cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.15188942
title: Data for: "Supersolid phase in two-dimensional soft-core bosons at finite temperature"

description: Files containing data obtained from Hartree-Fock simulations have file names beginning with HF, instead path integral Monte Carlo data begin with PIMC. 

The data are stored in plain text format. Each file contains a header presenting the data contained in it and specifying important parameters.

A python script is included (plot_HF_data.py), which allows to plot the data contained in the HF files and obtain figures similar to the ones of the associated paper.
DOI: 10.3535/yry-g5k-esp
title: Specklinia calyptrostele (Schltr.) Pridgeon & M.W.Chase

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/ll8-wea-mq6
title: Guenthera persica subsp. persica

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/rzk-m1t-34d
title: Ctenitis sieberiana (Kaulf. ex Spreng.) Hennequin & Rouhan

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/7qq-0zq-1ht
title: Barbosella dolichorhiza Schltr.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/b15-l66-89n
title: Specklinia lanceola (Sw.) Lindl.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/1k6-hs7-pfk
title: Andreettaea quinqueseta (Ames) A.Doucette

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/gt9-12f-06k
title: Viola graeca (W. Becker) Halácsy

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/8tm-ks3-ftr
title: Barbosella dolichorhiza Schltr.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/s9a-p1j-b78
title: Specklinia grobyi (Bateman ex Lindl.) F.Barros

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/zqf-rby-bp7
title: Erythroxylum pulchrum A. St.-Hil.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/zrw-n09-x5p
title: Phlebodium aureum (L.) J. Sm.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/yp6-hm1-bma
title: Monteverdia obtusifolia (Mart.) Biral

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/b2j-cw3-ybj
title: Agrostis stolonifera L.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/ppv-37r-b6b
title: Euphorbia rhytidosperma Boiss. & Balansa

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/2ga-0cl-ayj
title: Peritassa calypsoides (Cambess.) A. C. Sm.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/xkd-cjk-p8j
title: Fleischmannia pycnocephala (Less.) R. M. King & H. Rob.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/684-2qv-ny2
title: Erythroxylum cuneifolium (Mart.) O. E. Schulz

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/cp4-rxp-rh6
title: Tricholaena capensis subsp. capensis

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/8er-m0a-xyn
title: Heliotropium crispum Desf.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/x1l-3yw-w10
title: Pleroma formosum (Cogn.) P. J. F. Guim. & Michelang.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/9bw-emz-0b0
title: Kigelia africana subsp. moosa (Sprague) Bidgood & Verdc.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/j93-2va-3rh
title: Miconia niangaeformis (Cogn.) R. Goldenb.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/k3j-5ek-rqf
title: Alyssum serpyllifolium Desf.

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/skr-7vd-0ff
title: Tricholaena capensis subsp. arenaria (Nees) Zizka

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/2a2-x00-y0s
title: Micropholis crotonoides (Pierre) Pierre

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/7t8-z4d-5st
title: Dictyophleba ochracea (K. Schum. ex Hallier fil.) Pichon

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/mlf-88h-h9h
title: Aralia bipinnata Blanco

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/fan-cxj-ca0
title: Lycianthes vitiensis (Seem.) A. R. Bean

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.3535/vn4-8nw-xr2
title: Abutilon viscosum (L.) Dorr

description: Digital Specimen for the physical specimen hosted at University of Graz.
DOI: 10.15468/dl.rfnszz
title: Occurrence Download

description: A dataset containing 8816578 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Turdus merula)",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "License is one of (CC-BY 4.0, CC0 1.0)"
 ]
}

 The dataset includes 8816578 records from 6714 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0072650-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kfjrqy
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Setophaga nigrescens)",
 "Country is one of (Afghanistan, Armenia, Azerbaijan, Bahrain, Bangladesh, Bhutan, Brunei Darussalam, Cambodia, China, Cyprus, Georgia, Hong Kong, India, Indonesia, Iran (Islamic Republic of), Iraq, Israel, Japan, Jordan, Kazakhstan, Korea (Democratic People’s Republic of), Korea, Republic of, Kuwait, Kyrgyzstan, Lao People’s Democratic Republic, Lebanon, Macao, Malaysia, Maldives, Mongolia, Myanmar, Nepal, Oman, Pakistan, Palestine, State of, Philippines, Qatar, Saudi Arabia, Singapore, Sri Lanka, Syrian Arab Republic, Tajikistan, Thailand, Timor-Leste, Türkiye, Turkmenistan, United Arab Emirates, Uzbekistan, Viet Nam, Yemen)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004496-250717081556266/datasets/export for details.
DOI: 10.15468/dl.ebrdd2
title: Occurrence Download

description: A dataset containing 672437 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Anemone nemorosa"
 ]
}

 The dataset includes 672437 records from 1861 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004386-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.29344775.v1
title: MirtronDB_version2

description: MirtronDB_version2 database dump
DOI: 10.15468/dl.3b5399
title: Occurrence Download

description: A dataset containing 10786 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Ciconiiformes)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((-80 40,-70 40,-70 50,-80 50,-80 40))"
 ]
}

 The dataset includes 10786 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024147-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.28387994
title: Post Stroke Cognitive Impairment: more than a lesion-symptom model. Dataset and accompanying scripts for the main analysis.

description: In this study we investigated to what extent we can distinguish meaningful subgroups of stroke patients who are characterized by across-domain cognitive profiles and how such profiles are associated to lesion neuro-anatomy, global cortical atrophy and lesion white matter integrity.<br>Here we share the OCS-NL data used in the study. OCS data of other countries (UK) are available on the DPUK platform. Scripts to replicate all main analysis are shared.
DOI: 10.6084/m9.figshare.28387994.v1
title: Post Stroke Cognitive Impairment: more than a lesion-symptom model. Dataset and accompanying scripts for the main analysis.

description: In this study we investigated to what extent we can distinguish meaningful subgroups of stroke patients who are characterized by across-domain cognitive profiles and how such profiles are associated to lesion neuro-anatomy, global cortical atrophy and lesion white matter integrity.<br>Here we share the OCS-NL data used in the study. OCS data of other countries (UK) are available on the DPUK platform. Scripts to replicate all main analysis are shared.
DOI: 10.15468/dl.4qzk79
title: Occurrence Download

description: A dataset containing 188 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Ciconiiformes)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((-70 40,-60 40,-60 50,-70 50,-70 40))"
 ]
}

 The dataset includes 188 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024146-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qa8zpd
title: Occurrence Download

description: A dataset containing 71 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Sedum spathulifolium",
 "Country is United Kingdom of Great Britain and Northern Ireland",
 "HasCoordinate is true"
 ]
}

 The dataset includes 71 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009757-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.awc9r9
title: Occurrence Download

description: A dataset containing 25 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Sedum spathulifolium",
 "Country is Netherlands",
 "HasCoordinate is true"
 ]
}

 The dataset includes 25 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009756-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n7u5vz
title: Occurrence Download

description: A dataset containing 14 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Spartocera granulata",
 "HasCoordinate is True"
 ]
}

 The dataset includes 14 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009755-251009101135966/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.cc2fq4jv
title: CCDC 2255607: Experimental Crystal Structure Determination

description: Related Article: Peng Wang, Ziyao Su, Zeqian Yang, Jianhua Cheng, Hengquan Yang, Israel M. Kibeye, Xia Chen|2025|Polym.Chem.|16|4745|doi:10.1039/d5py00481k
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.cc2fq4kw
title: CCDC 2255608: Experimental Crystal Structure Determination

description: Related Article: Peng Wang, Ziyao Su, Zeqian Yang, Jianhua Cheng, Hengquan Yang, Israel M. Kibeye, Xia Chen|2025|Polym.Chem.|16|4745|doi:10.1039/d5py00481k
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.cc2hmwcd
title: CCDC 2313014: Experimental Crystal Structure Determination

description: Related Article: Zhi-Min Zhai, Ting Hou, Yan Xu, Teng Qian, Song-Song Bao, Li-Min Zheng|2025|Chem.-Eur.J.|31|e202403699|doi:10.1002/chem.202403699
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.cc2hmhxk
title: CCDC 2312659: Experimental Crystal Structure Determination

description: Related Article: Zhi-Min Zhai, Ting Hou, Yan Xu, Teng Qian, Song-Song Bao, Li-Min Zheng|2025|Chem.-Eur.J.|31|e202403699|doi:10.1002/chem.202403699
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.cc213s10
title: CCDC 1880461: Experimental Crystal Structure Determination

description: Related Article: Julius Mutschler, Thomas Ruppert, Yan Peng, Sören Schlittenhardt, Yannik F. Schneider, Jonas Braun, Christopher E. Anson, Jacques Ollivier, Quentin Berrod, Jean-Marc Zanotti, Mario Ruben, Annie K. Powell, Oliver Waldmann|2025|Cell Reports Physical Science|6|102848|doi:10.1016/j.xcrp.2025.102848
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.cc2jypry
title: CCDC 2352241: Experimental Crystal Structure Determination

description: Related Article: Julius Mutschler, Thomas Ruppert, Yan Peng, Sören Schlittenhardt, Yannik F. Schneider, Jonas Braun, Christopher E. Anson, Jacques Ollivier, Quentin Berrod, Jean-Marc Zanotti, Mario Ruben, Annie K. Powell, Oliver Waldmann|2025|Cell Reports Physical Science|6|102848|doi:10.1016/j.xcrp.2025.102848
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.cc2jypsz
title: CCDC 2352242: Experimental Crystal Structure Determination

description: Related Article: Julius Mutschler, Thomas Ruppert, Yan Peng, Sören Schlittenhardt, Yannik F. Schneider, Jonas Braun, Christopher E. Anson, Jacques Ollivier, Quentin Berrod, Jean-Marc Zanotti, Mario Ruben, Annie K. Powell, Oliver Waldmann|2025|Cell Reports Physical Science|6|102848|doi:10.1016/j.xcrp.2025.102848
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.cc2jypt0
title: CCDC 2352243: Experimental Crystal Structure Determination

description: Related Article: Julius Mutschler, Thomas Ruppert, Yan Peng, Sören Schlittenhardt, Yannik F. Schneider, Jonas Braun, Christopher E. Anson, Jacques Ollivier, Quentin Berrod, Jean-Marc Zanotti, Mario Ruben, Annie K. Powell, Oliver Waldmann|2025|Cell Reports Physical Science|6|102848|doi:10.1016/j.xcrp.2025.102848
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.cc2k4f05
title: CCDC 2357736: Experimental Crystal Structure Determination

description: Related Article: Yuyue Li, Xintao Gu, Yin Wei, Min Shi|2025|Sci.China.Chem.|68|4959|doi:10.1007/s11426-025-2704-x
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.cc2kpr89
title: CCDC 2374391: Experimental Crystal Structure Determination

description: Related Article: Yujie Chen, Dong Deng, Haitao Chen, Yuehua Zhang, Junying Ge, Jun Chen, Junyue Lin|2025|ACS Omega|||doi:10.1021/acsomega.5c06643
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.cc2ltkxx
title: CCDC 2407860: Experimental Crystal Structure Determination

description: Related Article: Xue Chen, Yanran Yang, Shuli Li, Tianhao Chen, Hegui Gong, Xiaotai Wang, Weichen Huang|2025|ACS Catalysis|15|17558|doi:10.1021/acscatal.5c06406
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.cc2lrtv1
title: CCDC 2406184: Experimental Crystal Structure Determination

description: Related Article: Siddhima Sharma, Lalima Sharma, Narendra Chauhan, Renu Rathore, Afsar Ali, Neeraj Kumar, D. Vijay, MANGALSHREE DULAWAT|2025|Chem. Sel.|10|e01192|doi:10.1002/slct.202501192
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.cc2ngwpq
title: CCDC 2457174: Experimental Crystal Structure Determination

description: Related Article: Pratima Dhawan, Oussama Tihouna, Christoph Wölper, Joost Möbius, Hannah Siera, Gebhard Haberhauer, Stephan Schulz|2025|Eur.J.Inorg.Chem.|28|e202500311|doi:10.1002/ejic.202500311
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.cc2ngwqr
title: CCDC 2457175: Experimental Crystal Structure Determination

description: Related Article: Pratima Dhawan, Oussama Tihouna, Christoph Wölper, Joost Möbius, Hannah Siera, Gebhard Haberhauer, Stephan Schulz|2025|Eur.J.Inorg.Chem.|28|e202500311|doi:10.1002/ejic.202500311
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.cc2ngwrs
title: CCDC 2457176: Experimental Crystal Structure Determination

description: Related Article: Pratima Dhawan, Oussama Tihouna, Christoph Wölper, Joost Möbius, Hannah Siera, Gebhard Haberhauer, Stephan Schulz|2025|Eur.J.Inorg.Chem.|28|e202500311|doi:10.1002/ejic.202500311
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.cc2npp46
title: CCDC 2463698: Experimental Crystal Structure Determination

description: Related Article: Arnau Rodríguez-Rubio, He Zhu, Ka Man Cheung, Igor Rončević, Lene A. Gödde, Janko Hergenhahn, Joshua L. Field, Prakhar Gupta, Wojciech Stawski, Henrik Gotfredsen, Joseph Straw, Matthew Edmondson, James O’Shea, Alex Saywell, and Harry L. Anderson|2025|Science|390|290|doi:10.1126/science.adz8900
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.cc2pdmg6
title: CCDC 2484788: Experimental Crystal Structure Determination

description: Related Article: Dinithi N. Alwis, Ayesha Begum, Caleb D. Martin|2025|Organometallics|||doi:10.1021/acs.organomet.5c00363
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.cc2pdmh7
title: CCDC 2484789: Experimental Crystal Structure Determination

description: Related Article: Dinithi N. Alwis, Ayesha Begum, Caleb D. Martin|2025|Organometallics|||doi:10.1021/acs.organomet.5c00363
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.