cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc11rc6c
title: CCDC 975762: Experimental Crystal Structure Determination

description: Related Article: Min Tang, Dong Xing, Haoxi Huang, Wenhao Hu|2015|Chem.Commun.|51|10612|doi:10.1039/C5CC01979F
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: 10.13140/rg.2.2.20261.82401
title: Fuzzy Ahp intutitive decision-making system
DOI: 10.5517/cc11rc7d
title: CCDC 975763: Experimental Crystal Structure Determination

description: Related Article: Min Tang, Dong Xing, Haoxi Huang, Wenhao Hu|2015|Chem.Commun.|51|10612|doi:10.1039/C5CC01979F
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/cc11rc8f
title: CCDC 975764: Experimental Crystal Structure Determination

description: Related Article: Min Tang, Dong Xing, Haoxi Huang, Wenhao Hu|2015|Chem.Commun.|51|10612|doi:10.1039/C5CC01979F
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.zdh829
title: Occurrence Download

description: A dataset containing 1190 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is USA.49_1",
 "OccurrenceStatus is Present",
 "TaxonKey is Pieridae"
 ]
}

 The dataset includes 1190 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0049766-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc11qwyl
title: CCDC 975320: Experimental Crystal Structure Determination

description: Related Article: George Rajendra Kumar, Pakkirisamy Thilagar|2014|Dalton Trans.|43|7200|doi:10.1039/C3DT53638F
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/cc11qwxk
title: CCDC 975319: Experimental Crystal Structure Determination

description: Related Article: George Rajendra Kumar, Pakkirisamy Thilagar|2014|Dalton Trans.|43|7200|doi:10.1039/C3DT53638F
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.nf5b9t
title: Occurrence Download

description: A dataset containing 3754 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is one of (ArtenFinder, iNaturalist Research-grade Observations, Biodiversitätsdatenbank Salzburg, INC PAS The Atlas of Mammals of Poland, Records of protected animals species in Ukraine, NABU|naturgucker, Materials to the mammal atlas of Ukraine, Records of protected animal, plant and fungi species in Ukraine)",
 "PublishingOrg is one of (2754e9c0-0e43-4f65-968a-6f16b9c378ce, 28eb1a3f-1c15-4a95-931a-4af90ecb574d, 7a070ba0-bafb-11d9-8e53-b8a03c50a862, f121e450-78ba-11d8-a19c-b8a03c50a862, ca2fd897-6108-4361-91f8-b39dc8d12d13, f43d0d02-84e6-468e-8832-a0906a10b4e9, bb646dff-a905-4403-a49b-6d378c2cf0d9)",
 "TaxonKey is Cricetus cricetus",
 "Year is greater than or equal to 1995"
 ]
}

 The dataset includes 3754 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0049767-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cczyrd1
title: CCDC 922324: Experimental Crystal Structure Determination

description: Related Article: Amit Adhikary, Javeed Ahmad Sheikh, Anita Dutt Konar, Sanjit Konar|2014|RSC Advances|4|12408|doi:10.1039/C3RA45928D
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/cc11rccj
title: CCDC 975767: Experimental Crystal Structure Determination

description: Related Article: Chun Zhang, Zhen Wang, Song Song, Xianggao Meng, Yan-Song Zheng, Xiang-Liang Yang, Hui-Bi Xu|2014|J.Org.Chem.|79|2729|doi:10.1021/jo402884a
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/cc11rcdk
title: CCDC 975768: Experimental Crystal Structure Determination

description: Related Article: Chun Zhang, Zhen Wang, Song Song, Xianggao Meng, Yan-Song Zheng, Xiang-Liang Yang, Hui-Bi Xu|2014|J.Org.Chem.|79|2729|doi:10.1021/jo402884a
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/cc106bsb
title: CCDC 929621: Experimental Crystal Structure Determination

description: Related Article: Srinivasulu Parshamoni, Suresh Sanda, Himanshu Sekhar Jena, Sanjit Konar|2014|Dalton Trans.|43|7191|doi:10.1039/C4DT00228H
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/cc11rhjt
title: CCDC 975896: Experimental Crystal Structure Determination

description: Related Article: H Nagarajaiah, Imtiyaz Ahmed M Khazi, Noor Shahina Begum|2015|J.Chem.Sci.(Bangalore,India)|127|467|doi:10.1007/s12039-015-0797-y
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/cc11rhmx
title: CCDC 975899: Experimental Crystal Structure Determination

description: Related Article: H Nagarajaiah, Imtiyaz Ahmed M Khazi, Noor Shahina Begum|2015|J.Chem.Sci.(Bangalore,India)|127|467|doi:10.1007/s12039-015-0797-y
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/cc11rcfl
title: CCDC 975769: Experimental Crystal Structure Determination

description: Related Article: Yang Gu, Xuebing Leng, Qilong Shen|2014|Nat.Commun.|5|5405|doi:10.1038/ncomms6405
description: Related Article: Yang Gu ,  Dalu Chang ,  Xuebing Leng ,  Yucheng Gu ,   Qilong Shen|2015|Organometallics|34|3065|doi:10.1021/acs.organomet.5b00350
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/cc11rcgm
title: CCDC 975770: Experimental Crystal Structure Determination

description: Related Article: Yang Gu ,  Dalu Chang ,  Xuebing Leng ,  Yucheng Gu ,   Qilong Shen|2015|Organometallics|34|3065|doi:10.1021/acs.organomet.5b00350
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/cc11r7bc
title: CCDC 975642: Experimental Crystal Structure Determination

description: Related Article: Naoyuki Toriumi, Atsuya Muranaka, Keiichi Hirano, Kengo Yoshida, Daisuke Hashizume, Masanobu Uchiyama|2014|Angew.Chem.,Int.Ed.|53|7814|doi:10.1002/anie.201404020
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/cczgpjm
title: CCDC 907851: Experimental Crystal Structure Determination

description: Related Article: N. Madusanka, M.D. Eddleston, M. Arhangelskis, W. Jones|2014|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|70|72|doi:10.1107/S2052520613033167
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: 10.13140/rg.2.2.30917.97767
title: Al-Sareeh Distrect Within Irbid Parks' distribution
DOI: 10.5517/cc11r9tx
title: CCDC 975719: Experimental Crystal Structure Determination

description: Related Article: N. Madusanka, M.D. Eddleston, M. Arhangelskis, W. Jones|2014|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|70|72|doi:10.1107/S2052520613033167
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/cc11r9vy
title: CCDC 975720: Experimental Crystal Structure Determination

description: Related Article: N. Madusanka, M.D. Eddleston, M. Arhangelskis, W. Jones|2014|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|70|72|doi:10.1107/S2052520613033167
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: 10.13140/rg.2.2.20799.21925
title: Reviewer certificate
DOI: 10.5517/cc11rchn
title: CCDC 975771: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rcjp
title: CCDC 975772: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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: 10.13140/rg.2.2.32648.12802
title: Lor (Käse)
DOI: 10.5517/cc11rckq
title: CCDC 975773: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rclr
title: CCDC 975774: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rcms
title: CCDC 975775: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rcnt
title: CCDC 975776: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rcpv
title: CCDC 975777: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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: 10.13140/rg.2.2.25310.55366
title: Appendix tables of the paper "Revisiting the geography and structure of Kazakhstan’s foreign trade during the 1990s-2010s."
DOI: 10.5517/cc11rcqw
title: CCDC 975778: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rcrx
title: CCDC 975779: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rcsy
title: CCDC 975780: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rctz
title: CCDC 975781: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rcv0
title: CCDC 975782: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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/cc11rcw1
title: CCDC 975783: Experimental Crystal Structure Determination

description: Related Article: Hong-Cai Zhou, Dawei Feng, Kecheng Wang|2015|U.S.Patents|||
description: Related Article: Dawei Feng, Kecheng Wang, Zhangwen Wei, Ying-Pin Chen, Cory M. Simon, Ravi Arvapally, Richard L. Martin, Mathieu Bosch, Tian-Fu Liu, Stephen Fordham, Daqiang Yuan, Mohammad A. Omary, Maciej Haranczyk, Berend Smit, Hong-Cai Zhou|2014|Nat.Commun.|5|5723|doi:10.1038/ncomms6723
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.