cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1kv39t
title: CCDC 1455056: Experimental Crystal Structure Determination

description: Related Article: L. Cuesta-Aluja, J. Castilla, A. M. Masdeu-Bultó|2016|Dalton Trans.|45|14658|doi:10.1039/C6DT01069E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv3wd
title: CCDC 1455074: Experimental Crystal Structure Determination

description: Related Article: Montse Bazaga-García, Giasemi K. Angeli, Konstantinos E. Papathanasiou, Inés R. Salcedo, Pascual Olivera-Pastor, Enrique R. Losilla, Duane Choquesillo-Lazarte, Gary B. Hix, Aurelio Cabeza, and Konstantinos D. Demadis|2016|Inorg.Chem.|55|7414|doi:10.1021/acs.inorgchem.6b00570
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc14542j
title: CCDC 1047616: Experimental Crystal Structure Determination

description: Related Article: Montse Bazaga-García, Giasemi K. Angeli, Konstantinos E. Papathanasiou, Inés R. Salcedo, Pascual Olivera-Pastor, Enrique R. Losilla, Duane Choquesillo-Lazarte, Gary B. Hix, Aurelio Cabeza, and Konstantinos D. Demadis|2016|Inorg.Chem.|55|7414|doi:10.1021/acs.inorgchem.6b00570
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc14543k
title: CCDC 1047617: Experimental Crystal Structure Determination

description: Related Article: Montse Bazaga-García, Giasemi K. Angeli, Konstantinos E. Papathanasiou, Inés R. Salcedo, Pascual Olivera-Pastor, Enrique R. Losilla, Duane Choquesillo-Lazarte, Gary B. Hix, Aurelio Cabeza, and Konstantinos D. Demadis|2016|Inorg.Chem.|55|7414|doi:10.1021/acs.inorgchem.6b00570
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc14544l
title: CCDC 1047618: Experimental Crystal Structure Determination

description: Related Article: Montse Bazaga-García, Giasemi K. Angeli, Konstantinos E. Papathanasiou, Inés R. Salcedo, Pascual Olivera-Pastor, Enrique R. Losilla, Duane Choquesillo-Lazarte, Gary B. Hix, Aurelio Cabeza, and Konstantinos D. Demadis|2016|Inorg.Chem.|55|7414|doi:10.1021/acs.inorgchem.6b00570
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc14545m
title: CCDC 1047619: Experimental Crystal Structure Determination

description: Related Article: Montse Bazaga-García, Giasemi K. Angeli, Konstantinos E. Papathanasiou, Inés R. Salcedo, Pascual Olivera-Pastor, Enrique R. Losilla, Duane Choquesillo-Lazarte, Gary B. Hix, Aurelio Cabeza, and Konstantinos D. Demadis|2016|Inorg.Chem.|55|7414|doi:10.1021/acs.inorgchem.6b00570
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc14546n
title: CCDC 1047620: Experimental Crystal Structure Determination

description: Related Article: Montse Bazaga-García, Giasemi K. Angeli, Konstantinos E. Papathanasiou, Inés R. Salcedo, Pascual Olivera-Pastor, Enrique R. Losilla, Duane Choquesillo-Lazarte, Gary B. Hix, Aurelio Cabeza, and Konstantinos D. Demadis|2016|Inorg.Chem.|55|7414|doi:10.1021/acs.inorgchem.6b00570
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc14547p
title: CCDC 1047621: Experimental Crystal Structure Determination

description: Related Article: Montse Bazaga-García, Giasemi K. Angeli, Konstantinos E. Papathanasiou, Inés R. Salcedo, Pascual Olivera-Pastor, Enrique R. Losilla, Duane Choquesillo-Lazarte, Gary B. Hix, Aurelio Cabeza, and Konstantinos D. Demadis|2016|Inorg.Chem.|55|7414|doi:10.1021/acs.inorgchem.6b00570
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/cc1kv3cw
title: CCDC 1455058: Experimental Crystal Structure Determination

description: Related Article: Shanfei Pan,  Feifei Wu,  Ruicheng Yu,  and Wanzhi Chen|2016|J.Org.Chem.|81|1558|doi:10.1021/acs.joc.5b02710
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc14548q
title: CCDC 1047622: Experimental Crystal Structure Determination

description: Related Article: Montse Bazaga-García, Giasemi K. Angeli, Konstantinos E. Papathanasiou, Inés R. Salcedo, Pascual Olivera-Pastor, Enrique R. Losilla, Duane Choquesillo-Lazarte, Gary B. Hix, Aurelio Cabeza, and Konstantinos D. Demadis|2016|Inorg.Chem.|55|7414|doi:10.1021/acs.inorgchem.6b00570
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv3gz
title: CCDC 1455061: Experimental Crystal Structure Determination

description: Related Article: Mara F. Pinto, Bernardo de P. Cardoso, Sónia Barroso, Ana M. Martins, Beatriz Royo|2016|Dalton Trans.|45|13541|doi:10.1039/C6DT02718K
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv3h0
title: CCDC 1455062: Experimental Crystal Structure Determination

description: Related Article: Amit Mondal, Arpan Mondal, Sanjit Konar|2019|Magnetochem.|5|12|doi:10.3390/magnetochemistry5010012
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/cc1kv3n5
title: CCDC 1455067: Experimental Crystal Structure Determination

description: Related Article: Hashim F. Motiwala,  Manwika Charaschanya,  Victor W. Day,  and Jeffrey Aubé|2016|J.Org.Chem.|81|1593|doi:10.1021/acs.joc.5b02764
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/cc1kv3p6
title: CCDC 1455068: Experimental Crystal Structure Determination

description: Related Article: Hashim F. Motiwala,  Manwika Charaschanya,  Victor W. Day,  and Jeffrey Aubé|2016|J.Org.Chem.|81|1593|doi:10.1021/acs.joc.5b02764
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kq7cw
title: CCDC 1451338: Experimental Crystal Structure Determination

description: Related Article: Sounak Sarkar, Mysore S. Pavan, Suryanarayan Cherukuvada, Tayur N. Guru Row|2016|Chem.Commun.|52|5820|doi:10.1039/C6CC01612J
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv3zh
title: CCDC 1455077: Experimental Crystal Structure Determination

description: Related Article: Christina N. Banti, Nikolaos Kourkoumelis, Constantinos G. Tsiafoulis, Stavroula Skoulika, Sotiris K. Hadjikakou|2017|Polyhedron|121|115|doi:10.1016/j.poly.2016.09.056
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv40k
title: CCDC 1455078: Experimental Crystal Structure Determination

description: Related Article: Christina N. Banti, Nikolaos Kourkoumelis, Constantinos G. Tsiafoulis, Stavroula Skoulika, Sotiris K. Hadjikakou|2017|Polyhedron|121|115|doi:10.1016/j.poly.2016.09.056
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv41l
title: CCDC 1455079: Experimental Crystal Structure Determination

description: Related Article: Daniel L. Crossley, Inigo Vitorica-Yrezabal, Martin J. Humphries, Michael L. Turner, Michael J. Ingleson|2016|Chem.-Eur.J.|22|12439|doi:10.1002/chem.201602010
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv42m
title: CCDC 1455080: Experimental Crystal Structure Determination

description: Related Article: Christina N. Banti, Nikolaos Kourkoumelis, Constantinos G. Tsiafoulis, Stavroula Skoulika, Sotiris K. Hadjikakou|2017|Polyhedron|121|115|doi:10.1016/j.poly.2016.09.056
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.uptphc
title: Occurrence Download

description: A dataset containing 47 records in GBIF matching the query:
SELECT
 kingdom,
 kingdomkey,
 phylum,
 phylumkey,
 class,
 classkey,
 "order",
 orderkey,
 family,
 familykey,
 genus,
 genuskey,
 species,
 specieskey,
 "year",
 IF(ISNULL(kingdomkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY kingdomkey, "year")) kingdomcount,
 IF(ISNULL(phylumkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY phylumkey, "year")) phylumcount,
 IF(ISNULL(classkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY classkey, "year")) classcount,
 IF(ISNULL(orderkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY orderkey, "year")) ordercount,
 IF(ISNULL(familykey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY familykey, "year")) familycount,
 IF(ISNULL(genuskey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY genuskey, "year")) genuscount,
 COUNT(*) occurrences,
 MIN(GBIF_TEMPORALUNCERTAINTY(eventdate, eventtime)) mintemporaluncertainty,
 MIN(COALESCE(coordinateuncertaintyinmeters, 1000)) mincoordinateuncertaintyinmeters
FROM
 occurrence
WHERE
 occurrence.basisofrecord IN ('HUMAN_OBSERVATION', 'PRESERVED_SPECIMEN')
 AND occurrence.occurrencestatus = 'PRESENT'
 AND (CAST(occurrence.taxonkey AS INTEGER) = 2442089 OR CAST(occurrence.acceptedtaxonkey AS INTEGER) = 2442089 OR CAST(occurrence.kingdomkey AS INTEGER) = 2442089 OR CAST(occurrence.phylumkey AS INTEGER) = 2442089 OR CAST(occurrence.classkey AS INTEGER) = 2442089 OR CAST(occurrence.orderkey AS INTEGER) = 2442089 OR CAST(occurrence.familykey AS INTEGER) = 2442089 OR CAST(occurrence.genuskey AS INTEGER) = 2442089 OR CAST(occurrence.specieskey AS INTEGER) = 2442089)
 AND occurrence.hasgeospatialissues = FALSE
 AND NOT GBIF_STRINGARRAYCONTAINS(occurrence.issue, 'TAXON_MATCH_FUZZY', TRUE)
 AND (occurrence.distancefromcentroidinmeters &gt;= 2000.0 OR occurrence.distancefromcentroidinmeters IS NULL)
 AND (occurrence.specieskey IS NOT NULL AND occurrence."year" IS NOT NULL)
GROUP BY
 occurrence.kingdom,
 occurrence.kingdomkey,
 occurrence.phylum,
 occurrence.phylumkey,
 occurrence.class,
 occurrence.classkey,
 occurrence."order",
 occurrence.orderkey,
 occurrence.family,
 occurrence.familykey,
 occurrence.genus,
 occurrence.genuskey,
 occurrence.species,
 occurrence.specieskey,
 occurrence."year"

 The dataset's 47 records were derived from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0053196-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc1kv43n
title: CCDC 1455081: Experimental Crystal Structure Determination

description: Related Article: E. Goreshnik|2017|J.Coord.Chem.|70|859|doi:10.1080/00958972.2017.1285400
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv44p
title: CCDC 1455082: Experimental Crystal Structure Determination

description: Related Article: E. Goreshnik|2017|J.Coord.Chem.|70|859|doi:10.1080/00958972.2017.1285400
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/cc1k0c42
title: CCDC 1430313: Experimental Crystal Structure Determination

description: Related Article: Tohru Sekikawa,  Takayuki Kitaguchi,  Hayato Kitaura,  Tatsuya Minami,  and Yasuo Hatanaka|2016|Org.Lett.|18|646|doi:10.1021/acs.orglett.5b03539
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv4h1
title: CCDC 1455093: Experimental Crystal Structure Determination

description: Related Article: B. Ben Hassine, Ph. Negrier, M. Romanini, M. Barrio, R. Macovez, A. Kallel, D. Mondieig, J. Ll. Tamarit|2016|Phys.Chem.Chem.Phys.(PCCP)|18|10924|doi:10.1039/C6CP01144F
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv4j2
title: CCDC 1455094: Experimental Crystal Structure Determination

description: Related Article: B. Ben Hassine, Ph. Negrier, M. Romanini, M. Barrio, R. Macovez, A. Kallel, D. Mondieig, J. Ll. Tamarit|2016|Phys.Chem.Chem.Phys.(PCCP)|18|10924|doi:10.1039/C6CP01144F
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv48t
title: CCDC 1455086: Experimental Crystal Structure Determination

description: Related Article: Vladimír Lukeš, Martin Michalík, Peter Poliak, Denisa Cagardová, Daniel Végh, Dušan Bortňák, Marek Fronc, Jozef Kožíšek|2016|Synth.Met.|219|83|doi:10.1016/j.synthmet.2016.05.010
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv49v
title: CCDC 1455087: Experimental Crystal Structure Determination

description: Related Article: Vladimír Lukeš, Martin Michalík, Peter Poliak, Denisa Cagardová, Daniel Végh, Dušan Bortňák, Marek Fronc, Jozef Kožíšek|2016|Synth.Met.|219|83|doi:10.1016/j.synthmet.2016.05.010
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: 10.25505/fiz.icsd.cc1y2x97
title: CSD 1790259: Experimental Crystal Structure Determination

description: Related Article: Alexander Kuhn, Leslie M. Schoop, Roland Eger, Igor Moudrakovski, Stefan Schwarzmueller, Viola Duppel, Reinhard K. Kremer, Oliver Oeckler, Bettina V. Lotsch|2016|Inorg.Chem.|55|8031|doi:10.1021/acs.inorgchem.6b01161
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv4bw
title: CCDC 1455088: Experimental Crystal Structure Determination

description: Related Article: Vladimír Lukeš, Martin Michalík, Peter Poliak, Denisa Cagardová, Daniel Végh, Dušan Bortňák, Marek Fronc, Jozef Kožíšek|2016|Synth.Met.|219|83|doi:10.1016/j.synthmet.2016.05.010
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: 10.25505/fiz.icsd.cc1y2xb8
title: CSD 1790260: Experimental Crystal Structure Determination

description: Related Article: Alexander Kuhn, Leslie M. Schoop, Roland Eger, Igor Moudrakovski, Stefan Schwarzmueller, Viola Duppel, Reinhard K. Kremer, Oliver Oeckler, Bettina V. Lotsch|2016|Inorg.Chem.|55|8031|doi:10.1021/acs.inorgchem.6b01161
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc1y2xdb
title: CSD 1790262: Experimental Crystal Structure Determination

description: Related Article: Alexander Kuhn, Leslie M. Schoop, Roland Eger, Igor Moudrakovski, Stefan Schwarzmueller, Viola Duppel, Reinhard K. Kremer, Oliver Oeckler, Bettina V. Lotsch|2016|Inorg.Chem.|55|8031|doi:10.1021/acs.inorgchem.6b01161
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25574/43503
title: Chandra X-ray Observatory ObsId 43503
DOI: 10.5517/ccdc.csd.cc1j7fhp
title: CCDC 1407322: Experimental Crystal Structure Determination

description: Related Article: Adam Gorczyński, Maciej Kubicki, Klaudia Szymkowiak, Teresa Łuczak, Violetta Patroniak|2016|RSC Advances|6|101888|doi:10.1039/C6RA22028B
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.