985 42.02260046411914))",
 "Year is one of (2019, 2020, 2021, 2022, 2023, 2024, 2025)",
 "KingdomKey is one of (Animalia, Fungi, Plantae)"
 ]
}

 The dataset includes 1298 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005518-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xdtx72
title: Occurrence Download

description: A dataset containing 3371 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((-122.44157908888565 41.97771913891751, -122.45296014998043 41.975683290990666, -122.4635889829785 41.97202862656865, -122.47305643523549 41.966895932234394, -122.48099834867723 41.96048287973854, -122.48710960417958 41.95303636475948, -122.49115583398917 41.94484295093067, -122.49298235419342 41.93621779672481, -122.49251998539681 41.92749249996277, -122.48978755687814 41.91900233377723, -122.48489102155797 41.91107336770102, -122.47801924034853 41.90400996794629, -122.46943661971345 41.89808315249556, -122.45947290116655 41.89352024062966, -122.44851050249953 41.89049618483135, -122.43696989514214 41.88912690790096, -122.42529356840075 41.889464892167034, -122.41392917820436 41.89149718361669, -122.40331250471799 41.895145884465386, -122.39385084941128 41.900271116031, -122.3859074878295 41.906676342702355, -122.37978775956807 41.91411586021166, -122.37572732228408 41.92230417022618, -122.37388302284855 41.93092689128174, -122.3743267473796 41.9396527959821, -122.37704250501382 41.94814651864155, -122.38192688081864 41.956081448287094, -122.38879286505863 41.96315231080809, -122.39737693381035 41.96908695208395, -122.40734912510239 41.973656861422846, -122.41832573124746 41.976686021039484, -122.42988411785527 41.978057731122526, -122.44157908888565 41.97771913891751))",
 "Year is one of (2019, 2020, 2021, 2022, 2023, 2024, 2025)",
 "KingdomKey is one of (Animalia, Fungi, Plantae)"
 ]
}

 The dataset includes 3371 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005519-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.32gvz6
title: Occurrence Download

description: A dataset containing 4620 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "DatasetKey is iNaturalist Research-grade Observations",
 "Geometry POLYGON((17.762287 -34.668307, 30.355373 -34.668307, 30.355373 -23.342043, 17.762287 -23.342043, 17.762287 -34.668307))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Cupressaceae, Betulaceae, Pinaceae)"
 ]
}

 The dataset includes 4620 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005517-251120083545085/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.cc2f2snz
title: CCDC 2237011: Experimental Crystal Structure Determination

description: Related Article: Rui Tang,  Shuo Xu,  Gang Cheng,  Kam-Hung Low,  Dongdong Zhang,  Lian Duan,  Chi-Ming Che|2025|Nat.Commun.|16|7776|doi:10.1038/s41467-025-62867-8
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.cc2h71vn
title: CCDC 2300691: Experimental Crystal Structure Determination

description: Related Article: Chengming Li,  Weihua Zhuang,  Yongjie Zhou,  Linfeng He,  Jiayin Yang,  Gang Xu,  Rongchuan Su,  Mao Chen,  Jingsong You|2025|Nat.Commun.|16|7330|doi:10.1038/s41467-025-62763-1
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.cc2h71wp
title: CCDC 2300692: Experimental Crystal Structure Determination

description: Related Article: Chengming Li,  Weihua Zhuang,  Yongjie Zhou,  Linfeng He,  Jiayin Yang,  Gang Xu,  Rongchuan Su,  Mao Chen,  Jingsong You|2025|Nat.Commun.|16|7330|doi:10.1038/s41467-025-62763-1
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.cc2h720v
title: CCDC 2300696: Experimental Crystal Structure Determination

description: Related Article: Chengming Li,  Weihua Zhuang,  Yongjie Zhou,  Linfeng He,  Jiayin Yang,  Gang Xu,  Rongchuan Su,  Mao Chen,  Jingsong You|2025|Nat.Commun.|16|7330|doi:10.1038/s41467-025-62763-1
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.cc2jrnfd
title: CCDC 2346434: Experimental Crystal Structure Determination

description: Related Article: Rui Tang,  Shuo Xu,  Gang Cheng,  Kam-Hung Low,  Dongdong Zhang,  Lian Duan,  Chi-Ming Che|2025|Nat.Commun.|16|7776|doi:10.1038/s41467-025-62867-8
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.cc2ktbyp
title: CCDC 2377853: Experimental Crystal Structure Determination

description: Related Article: Chengming Li,  Weihua Zhuang,  Yongjie Zhou,  Linfeng He,  Jiayin Yang,  Gang Xu,  Rongchuan Su,  Mao Chen,  Jingsong You|2025|Nat.Commun.|16|7330|doi:10.1038/s41467-025-62763-1
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.cc2kwwfs
title: CCDC 2380286: Experimental Crystal Structure Determination

description: Related Article: Heng Yang,  Xiangke Zhang,  Fei-Yang Cao,  Yu-Heng Zhang,  Yan Pan,  Ye-Cheng Wang,  Mingji Dai,  Jian-Jun Dai|2025|Nat.Commun.|16|7706|doi:10.1038/s41467-025-63052-7
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.cc2kwwgt
title: CCDC 2380287: Experimental Crystal Structure Determination

description: Related Article: Heng Yang,  Xiangke Zhang,  Fei-Yang Cao,  Yu-Heng Zhang,  Yan Pan,  Ye-Cheng Wang,  Mingji Dai,  Jian-Jun Dai|2025|Nat.Commun.|16|7706|doi:10.1038/s41467-025-63052-7
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.cc2kzw0g
title: CCDC 2383156: Experimental Crystal Structure Determination

description: Related Article: Zicheng Liao,  Zijun Li,  Meiqiu Xiao,  Youlin Deng,  Zehan Ma,  Lijuan Zhou,  Gangliang Dai,  Xinyu Li,  Shuowen Wang,  Shilu Chen,  Jinheng Li,  Shi Tang|2025|Nat.Commun.|16|7218|doi:10.1038/s41467-025-62092-3
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2kzw1h
title: CCDC 2383157: Experimental Crystal Structure Determination

description: Related Article: Zicheng Liao,  Zijun Li,  Meiqiu Xiao,  Youlin Deng,  Zehan Ma,  Lijuan Zhou,  Gangliang Dai,  Xinyu Li,  Shuowen Wang,  Shilu Chen,  Jinheng Li,  Shi Tang|2025|Nat.Commun.|16|7218|doi:10.1038/s41467-025-62092-3
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2kzw2j
title: CCDC 2383158: Experimental Crystal Structure Determination

description: Related Article: Zicheng Liao,  Zijun Li,  Meiqiu Xiao,  Youlin Deng,  Zehan Ma,  Lijuan Zhou,  Gangliang Dai,  Xinyu Li,  Shuowen Wang,  Shilu Chen,  Jinheng Li,  Shi Tang|2025|Nat.Commun.|16|7218|doi:10.1038/s41467-025-62092-3
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2l2fns
title: CCDC 2385625: Experimental Crystal Structure Determination

description: Related Article: Daniele Paderni, Mauro Formica, Eleonora Macedi, Luca Giorgi, Patrizia Rossi, Michele Retini, Nicola De Cata, Giovanni Zappia, Giovanni Piersanti, Vieri Fusi|2025|Chem.Asian J.|20|e202401258|doi:10.1002/asia.202401258
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.cc2l2fpt
title: CCDC 2385626: Experimental Crystal Structure Determination

description: Related Article: Daniele Paderni, Mauro Formica, Eleonora Macedi, Luca Giorgi, Patrizia Rossi, Michele Retini, Nicola De Cata, Giovanni Zappia, Giovanni Piersanti, Vieri Fusi|2025|Chem.Asian J.|20|e202401258|doi:10.1002/asia.202401258
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.cc2l2fqv
title: CCDC 2385627: Experimental Crystal Structure Determination

description: Related Article: Daniele Paderni, Mauro Formica, Eleonora Macedi, Luca Giorgi, Patrizia Rossi, Michele Retini, Nicola De Cata, Giovanni Zappia, Giovanni Piersanti, Vieri Fusi|2025|Chem.Asian J.|20|e202401258|doi:10.1002/asia.202401258
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.cc2l8cfp
title: CCDC 2391322: Experimental Crystal Structure Determination

description: Related Article: Kazuya Miyazaki, Kento Teranishi, Hiroshi Matsuda, Kyohei Matsuo, Mitsuaki Yamauchi, Yoshiyuki Mizuhata, Nobutaka Shioya, Takeshi Hasegawa, Hiroko Yamada|2025|Advanced Materials Interfaces|12|2400946|doi:10.1002/admi.202400946
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.cc2l8cgq
title: CCDC 2391323: Experimental Crystal Structure Determination

description: Related Article: Kazuya Miyazaki, Kento Teranishi, Hiroshi Matsuda, Kyohei Matsuo, Mitsuaki Yamauchi, Yoshiyuki Mizuhata, Nobutaka Shioya, Takeshi Hasegawa, Hiroko Yamada|2025|Advanced Materials Interfaces|12|2400946|doi:10.1002/admi.202400946
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.cc2lng91
title: CCDC 2402943: Experimental Crystal Structure Determination

description: Related Article: Luyang Li,  Tongyan Yu,  Kemeng Du,  Pan Xu|2025|Nat.Commun.|16|7251|doi:10.1038/s41467-025-62585-1
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.cc2lsdqj
title: CCDC 2406738: Experimental Crystal Structure Determination

description: Related Article: Zhiyang Zhang, Jialei Hu, Hanfeng Ding, Li Zhang,  Peirong Rao|2025|Beilstein J.Org.Chem.|21|926|doi:10.3762/bjoc.21.75
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.cc2lyj47
title: CCDC 2411649: Experimental Crystal Structure Determination

description: Related Article: Ricardo Torán, Jordi Torró, Amparo Sanz-Marco, Carlos Vila, Gonzalo Blay|2025|ChemCatChem|17|e202500033|doi:10.1002/cctc.202500033
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.cc2m8qk6
title: CCDC 2421458: Experimental Crystal Structure Determination

description: Related Article: Bozheng Sun, Elda Sala, Stefano Pecorari, Mario Caironi, Michael J. Ferguson, Carlo S. Casari, Rik R. Tykwinski|2025|J.Phys.Org.Chem.|38|e70015|doi:10.1002/poc.70015
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.cc2m8ql7
title: CCDC 2421459: Experimental Crystal Structure Determination

description: Related Article: Bozheng Sun, Elda Sala, Stefano Pecorari, Mario Caironi, Michael J. Ferguson, Carlo S. Casari, Rik R. Tykwinski|2025|J.Phys.Org.Chem.|38|e70015|doi:10.1002/poc.70015
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.cc2mp4bt
title: CCDC 2433386: Experimental Crystal Structure Determination

description: Related Article: Krystyna A. Deresz, Artem Mikhailov, Joanna Jankowska, Lorenzo Donà, Bartolomeo Civalleri, Adam Krówczyński, Radosław Kamiński, Dominik Schaniel, Katarzyna N. Jarzembska|2025|ACS Omega|10|51940|doi:10.1021/acsomega.5c08267
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.cc2mp4cv
title: CCDC 2433387: Experimental Crystal Structure Determination

description: Related Article: Krystyna A. Deresz, Artem Mikhailov, Joanna Jankowska, Lorenzo Donà, Bartolomeo Civalleri, Adam Krówczyński, Radosław Kamiński, Dominik Schaniel, Katarzyna N. Jarzembska|2025|ACS Omega|10|51940|doi:10.1021/acsomega.5c08267
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.cc2mp4dw
title: CCDC 2433388: Experimental Crystal Structure Determination

description: Related Article: Krystyna A. Deresz, Artem Mikhailov, Joanna Jankowska, Lorenzo Donà, Bartolomeo Civalleri, Adam Krówczyński, Radosław Kamiński, Dominik Schaniel, Katarzyna N. Jarzembska|2025|ACS Omega|10|51940|doi:10.1021/acsomega.5c08267
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.cc2mp4fx
title: CCDC 2433389: Experimental Crystal Structure Determination

description: Related Article: Krystyna A. Deresz, Artem Mikhailov, Joanna Jankowska, Lorenzo Donà, Bartolomeo Civalleri, Adam Krówczyński, Radosław Kamiński, Dominik Schaniel, Katarzyna N. Jarzembska|2025|ACS Omega|10|51940|doi:10.1021/acsomega.5c08267
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.cc2mp4gy
title: CCDC 2433390: Experimental Crystal Structure Determination

description: Related Article: Krystyna A. Deresz, Artem Mikhailov, Joanna Jankowska, Lorenzo Donà, Bartolomeo Civalleri, Adam Krówczyński, Radosław Kamiński, Dominik Schaniel, Katarzyna N. Jarzembska|2025|ACS Omega|10|51940|doi:10.1021/acsomega.5c08267
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.cc2mp4hz
title: CCDC 2433391: Experimental Crystal Structure Determination

description: Related Article: Krystyna A. Deresz, Artem Mikhailov, Joanna Jankowska, Lorenzo Donà, Bartolomeo Civalleri, Adam Krówczyński, Radosław Kamiński, Dominik Schaniel, Katarzyna N. Jarzembska|2025|ACS Omega|10|51940|doi:10.1021/acsomega.5c08267
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.