cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc3y99m
title: CCDC 117530: Experimental Crystal Structure Determination

description: Related Article: F.Jakle, R.Rulkens, G.Zech, D.A.Foucher, A.J.Lough, I.Manners|1998|Chem.-Eur.J.|4|2117|doi:10.1002/(SICI)1521-3765(19981102)4:11<2117::AID-CHEM2117>3.0.CO;2-E
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/cc3y9bn
title: CCDC 117531: Experimental Crystal Structure Determination

description: Related Article: F.Jakle, R.Rulkens, G.Zech, D.A.Foucher, A.J.Lough, I.Manners|1998|Chem.-Eur.J.|4|2117|doi:10.1002/(SICI)1521-3765(19981102)4:11<2117::AID-CHEM2117>3.0.CO;2-E
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/cc3dk34
title: CCDC 101435: Experimental Crystal Structure Determination

description: Related Article: M.Veith, S.Mathur, V.Huch, T.Decker|1998|Eur.J.Inorg.Chem.|1998|1327|doi:10.1002/(SICI)1099-0682(199809)1998:9<1327::AID-EJIC1327>3.0.CO;2-U
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/cc3y9cp
title: CCDC 117532: Experimental Crystal Structure Determination

description: Related Article: F.Jakle, R.Rulkens, G.Zech, D.A.Foucher, A.J.Lough, I.Manners|1998|Chem.-Eur.J.|4|2117|doi:10.1002/(SICI)1521-3765(19981102)4:11<2117::AID-CHEM2117>3.0.CO;2-E
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/cc3yjtc
title: CCDC 117763: Experimental Crystal Structure Determination

description: Related Article: M.Veith, S.Mathur, V.Huch, T.Decker|1998|Eur.J.Inorg.Chem.|1998|1327|doi:10.1002/(SICI)1099-0682(199809)1998:9<1327::AID-EJIC1327>3.0.CO;2-U
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/cc3yjvd
title: CCDC 117764: Experimental Crystal Structure Determination

description: Related Article: M.Veith, S.Mathur, V.Huch, T.Decker|1998|Eur.J.Inorg.Chem.|1998|1327|doi:10.1002/(SICI)1099-0682(199809)1998:9<1327::AID-EJIC1327>3.0.CO;2-U
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/cc3tdpz
title: CCDC 113791: Experimental Crystal Structure Determination

description: Related Article: T.Obitsu, K.Ohmori, Y.Ogawa, H.Hosomi, S.Ohba, S.Nishiyama, S.Yamamura|1998|Tetrahedron Lett.|39|7349|doi:10.1016/S0040-4039(98)01577-9
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/cc3vxb5
title: CCDC 115237: Experimental Crystal Structure Determination

description: Related Article: A.Afonso, S.B.Rosenblum, M.S.Puar, A.T.McPhail|1998|Tetrahedron Lett.|39|7431|doi:10.1016/S0040-4039(98)01648-7
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/cc3dcys
title: CCDC 101275: Experimental Crystal Structure Determination

description: Related Article: M.Murata, M.Kojima, A.Hioki, M.Miyagawa, M.Hirotsu, K.Nakajima, M.Kita, S.Kashino, Y.Yoshikawa|1998|Coord.Chem.Rev.|174|109|doi:10.1016/S0010-8545(97)00084-2
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/cc3wg9q
title: CCDC 115763: Experimental Crystal Structure Determination

description: Related Article: M.Murata, M.Kojima, A.Hioki, M.Miyagawa, M.Hirotsu, K.Nakajima, M.Kita, S.Kashino, Y.Yoshikawa|1998|Coord.Chem.Rev.|174|109|doi:10.1016/S0010-8545(97)00084-2
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/cc3wgbr
title: CCDC 115764: Experimental Crystal Structure Determination

description: Related Article: M.Murata, M.Kojima, A.Hioki, M.Miyagawa, M.Hirotsu, K.Nakajima, M.Kita, S.Kashino, Y.Yoshikawa|1998|Coord.Chem.Rev.|174|109|doi:10.1016/S0010-8545(97)00084-2
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/cc3wgcs
title: CCDC 115765: Experimental Crystal Structure Determination

description: Related Article: M.Murata, M.Kojima, A.Hioki, M.Miyagawa, M.Hirotsu, K.Nakajima, M.Kita, S.Kashino, Y.Yoshikawa|1998|Coord.Chem.Rev.|174|109|doi:10.1016/S0010-8545(97)00084-2
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/cc3cqtz
title: CCDC 100651: Experimental Crystal Structure Determination

description: Related Article: S.Yamada, N.Nunami, K.Hori|1998|Chem.Lett.|27|451|doi:10.1246/cl.1998.451
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/cc3wgdt
title: CCDC 115766: Experimental Crystal Structure Determination

description: Related Article: M.Murata, M.Kojima, A.Hioki, M.Miyagawa, M.Hirotsu, K.Nakajima, M.Kita, S.Kashino, Y.Yoshikawa|1998|Coord.Chem.Rev.|174|109|doi:10.1016/S0010-8545(97)00084-2
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/cc3d0l2
title: CCDC 100923: Experimental Crystal Structure Determination

description: Related Article: J.J.Byrne, P.Y.Chavant, M.-T.Averbuch-Pouchot, Y.Vallee|1998|C.R.Acad.Sci.,Ser.IIc:Chim.|1|75|doi:10.1016/S1251-8069(97)86264-1
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/cc3d970
title: CCDC 101191: Experimental Crystal Structure Determination

description: Related Article: M.H.Chisholm, W.E.Streib, D.B.Tiedtke, De-Dong Wu|1998|Chem.-Eur.J.|4|1470|doi:10.1002/(SICI)1521-3765(19980807)4:8<1470::AID-CHEM1470>3.0.CO;2-8
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/cc3djgg
title: CCDC 101415: Experimental Crystal Structure Determination

description: Related Article: C.L.Zilverentant, W.L.Driessen, J.G.Haasnoot, J.J.A.Kolnaar, J.Reedijk|1998|Inorg.Chim.Acta|282|257|doi:10.1016/S0020-1693(98)00239-4
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3dnch
title: CCDC 101536: Experimental Crystal Structure Determination

description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, D.L.Davies, S.Garratt, J.Fawcett, D.R.Russell, S.Ghosh|1998|Angew.Chem.,Int.Ed.|37|3298|doi:10.1002/(SICI)1521-3773(19981217)37:23<3298::AID-ANIE3298>3.0.CO;2-O
description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, J.Panda, S.Ghosh|2000|J.Org.Chem.|65|482|doi:10.1021/jo991392z
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/cc3dndj
title: CCDC 101537: Experimental Crystal Structure Determination

description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, D.L.Davies, S.Garratt, J.Fawcett, D.R.Russell, S.Ghosh|1998|Angew.Chem.,Int.Ed.|37|3298|doi:10.1002/(SICI)1521-3773(19981217)37:23<3298::AID-ANIE3298>3.0.CO;2-O
description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, J.Panda, S.Ghosh|2000|J.Org.Chem.|65|482|doi:10.1021/jo991392z
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/cc3dnfk
title: CCDC 101538: Experimental Crystal Structure Determination

description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, D.L.Davies, S.Garratt, J.Fawcett, D.R.Russell, S.Ghosh|1998|Angew.Chem.,Int.Ed.|37|3298|doi:10.1002/(SICI)1521-3773(19981217)37:23<3298::AID-ANIE3298>3.0.CO;2-O
description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, J.Panda, S.Ghosh|2000|J.Org.Chem.|65|482|doi:10.1021/jo991392z
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/cc3dngl
title: CCDC 101539: Experimental Crystal Structure Determination

description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, D.L.Davies, S.Garratt, J.Fawcett, D.R.Russell, S.Ghosh|1998|Angew.Chem.,Int.Ed.|37|3298|doi:10.1002/(SICI)1521-3773(19981217)37:23<3298::AID-ANIE3298>3.0.CO;2-O
description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, J.Panda, S.Ghosh|2000|J.Org.Chem.|65|482|doi:10.1021/jo991392z
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/cc3dnhm
title: CCDC 101540: Experimental Crystal Structure Determination

description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, D.L.Davies, S.Garratt, J.Fawcett, D.R.Russell, S.Ghosh|1998|Angew.Chem.,Int.Ed.|37|3298|doi:10.1002/(SICI)1521-3773(19981217)37:23<3298::AID-ANIE3298>3.0.CO;2-O
description: Related Article: D.J.Holt, W.D.Barker, P.R.Jenkins, J.Panda, S.Ghosh|2000|J.Org.Chem.|65|482|doi:10.1021/jo991392z
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/cc3yqj8
title: CCDC 117940: Experimental Crystal Structure Determination

description: Related Article: D.A.McMorran, P.J.Steel|1998|Angew.Chem.,Int.Ed.|37|3295|doi:10.1002/(SICI)1521-3773(19981217)37:23<3295::AID-ANIE3295>3.0.CO;2-5
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/cc3dsfp
title: CCDC 101662: Experimental Crystal Structure Determination

description: Related Article: J.D.Martin, B.R.Leafblad|1998|Angew.Chem.,Int.Ed.|37|3318|doi:10.1002/(SICI)1521-3773(19981217)37:23<3318::AID-ANIE3318>3.3.CO;2-P
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/cc3dwhv
title: CCDC 101757: Experimental Crystal Structure Determination

description: Related Article: G.W.V.Cave, A.J.Hallet, W.Errington, J.P.Rourke|1998|Angew.Chem.,Int.Ed.|37|3270|doi:10.1002/(SICI)1521-3773(19981217)37:23<3270::AID-ANIE3270>3.0.CO;2-2
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/cc3fkpr
title: CCDC 102414: Experimental Crystal Structure Determination

description: Related Article: M.Frey, S.G.Harris, J.M.Holmes, D.A.Nation, S.Parsons, P.A.Tasker, S.J.Teat, R.E.P.Winpenny|1998|Angew.Chem.,Int.Ed.|37|3246|doi:10.1002/(SICI)1521-3773(19981217)37:23<3245::AID-ANIE3245>3.0.CO;2-F
description: Related Article: M.Frey, S.G.Harris, J.M.Holmes, D.A.Nation, S.Parsons, P.A.Tasker, R.E.P.Winpenny|2000|Chem.-Eur.J.|6|1407|doi:10.1002/(SICI)1521-3765(20000417)6:8<1407::AID-CHEM1407>3.3.CO;2-B
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/cc3fkqs
title: CCDC 102415: Experimental Crystal Structure Determination

description: Related Article: M.Frey, S.G.Harris, J.M.Holmes, D.A.Nation, S.Parsons, P.A.Tasker, S.J.Teat, R.E.P.Winpenny|1998|Angew.Chem.,Int.Ed.|37|3246|doi:10.1002/(SICI)1521-3773(19981217)37:23<3245::AID-ANIE3245>3.0.CO;2-F
description: Related Article: M.Frey, S.G.Harris, J.M.Holmes, D.A.Nation, S.Parsons, P.A.Tasker, R.E.P.Winpenny|2000|Chem.-Eur.J.|6|1407|doi:10.1002/(SICI)1521-3765(20000417)6:8<1407::AID-CHEM1407>3.3.CO;2-B
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/cc3fkrt
title: CCDC 102416: Experimental Crystal Structure Determination

description: Related Article: M.Frey, S.G.Harris, J.M.Holmes, D.A.Nation, S.Parsons, P.A.Tasker, S.J.Teat, R.E.P.Winpenny|1998|Angew.Chem.,Int.Ed.|37|3246|doi:10.1002/(SICI)1521-3773(19981217)37:23<3245::AID-ANIE3245>3.0.CO;2-F
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/cc40xtv
title: CCDC 120057: Experimental Crystal Structure Determination

description: Related Article: T.Nishinaga, T.Kawamura, K.Komatsu|1998|Chem.Commun.||2263|doi:10.1039/a806606j
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/cc87l35
title: CCDC 245616: Experimental Crystal Structure Determination

description: Related Article: T.Nishinaga, T.Kawamura, K.Komatsu|1998|Chem.Commun.||2263|doi:10.1039/a806606j
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/cc3x5x2
title: CCDC 116464: Experimental Crystal Structure Determination

description: Related Article: M. Meiyappan, M. Bagieu-Beucher, Y. Le Fur|1999|Z.Kristallogr.-New Cryst.Struct.|214|201|doi:10.1515/ncrs-1999-0228
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/cc3x5z4
title: CCDC 116466: Experimental Crystal Structure Determination

description: Related Article: E.H. Alilou, A. El Hallaoui, E.H. El Ghadraoui, M. Pierrot|1999|Z.Kristallogr.-New Cryst.Struct.|214|213|doi:10.1515/ncrs-1999-0234
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/cc3x606
title: CCDC 116467: Experimental Crystal Structure Determination

description: Related Article: M. Shamsudin, M.A. Affan, R. Hitam, B.M. Yamin, A.M.A. Boshaala, H.-K. Fun, A.R. Ibrahim|1999|Z.Kristallogr.-New Cryst.Struct.|214|215|doi:10.1515/ncrs-1999-0235
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/cc3x617
title: CCDC 116468: Experimental Crystal Structure Determination

description: Related Article: J. Podlaha, I. Cisarova, P. Holy, J. Zavada|1999|Z.Kristallogr.-New Cryst.Struct.|214|183|doi:10.1515/ncrs-1999-0221
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/cc3x628
title: CCDC 116469: Experimental Crystal Structure Determination

description: Related Article: J. Podlaha, I. Cisarova, P. Holy, J. Zavada|1999|Z.Kristallogr.-New Cryst.Struct.|214|185|doi:10.1515/ncrs-1999-0222
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/cc3x639
title: CCDC 116470: Experimental Crystal Structure Determination

description: Related Article: A. Ullmann, G. Zahn, J. Schnaubelt, H.-U. Reissig|1999|Z.Kristallogr.-New Cryst.Struct.|214|221|doi:10.1515/ncrs-1999-0237
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.