cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.3535/zh4-h8h-slj
title: Echinops hebelepis DC.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnpwpw
title: CCDC 616859: Experimental Crystal Structure Determination

description: Related Article: S.Kappaun, S.Eder, S.Sax, R.Saf, K.Mereiter, E.J.W.List, C.Slugovc|2006|J.Mater.Chem.|16|4389|doi:10.1039/b611738d
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.2.2.13635.71208
title: EMSA Assay data
DOI: 10.3535/4ay-t6y-bek
title: Sphagnum subnitens Russow & Warnst.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/pfc-8cp-9b5
title: Carlina comosa (Spreng.) Greuter

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/wab-0a6-d0d
title: Eugenia speciosa Cambess.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnpwqx
title: CCDC 616860: Experimental Crystal Structure Determination

description: Related Article: S.Kappaun, S.Eder, S.Sax, R.Saf, K.Mereiter, E.J.W.List, C.Slugovc|2006|J.Mater.Chem.|16|4389|doi:10.1039/b611738d
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/ccnt2p6
title: CCDC 619928: Experimental Crystal Structure Determination

description: Related Article: D.Berner, C.Klein, Md.K.Nazeeruddin, F.De Angelis, M.Castellani, P.Bugnon, R.Scopelliti, L.Zuppiroli, M.Graetzel|2006|J.Mater.Chem.|16|4468|doi:10.1039/b610880f
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: 10.3535/9ed-6rw-8jv
title: Haplopappus prunelloides (Poepp. ex Less.) Poepp. ex DC.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/krz-vfq-h5h
title: Podalyria biflora (L.) Lam.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/prj-lzg-bqz
title: Psidium guineense Sw.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccn8bw3
title: CCDC 603845: Experimental Crystal Structure Determination

description: Related Article: W.Haiss, Changsheng Wang, I.Grace, A.S.Batsanov, D.J.Schiffrin, S.J.Higgins, M.R.Bryce, C.J.Lambert, R.J.Nichols|2006|Nat.Mater|5|995|doi:10.1038/nmat1781
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.2.2.27791.48800
title: Properties
DOI: 10.3535/8g1-lf7-vqb
title: Rumex obtusifolius L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/py6-fk6-yh3
title: Eugenia caryophyllata Thunb.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/cc87yr5
title: CCDC 245977: Experimental Crystal Structure Determination

description: Related Article: Yan-Qing Xu, You-Fu Zhou, Da-Qiang Yuan, Mao-Chun Hong|2006|Jiegou Huaxue|25|704|
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/ccn8bx4
title: CCDC 603846: Experimental Crystal Structure Determination

description: Related Article: W.Haiss, Changsheng Wang, I.Grace, A.S.Batsanov, D.J.Schiffrin, S.J.Higgins, M.R.Bryce, C.J.Lambert, R.J.Nichols|2006|Nat.Mater|5|995|doi:10.1038/nmat1781
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: 10.3535/5c4-3ef-ks2
title: Guazuma ulmifolia Lam.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/lg6-pav-rj9
title: Myrciaria delicatula (DC.) O. Berg

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/q85-x3s-3gc
title: Waltheria L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/cc9xc7s
title: CCDC 295375: Experimental Crystal Structure Determination

description: Related Article: R.Kawajiri, T.Okubo, T.Mitani|2006|Polyhedron|25|2650|doi:10.1016/j.poly.2006.03.023
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/ccn8qn8
title: CCDC 604210: Experimental Crystal Structure Determination

description: Related Article: Wei Li, Chang-Hong Li, Ying-Qun Yang, Zhi-Min Chen, Dai-Zhi Kuang, Chun-Hua Zhang, Yun-Fei Kang|2006|Jiegou Huaxue|25|878|
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: 10.3535/eet-pb3-2kb
title: Campomanesia sessiliflora (O. Berg) Mattos

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/qx0-2hj-hx7
title: Echinops kotschyi Boiss.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/swy-t2p-x9d
title: Waltheria petiolata K. Schum.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccn9dp0
title: CCDC 604862: Experimental Crystal Structure Determination

description: Related Article: S.J.Dalgarno, N.P.Power, J.Antesberger, R.M.McKinlay, J.L.Atwood|2006|Chem.Commun.||3803|doi:10.1039/b605147b
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: 10.3535/0jp-q09-57g
title: Waltheria indica L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/yk8-5ss-knw
title: Myrrhinium atropurpureum Schott

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccn9dq1
title: CCDC 604863: Experimental Crystal Structure Determination

description: Related Article: S.J.Dalgarno, N.P.Power, J.Antesberger, R.M.McKinlay, J.L.Atwood|2006|Chem.Commun.||3803|doi:10.1039/b605147b
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/ccn9dr2
title: CCDC 604864: Experimental Crystal Structure Determination

description: Related Article: S.J.Dalgarno, N.P.Power, J.Antesberger, R.M.McKinlay, J.L.Atwood|2006|Chem.Commun.||3803|doi:10.1039/b605147b
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: 10.3535/2ww-qc2-tnk
title: Lavatera cretica L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/ksb-2tl-4h2
title: Waltheria indica L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/s2v-dzy-3gg
title: Helicteres muscosa Mart.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccn9ds3
title: CCDC 604865: Experimental Crystal Structure Determination

description: Related Article: S.J.Dalgarno, N.P.Power, J.Antesberger, R.M.McKinlay, J.L.Atwood|2006|Chem.Commun.||3803|doi:10.1039/b605147b
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: 10.3535/gdj-msr-g80
title: Epilasia hemilasia (Bunge) C. B. Clarke

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/k7s-v3t-vnq
title: Waltheria erioclada DC.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/km8-xvl-yvb
title: Waltheria bracteosa A. St.-Hil. & Naudin

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnx7g7
title: CCDC 622959: Experimental Crystal Structure Determination

description: Related Article: A.M.Montana, S.Ponzano|2006|Tetrahedron Lett.|47|8299|doi:10.1016/j.tetlet.2006.09.103
description: Related Article: A.M.Montana, S.Ponzano, G.Kociok-Kohn, M.Font-Bardia, X.Solans|2007|Eur.J.Org.Chem.|2007|4383|doi:10.1002/ejoc.200700172
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/ccnx7h8
title: CCDC 622960: Experimental Crystal Structure Determination

description: Related Article: A.M.Montana, S.Ponzano|2006|Tetrahedron Lett.|47|8299|doi:10.1016/j.tetlet.2006.09.103
description: Related Article: A.M.Montana, S.Ponzano, G.Kociok-Kohn, M.Font-Bardia, X.Solans|2007|Eur.J.Org.Chem.|2007|4383|doi:10.1002/ejoc.200700172
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.2.2.10778.34240
title: Indicadores Hospitalarios. Región de Murcia. 2015
DOI: 10.13140/rg.2.2.31330.43207
title: TAPE 13. Prepared for Analysis
DOI: 10.3535/07f-mwt-1ar
title: Waltheria polyantha K. Schum.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/6q1-l61-59r
title: Guazuma ulmifolia Lam.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/kh6-8a3-ag6
title: Psidium densicomum Mart. ex DC.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnmxcj
title: CCDC 614958: Experimental Crystal Structure Determination

description: Related Article: K.Singh, S.Singh|2006|Tetrahedron Lett.|47|8143|doi:10.1016/j.tetlet.2006.09.039
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/ccnx7kb
title: CCDC 622962: Experimental Crystal Structure Determination

description: Related Article: A.M.Montana, S.Ponzano|2006|Tetrahedron Lett.|47|8299|doi:10.1016/j.tetlet.2006.09.103
description: Related Article: A.M.Montana, S.Ponzano, G.Kociok-Kohn, M.Font-Bardia, X.Solans|2007|Eur.J.Org.Chem.|2007|4383|doi:10.1002/ejoc.200700172
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.2.2.25038.97606
title: drEEM tutorial dataset
DOI: 10.3535/9l6-483-wdl
title: Salix purpurea L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/v36-trn-e0k
title: Melochia villosa (Mill.) Fawc. & Rendle

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnstz6
title: CCDC 619689: Experimental Crystal Structure Determination

description: Related Article: M.Tominaga, T.Hatano, M.Uchiyama, H.Masu, H.Kagechika, I.Azumaya|2006|Tetrahedron Lett.|47|9369|doi:10.1016/j.tetlet.2006.10.062
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: 10.3535/79r-x0q-cpl
title: Guazuma ulmifolia Lam.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/l75-h40-a8c
title: Eugenia sulcata Spring ex Mart.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/w07-ns5-vzz
title: Eugenia sprengelii DC.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnc268
title: CCDC 606459: Experimental Crystal Structure Determination

description: Related Article: B.B.Shingate, B.G.Hazra, V.S.Pore, R.G.Gonnade, M.M.Bhadbhade|2006|Tetrahedron Lett.|47|9343|doi:10.1016/j.tetlet.2006.10.116
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/ccnsv08
title: CCDC 619690: Experimental Crystal Structure Determination

description: Related Article: M.Tominaga, T.Hatano, M.Uchiyama, H.Masu, H.Kagechika, I.Azumaya|2006|Tetrahedron Lett.|47|9369|doi:10.1016/j.tetlet.2006.10.062
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.2.2.28761.42088
title: Mumps Virus Sequences-SH and HN
DOI: 10.3535/kwk-dsj-3rb
title: Echinops haussknechtii Boiss.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/pd4-ctx-nax
title: Eugenia brasiliensis Lam.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/yx4-m37-ebx
title: Dampiera purpurea R. Br.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnqq57
title: CCDC 617649: Experimental Crystal Structure Determination

description: Related Article: V.Nair, K.G.Abhilash, E.Suresh|2006|Tetrahedron Lett.|47|9329|doi:10.1016/j.tetlet.2006.10.115
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: 10.3535/gxx-bsy-nr5
title: Psidium australe Cambess.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/jlp-kqz-sk2
title: Helicteres sacarolha A. Juss.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/cc9ydby
title: CCDC 296370: Experimental Crystal Structure Determination

description: Related Article: K.Sako, Y.Mase, Y.Kato, T.Iwanaga, T.Shinmyozu, H.Takemura, M.Ito, K.Sasaki, H.Tatemitsu|2006|Tetrahedron Lett.|47|9151|doi:10.1016/j.tetlet.2006.10.001
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/ccnx26t
title: CCDC 622796: Experimental Crystal Structure Determination

description: Related Article: N.M.Evdokimov, A.S.Kireev, A.A.Yakovenko, M.Yu.Antipin, I.V.Magedov, A.Kornienko|2006|Tetrahedron Lett.|47|9309|doi:10.1016/j.tetlet.2006.10.110
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: 10.3535/0ps-b39-4rr
title: Helicteres ovata Lam.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/prq-5kx-qdb
title: Eugenia lambertiana DC.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/t5w-ql1-2n7
title: Gymnostephium corymbosum (Turcz.) Harv.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/ysv-cqs-6as
title: Rumex obtusifolius L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnqgh9
title: CCDC 617411: Experimental Crystal Structure Determination

description: Related Article: B.Groetzl, S.Handa, J.R.Malpass|2006|Tetrahedron Lett.|47|9147|doi:10.1016/j.tetlet.2006.10.022
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/ccnsj31
title: CCDC 619383: Experimental Crystal Structure Determination

description: Related Article: I.Kanizsai, Z.Szakonyi, R.Sillanpaa, F.Fulop|2006|Tetrahedron Lett.|47|9113|doi:10.1016/j.tetlet.2006.10.069
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: 10.3535/dbt-rbb-6fj
title: Herrania mariae (Mart.) Decne. ex Goudot

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/tbd-lv4-act
title: Helicteres pilgeri R. E. Fr.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnsj42
title: CCDC 619384: Experimental Crystal Structure Determination

description: Related Article: I.Kanizsai, Z.Szakonyi, R.Sillanpaa, F.Fulop|2006|Tetrahedron Lett.|47|9113|doi:10.1016/j.tetlet.2006.10.069
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: 10.3535/8zx-e41-x8n
title: Eugenia brasiliensis Lam.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/q3h-61q-ly9
title: Helicteres sacarolha A. Juss.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/ykf-b02-fg6
title: Salix purpurea L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/av2-h0w-fnw
title: Myrciaria floribunda (H. West ex Willd.) O. Berg

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/whq-645-gt4
title: Waltheria communis A. St.-Hil.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/xds-cnt-ndf
title: Eugenia cerasiflora Miq.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnq66r
title: CCDC 617154: Experimental Crystal Structure Determination

description: Related Article: H.Takemura, T.Iwanaga, T.Shinmyozu|2006|Tetrahedron Lett.|47|8989|doi:10.1016/j.tetlet.2006.09.166
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.