cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc949g5
title: CCDC 272256: Experimental Crystal Structure Determination

description: Related Article: Michael B. Hursthouse, Simon J. Coles|2004|University of Southampton, Crystal Structure Report Archive||147|doi:10.5258/ecrystals/147
description: Related Article: S.Besli|2005|Inorg.Chem.Commun.|8|449|doi:10.1016/j.inoche.2005.02.009
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: 10.25549/inscriptifact-ouc110800766
title: Statue of queen Sobekneferu, Louvre E 27135

description: [Text Description:] Torso of the queen with decorative carvings representing clothing and a necklace. ❧ [Text or Publication Number Note:] Louvre E 27135 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite statue fragment. ❧ [Physical Object Note:] Only the torso remains, much of the back is missing.
DOI: 10.25549/inscriptifact-ouc110800784
title: Statue of queen Sobekneferu, Louvre E 27135

description: [Text Description:] Torso of the queen with decorative carvings representing clothing and a necklace. ❧ [Text or Publication Number Note:] Louvre E 27135 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite statue fragment. ❧ [Physical Object Note:] Only the torso remains, much of the back is missing.
DOI: 10.5517/ccpjqgc
title: CCDC 641683: Experimental Crystal Structure Determination

description: Related Article: A. Uslu, M. Odlyha, A. Kilic, R.A. Shaw, David B. Davies, Mark E. Light, Susanne. L. Huth, Simon J. Coles,J.S. Rutherford, Michael B.Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||301|doi:10.5258/ecrystals/301
description: Related Article: S.J.Coles, D.B.Davies, M.B.Hursthouse, S.L.Huth, A.Kilic, M.E.Light, M.Odlyha, J.S.Rutherford, R.A.Shaw, A.Uslu|2007|Chem.Cent.J.|1|20|doi:10.1186/1752-153X-1-20
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/ccpnbn9
title: CCDC 645161: Experimental Crystal Structure Determination

description: Related Article: Simon Aldridge, Louise Male, Michael B.Hursthouse|2006|University of Southampton, Crystal Structure Report Archive||329|doi:10.5258/ecrystals/329
description: Related Article: J.K.Day, C.Bresner, I.A.Fallis, Li-Ling Ooi, D.J.Watkin, S.J.Coles, L.Male, M.B.Hursthouse, S.Aldridge|2007|Dalton Trans.||3486|doi:10.1039/b709042k
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/ccpjqhd
title: CCDC 641684: Experimental Crystal Structure Determination

description: Related Article: A. Uslu, M. Odlyha, A. Kilic, R.A. Shaw, David B. Davies, Mark E. Light, Susanne. L. Huth, Simon J. Coles,J.S. Rutherford, Michael B.Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||299|doi:10.5258/ecrystals/299
description: Related Article: S.J.Coles, D.B.Davies, M.B.Hursthouse, S.L.Huth, A.Kilic, M.E.Light, M.Odlyha, J.S.Rutherford, R.A.Shaw, A.Uslu|2007|Chem.Cent.J.|1|20|doi:10.1186/1752-153X-1-20
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/ccpjqjf
title: CCDC 641685: Experimental Crystal Structure Determination

description: Related Article: A. Uslu, M. Odlyha, A. Kilic, R.A. Shaw, David B. Davies, Mark E. Light, Susanne. L. Huth, Simon J. Coles,J.S. Rutherford, Michael B.Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||300|doi:10.5258/ecrystals/300
description: Related Article: S.J.Coles, D.B.Davies, M.B.Hursthouse, S.L.Huth, A.Kilic, M.E.Light, M.Odlyha, J.S.Rutherford, R.A.Shaw, A.Uslu|2007|Chem.Cent.J.|1|20|doi:10.1186/1752-153X-1-20
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: 10.25549/inscriptifact-ouc110800780
title: Statue of queen Sobekneferu, Louvre E 27135

description: [Text Description:] Torso of the queen with decorative carvings representing clothing and a necklace. ❧ [Text or Publication Number Note:] Louvre E 27135 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite statue fragment. ❧ [Physical Object Note:] Only the torso remains, much of the back is missing.
DOI: 10.5517/ccpy91y
title: CCDC 653760: Experimental Crystal Structure Determination

description: Related Article: Simon Aldridge,Louise Male,Michael B.Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||339|doi:10.5258/ecrystals/339
description: Related Article: N.D.Coombs, S.Aldridge, A.L.Thompson, L.Male, M.B.Hursthouse|2007|Anal.Sci.:X-Ray Struct.Anal.Online|23|x213|doi:10.2116/analscix.23.x213
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/ccq1xwj
title: CCDC 657258: Experimental Crystal Structure Determination

description: Related Article: N. Tomkinson,  Simon J. Coles,  Michael B.Hursthouse,  Simon J. Coles|2007|University of Southampton, Crystal Structure Report Archive||307|doi:10.5258/ecrystals/307
description: Related Article: G.Evans, T.J.K.Gibbs, R.L.Jenkins, S.J.Coles, M.B.Hursthouse, J.A.Platts, N.C.O.Tomkinson|2008|Angew.Chem.,Int.Ed.|47|2820|doi:10.1002/anie.200705539
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: 10.25549/inscriptifact-ouc110800765
title: Statue of queen Sobekneferu, Louvre E 27135

description: [Text Description:] Torso of the queen with decorative carvings representing clothing and a necklace. ❧ [Text or Publication Number Note:] Louvre E 27135 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite statue fragment. ❧ [Physical Object Note:] Only the torso remains, much of the back is missing.
DOI: 10.5517/ccqchj2
title: CCDC 666454: Experimental Crystal Structure Determination

description: Related Article: D.W. Knight, Simon J. Coles, Michael B.Hursthouse, Simon J. Coles|2007|University of Southampton, Crystal Structure Report Archive||296|doi:10.5258/ecrystals/296
description: Related Article: D.Dunford, M.Guyader, S.Jones, D.W.Knight, M.B.Hursthouse, S.J.Coles|2008|Tetrahedron Lett.|49|2240|doi:10.1016/j.tetlet.2008.02.032
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/ccqsgkh
title: CCDC 678917: Experimental Crystal Structure Determination

description: Related Article: D Berry, N Blagden, Simon J. Coles, Michael B. Hursthouse,Simon J. Coles|2007|University of Southampton, Crystal Structure Report Archive||295|doi:10.5258/ecrystals/295
description: Related Article: D.J.Berry, C.C.Seaton, W.Clegg, R.W.Harrington, S.J.Coles, P.N.Horton, M.B.Hursthouse, R.Storey, W.Jones, T.Friscic, N.Blagden|2008|Cryst.Growth Des.|8|1697|doi:10.1021/cg800035w
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/ccr5jl0
title: CCDC 690512: Experimental Crystal Structure Determination

description: Related Article: Francesco Devillanova, Carla Aragoni, Massimiliano Arca,Susanne L. Huth, Michael B. Hursthouse|2006|University of Southampton, Crystal Structure Report Archive||255|doi:10.5258/ecrystals/255
description: Related Article: M.C.Aragoni, M.Arca, F.A.Devillanova, M.B.Hursthouse, S.L.Huth, F.Isaia, V.Lippolis, A.Mancini, G.Verani|2008|Eur.J.Inorg.Chem.|2008|3921|doi:10.1002/ejic.200800287
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/ccr5jm1
title: CCDC 690513: Experimental Crystal Structure Determination

description: Related Article: Francesco Devillanova, Carla Aragoni, Massimiliano Arca,Susanne L. Huth, Michael B. Hursthouse|2006|University of Southampton, Crystal Structure Report Archive||254|doi:10.5258/ecrystals/254
description: Related Article: M.C.Aragoni, M.Arca, F.A.Devillanova, M.B.Hursthouse, S.L.Huth, F.Isaia, V.Lippolis, A.Mancini, G.Verani|2008|Eur.J.Inorg.Chem.|2008|3921|doi:10.1002/ejic.200800287
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: 10.25549/inscriptifact-ouc110800755
title: Statue of queen Sobekneferu, Louvre E 27135

description: [Text Description:] Torso of the queen with decorative carvings representing clothing and a necklace. ❧ [Text or Publication Number Note:] Louvre E 27135 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite statue fragment. ❧ [Physical Object Note:] Only the torso remains, much of the back is missing.
DOI: 10.25549/inscriptifact-ouc110800776
title: Statue of queen Sobekneferu, Louvre E 27135

description: [Text Description:] Torso of the queen with decorative carvings representing clothing and a necklace. ❧ [Text or Publication Number Note:] Louvre E 27135 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite statue fragment. ❧ [Physical Object Note:] Only the torso remains, much of the back is missing.
DOI: 10.5517/ccr2h6h
title: CCDC 687586: Experimental Crystal Structure Determination

description: Related Article: Ann E. Bingham, David S. Hughes, Terence L.Threlfall, Michael B. Hursthouse|2004|University of Southampton, Crystal Structure Report Archive||401|doi:10.5258/ecrystals/401
description: Related Article: T.Gelbrich, D.S.Hughes, M.B.Hursthouse, T.L.Threlfall|2008|CrystEngComm|10|1328|doi:10.1039/b807898j
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/ccr2h7j
title: CCDC 687587: Experimental Crystal Structure Determination

description: Related Article: Ann L. Bingham, Thomas Gelbrich, Terence L.Threlfall, Michael B. Hursthouse|2004|University of Southampton, Crystal Structure Report Archive||397|doi:10.5258/ecrystals/397
description: Related Article: T.Gelbrich, D.S.Hughes, M.B.Hursthouse, T.L.Threlfall|2008|CrystEngComm|10|1328|doi:10.1039/b807898j
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/ccr2h8k
title: CCDC 687588: Experimental Crystal Structure Determination

description: Related Article: Ann L. Bingham, David S. Hughes, Terence L.Threlfall, Michael B. Hursthouse|2004|University of Southampton, Crystal Structure Report Archive||398|doi:10.5258/ecrystals/398
description: Related Article: T.Gelbrich, D.S.Hughes, M.B.Hursthouse, T.L.Threlfall|2008|CrystEngComm|10|1328|doi:10.1039/b807898j
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/ccr2h9l
title: CCDC 687589: Experimental Crystal Structure Determination

description: Related Article: Ann E. Bingham, David S. Hughes, Terence L.Threlfall, Michael B. Hursthouse|2004|University of Southampton, Crystal Structure Report Archive||399|doi:10.5258/ecrystals/399
description: Related Article: T.Gelbrich, D.S.Hughes, M.B.Hursthouse, T.L.Threlfall|2008|CrystEngComm|10|1328|doi:10.1039/b807898j
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: 10.25549/inscriptifact-ouc110800750
title: Statue of queen Sobekneferu, Louvre E 27135

description: [Text Description:] Torso of the queen with decorative carvings representing clothing and a necklace. ❧ [Text or Publication Number Note:] Louvre E 27135 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite statue fragment. ❧ [Physical Object Note:] Only the torso remains, much of the back is missing.
DOI: 10.25549/inscriptifact-ouc110800777
title: Statue of queen Sobekneferu, Louvre E 27135

description: [Text Description:] Torso of the queen with decorative carvings representing clothing and a necklace. ❧ [Text or Publication Number Note:] Louvre E 27135 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite statue fragment. ❧ [Physical Object Note:] Only the torso remains, much of the back is missing.
DOI: 10.5517/ccrd3z6
title: CCDC 696848: Experimental Crystal Structure Determination

description: Related Article: N. Tomkinson, Simon J. Coles, Michael B. Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||308|doi:10.5258/ecrystals/308
description: Related Article: J.B.Brazier, G.Evans, T.J.K.Gibbs, S.J.Coles, M.B.Hursthouse, J.A.Platts, N.C.O.Tomkinson|2009|Org.Lett.|11|133|doi:10.1021/ol802512y
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/ccs4d6h
title: CCDC 719206: Experimental Crystal Structure Determination

description: Related Article: John Spencer, Louise Male, Michael B.Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||348|doi:10.5258/ecrystals/348
description: Related Article: J.Spencer, B.Z.Chowdhry, S.Hamid, A.P.Mendham, L.Male, S.J.Coles, M.B.Hursthouse|2010|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|66|o71|doi:10.1107/S0108270109054134
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/ccs4d8k
title: CCDC 719208: Experimental Crystal Structure Determination

description: Related Article: John Spencer, Louise Male, Michael B.Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||351|doi:10.5258/ecrystals/351
description: Related Article: J.Spencer, B.Z.Chowdhry, S.Hamid, A.P.Mendham, L.Male, S.J.Coles, M.B.Hursthouse|2010|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|66|o71|doi:10.1107/S0108270109054134
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/ccs8wkg
title: CCDC 723526: Experimental Crystal Structure Determination

description: Related Article: P.J. Skabara, Simon J. Coles, Michael B.Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||342|doi:10.5258/ecrystals/342
description: Related Article: A.L.Kanibolotsky, J.C.Forgie, G.J.McEntee, M.M.A.Talpur, P.J.Skabara, T.D.J.Westgate, J.J.W.McDouall, M.Auinger, S.J.Coles, M.B.Hursthouse|2009|Chem.-Eur.J.|15|11581|doi:10.1002/chem.200900656
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/cct0j5h
title: CCDC 745276: Experimental Crystal Structure Determination

description: Related Article: Richard A Stephenson, Adrian Dobbs, Michael B. Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||388|doi:10.5258/ecrystals/388
description: Related Article: A.P.Dobbs, S.J.J.Guesne, R.J.Parker, J.Skidmore, R.A.Stephenson, M.B.Hursthouse|2010|Org.Biomol.Chem.|8|1064|doi:10.1039/b915797b
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/cct4bqz
title: CCDC 748951: Experimental Crystal Structure Determination

description: Related Article: F. H. Fry, Louise Male, Michael B. Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||332|doi:10.5258/ecrystals/332
description: Related Article: A.P.Dobbs, S.J.J.Guesne, R.J.Parker, J.Skidmore, R.A.Stephenson, M.B.Hursthouse|2010|Org.Biomol.Chem.|8|1064|doi:10.1039/b915797b
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: 10.25549/inscriptifact-ouc110799274
title: Head of Senusret III, Louvre E 25370

description: [Text Description:] Small head of Senusret III, uninscribed. ❧ [Text or Publication Number Note:] Louvre E 25370 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite figurine fragment. ❧ [Physical Object Note:] Only the head of the figurine remains, much damaged.
DOI: 10.25549/inscriptifact-ouc110800740
title: Statue of queen Sobekneferu, Louvre E 27135

description: [Text Description:] Torso of the queen with decorative carvings representing clothing and a necklace. ❧ [Text or Publication Number Note:] Louvre E 27135 ❧ [Medium:] Stone ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Quartzite statue fragment. ❧ [Physical Object Note:] Only the torso remains, much of the back is missing.
DOI: 10.5517/ccsr27t
title: CCDC 737156: Experimental Crystal Structure Determination

description: Related Article: A. Kilic, S Besli, Simon J. Coles, Michael B. Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||324|doi:10.5258/ecrystals/324
description: Related Article: A.Uslu, S.J.Coles, D.B.Davies, M.Esen, M.B.Hursthouse, A.Kilic|2010|Inorg.Chim.Acta|363|3506|doi:10.1016/j.ica.2010.07.005
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/cctnyw8
title: CCDC 764921: Experimental Crystal Structure Determination

description: Related Article: Michael A. Beckett, Peter N. Horton, Michael B. Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||427|doi:10.5258/ecrystals/427
description: Related Article: M.A.Beckett, P.N.Horton, M.B.Hursthouse, D.A.Knox, J.L.Timmis|2010|Dalton Trans.|39|3944|doi:10.1039/b927072h
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/ccsr2cy
title: CCDC 737160: Experimental Crystal Structure Determination

description: Related Article: A. Kilic, S Besli, Simon J. Coles, Michael B. Hursthouse|2007|University of Southampton, Crystal Structure Report Archive||318|doi:10.5258/ecrystals/318
description: Related Article: A.Uslu, S.J.Coles, D.B.Davies, M.Esen, M.B.Hursthouse, A.Kilic|2010|Inorg.Chim.Acta|363|3506|doi:10.1016/j.ica.2010.07.005
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.