cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.uxiue8
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Symphyotrichum martii (Baker) G.L.Nesom",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0039094-180508205500799/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6e59sg
title: Occurrence Download

description: A dataset containing 61956 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Aphragmophora"
 ]
}

 The dataset includes 61956 records from 159 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0263826-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17899483
title: Limited Generalizability of Epigenetic Clocks and Scores Across Pediatric Tissues and Age Ranges: eTable 11 - Epigenome-wide blood-saliva correlations

description: Limited Generalizability of Epigenetic Clocks and Scores Across Pediatric Tissues and Age Ranges

Author: Vera N. KarlbauerContact: vera_karlbauer@psych.mpg.deDate created: 2025-12-11

eTable 11: Epigenome-wide correlations and ICC estimates between pediatric blood and salivary DNA methylation.

This is eTable 11 corresponding to the manuscript Limited Generalizability of Epigenetic Clocks and Scores Across Pediatric Tissues and Age Ranges by Vera N. Karlbauer, Carmen Domínguez-Baleón, Monika Rex-Haffner, Tamara Namendorf, Ferdinand Hoffmann, Heiko Klawitter, Sonja Entringer, Claudia Buss, Sibylle M. Winter, Christine Heim, Elisabeth B. Binder and Darina Czamara.

This data contains epigenome-wide correlations and ICC estimates between pediatric blood and salivary DNAm for 815,069 CpGs measured with the Illumina EPICv2 microarray in 291 matched pediatric blood and saliva samples from the Kids2Health cohort, aged 3-12 years.

The data is intended as a resource for epigenetic researchers interested in checking the tissue-specificity of their EWAS results or selecting CpGs with high cross-tissue comparability for constructing new pediatric epigenetic measures. 

File descriptions

etable_11_blood_saliva_epigenome_wide.csv

Epigenome-wide within-person Spearman correlations and ICC estimates between pediatric blood and salivary DNAm (beta values) for 815,069 CpGs. Estimates are provided with and without prior tissue-specific residualization for estimated cell type proportions. 

dictionary_etable_11_blood_saliva_epigenome_wide.csv

Data dictionary/codebook with detailed descriptions of all columns in etable_11_blood_saliva_epigenome_wide.csv.

Code availability:

The corresponding code for all statistical analyses is available at: https://github.com/vera-karlbauer/limited_generalizability_of_epigenetic_measures
DOI: 10.5281/zenodo.17899484
title: Limited Generalizability of Epigenetic Clocks and Scores Across Pediatric Tissues and Age Ranges: eTable 11 - Epigenome-wide blood-saliva correlations

description: Limited Generalizability of Epigenetic Clocks and Scores Across Pediatric Tissues and Age Ranges

Author: Vera N. KarlbauerContact: vera_karlbauer@psych.mpg.deDate created: 2025-12-11

eTable 11: Epigenome-wide correlations and ICC estimates between pediatric blood and salivary DNA methylation.

This is eTable 11 corresponding to the manuscript Limited Generalizability of Epigenetic Clocks and Scores Across Pediatric Tissues and Age Ranges by Vera N. Karlbauer, Carmen Domínguez-Baleón, Monika Rex-Haffner, Tamara Namendorf, Ferdinand Hoffmann, Heiko Klawitter, Sonja Entringer, Claudia Buss, Sibylle M. Winter, Christine Heim, Elisabeth B. Binder and Darina Czamara.

This data contains epigenome-wide correlations and ICC estimates between pediatric blood and salivary DNAm for 815,069 CpGs measured with the Illumina EPICv2 microarray in 291 matched pediatric blood and saliva samples from the Kids2Health cohort, aged 3-12 years.

The data is intended as a resource for epigenetic researchers interested in checking the tissue-specificity of their EWAS results or selecting CpGs with high cross-tissue comparability for constructing new pediatric epigenetic measures. 

File descriptions

etable_11_blood_saliva_epigenome_wide.csv

Epigenome-wide within-person Spearman correlations and ICC estimates between pediatric blood and salivary DNAm (beta values) for 815,069 CpGs. Estimates are provided with and without prior tissue-specific residualization for estimated cell type proportions. 

dictionary_etable_11_blood_saliva_epigenome_wide.csv

Data dictionary/codebook with detailed descriptions of all columns in etable_11_blood_saliva_epigenome_wide.csv.

Code availability:

The corresponding code for all statistical analyses is available at: https://github.com/vera-karlbauer/limited_generalizability_of_epigenetic_measures
DOI: 10.15468/dl.zgmrny
title: Occurrence Download

description: A dataset containing 34534 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Netherlands",
 "TaxonKey is Cerastoderma edule",
 "Year 2000-2025"
 ]
}

 The dataset includes 34534 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047613-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7266/2bgcd9sb
title: DEEPEND: Raw acoustic scattering data of water column organisms collected during R/V Point Sur cruise DP10 (PS25_17) in the northern Gulf of Mexico from 2025-04-22 to 2025-05-02
DOI: 10.15468/dl.vctbb6
title: Occurrence Download

description: A dataset containing 193 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Chusquea attenuata"
 ]
}

 The dataset includes 193 records from 44 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047615-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.a5ubbj
title: Occurrence Download

description: A dataset containing 1520 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tracheophyta",
 "DecimalLatitude is greater than or equal to 69.085278",
 "DecimalLatitude is less than or equal to 74.085278",
 "DecimalLongitude is greater than or equal to 140.0",
 "DecimalLongitude is less than or equal to 145.0",
 "HasCoordinate is TRUE",
 "HasGeospatialIssue is FALSE"
 ]
}

 The dataset includes 1520 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047617-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ycqsa5
title: Occurrence Download

description: A dataset containing 5212 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON ((-2.315734 54.966645, -2.318093 55.031059, -2.409542 55.031059, -2.407090 54.966645, -2.315734 54.966645))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2015",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 5212 records from 51 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047616-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.s3t2y9
title: Occurrence Download

description: A dataset containing 55 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((103.496 -0.933817, 103.425728 -0.939383, 103.357185 -0.955945, 103.292059 -0.983094, 103.231952 -1.020163, 103.178345 -1.066239, 103.132556 -1.120187, 103.095714 -1.180681, 103.068726 -1.24623, 103.052256 -1.315222, 103.046712 -1.385957, 103.05223 -1.456694, 103.068676 -1.525692, 103.095645 -1.59125, 103.132475 -1.651756, 103.178259 -1.705717, 103.231871 -1.751806, 103.29199 -1.788887, 103.357135 -1.816045, 103.425701 -1.832613, 103.496 -1.838181, 103.566299 -1.832613, 103.634865 -1.816045, 103.70001 -1.788887, 103.760129 -1.751806, 103.813741 -1.705717, 103.859525 -1.651756, 103.896355 -1.59125, 103.923324 -1.525692, 103.93977 -1.456694, 103.945288 -1.385957, 103.939744 -1.315222, 103.923274 -1.24623, 103.896286 -1.180681, 103.859444 -1.120187, 103.813655 -1.066239, 103.760048 -1.020163, 103.699941 -0.983094, 103.634815 -0.955945, 103.566272 -0.939383, 103.496 -0.933817))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 55 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047619-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ryxk9x
title: Occurrence Download

description: A dataset containing 81169 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Butterfly distribution records for the UK from Butterfly Conservation, up to 2019",
 "Year is greater than or equal to 1900",
 "Year is less than or equal to 1969",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 81169 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047595-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.t6n9mq
title: Occurrence Download

description: A dataset containing 15724 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is VIS - Fish species introduction and recovery evaluation in streams and rivers in Flanders, Belgium"
 ]
}

 The dataset includes 15724 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047622-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14284/766
title: Population Balance Equations for microplastics transport in estuarine environments

description: Fortran codes for setting up depth-averaged (2DH) TELEMAC model to simulate microplastic transport, developed at Hydraulics and Geotechnics division of KU Leuven. Source code available at: https://gitlab.kuleuven.be/hwest/telemac/researchers/pluxin/pbe_largescale
description: Population Balance Equations (PBE) for microplastic (MP) transport in aquatic environment - applied to Scheldt Estuary. The codes and files provided here are examples of the TELEMAC (www.openTELEMAC.org) implementation of the PBE model in a 2D depth-averaged model. We utilise the one-node EQMOM to compute the settling velocity of the microplastics dynamically based on the dominant size of MP particles. 2 dimensional horizontal (depth-averaged) Scheldt Estuary model: 2DH model, has been set up for the Scheldt river/estuary and Belgian part of North Sea. The model couples TELEMAC-TOMAWAC-GAIA. The transport of two sediment fractions, sand and mud is also computed using GAIA in order to allow to account for hetero-aggregation of microplastic with the abundantly present cohesive sediment flocs in areas with significant turbidity. The model has been calibrated for water levels, flow velocity and sediment concentrations, and also waves in the coastal area. The MP size based PBE method has been used. Thereby evolution of MP sizes (therefore settling velocity) is tracked dynamically, in accounting for the source and sink terms. For further details on the PBE framework of MP transport, users are referred to the journal paper https://doi.org/10.1021/acs.est.4c02223.
DOI: 10.7910/dvn/goorer
title: Replication Data for: Personal Narratives Reduce Negative Attitudes toward Immigrant Outgroups: Evidence from Kenya

description: Survey data and Stata do file to replicate all analysis. Analysis conducted in StataSE 15.1.
DOI: 10.15468/dl.v7j6q3
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((110.478 -0.931817, 110.407728 -0.937383, 110.339185 -0.953945, 110.274059 -0.981094, 110.213952 -1.018163, 110.160345 -1.064239, 110.114556 -1.118188, 110.077714 -1.178681, 110.050726 -1.244231, 110.034257 -1.313222, 110.028712 -1.383957, 110.03423 -1.454694, 110.050676 -1.523692, 110.077645 -1.589251, 110.114475 -1.649756, 110.16026 -1.703717, 110.213871 -1.749806, 110.27399 -1.786887, 110.339135 -1.814045, 110.407701 -1.830613, 110.478 -1.836181, 110.548299 -1.830613, 110.616865 -1.814045, 110.68201 -1.786887, 110.742129 -1.749806, 110.79574 -1.703717, 110.841525 -1.649756, 110.878355 -1.589251, 110.905324 -1.523692, 110.92177 -1.454694, 110.927288 -1.383957, 110.921743 -1.313222, 110.905274 -1.244231, 110.878286 -1.178681, 110.841444 -1.118188, 110.795655 -1.064239, 110.742048 -1.018163, 110.681941 -0.981094, 110.616815 -0.953945, 110.548272 -0.937383, 110.478 -0.931817))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047623-251120083545085/datasets/export for details.
DOI: 10.6084/m9.figshare.30862172
title: Larch responses to pine wilt disease

description: Metabolomes of needles and stems of Larix kaempferi seedlings at 1, 7, and 15 days after pine wood nematode infection
DOI: 10.6084/m9.figshare.30862172.v1
title: Larch responses to pine wilt disease

description: Metabolomes of needles and stems of Larix kaempferi seedlings at 1, 7, and 15 days after pine wood nematode infection
DOI: 10.15468/pnz8jb
title: Monitoring of flora and fauna at gas extraction sites: an autumn-2025 study in the Lviv and Ivano-Frankivsk regions

description: As part of the environmental monitoring conducted by the company, a study was carried out to assess the impact of the gas production department "Lvivhazvydobuvannia"'s activities on the flora and fauna of selected sites in the Lviv and Ivano-Frankivsk regions during the spring period of 2025.The resulting dataset includes records of identified species of flora, fauna, and fungi within the surveyed areas. These data were used to analyze biodiversity patterns and to develop recommendations aimed at mitigating anthropogenic pressure on the region’s natural ecosystems.
DOI: 10.15468/bsfvn4
title: Natuurmuseum Brabant, Tilburg - Observations

description: The observation dataset contains registered spider observations made in ‘De Kaaistoep’ a nature reserve and research area near Tilburg, The Netherlands.
DOI: 10.15468/dl.549qgg
title: Occurrence Download

description: A dataset containing 55 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((103.543 -0.929817, 103.472728 -0.935383, 103.404185 -0.951945, 103.339059 -0.979094, 103.278952 -1.016163, 103.225345 -1.062239, 103.179557 -1.116188, 103.142715 -1.176681, 103.115726 -1.242231, 103.099257 -1.311222, 103.093713 -1.381957, 103.099231 -1.452694, 103.115676 -1.521692, 103.142646 -1.587251, 103.179476 -1.647756, 103.22526 -1.701718, 103.278871 -1.747806, 103.33899 -1.784887, 103.404135 -1.812045, 103.472701 -1.828613, 103.543 -1.834181, 103.613299 -1.828613, 103.681865 -1.812045, 103.74701 -1.784887, 103.807129 -1.747806, 103.86074 -1.701718, 103.906524 -1.647756, 103.943354 -1.587251, 103.970324 -1.521692, 103.986769 -1.452694, 103.992287 -1.381957, 103.986743 -1.311222, 103.970274 -1.242231, 103.943285 -1.176681, 103.906443 -1.116188, 103.860655 -1.062239, 103.807048 -1.016163, 103.746941 -0.979094, 103.681815 -0.951945, 103.613272 -0.935383, 103.543 -0.929817))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 55 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047629-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17734111
title: Janus Mn single atoms for triggering efficient photothermal catalytic CO2 methanation through spin polarization effect

description: This dataset is the original data for article “Janus Mn single atoms for triggering efficient photothermal catalytic CO2 methanation through spin polarization effect”. The raw data includes all data from Fig.1 to Fig.5 and S1 to S36.
DOI: 10.5281/zenodo.17734110
title: Janus Mn single atoms for triggering efficient photothermal catalytic CO2 methanation through spin polarization effect

description: This dataset is the original data for article “Janus Mn single atoms for triggering efficient photothermal catalytic CO2 methanation through spin polarization effect”. The raw data includes all data from Fig.1 to Fig.5 and S1 to S36.
DOI: 10.5281/zenodo.17901624
title: Supplemental data for On Gene Regulatory Networks Controlling Flowering Time in Brassica napus

description: This contains data files for my PhD thesis.
DOI: 10.15468/dl.hxq68p
title: Occurrence Download

description: A dataset containing 28247 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Posidonia oceanica",
 "Year 2001-2025"
 ]
}

 The dataset includes 28247 records from 77 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047628-251120083545085/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.cc2hx6xk
title: CCDC 2321029: Experimental Crystal Structure Determination

description: Related Article: Jian-Sheng Wei, Xiu-Ru Du, Zhi-Qiang Du, Ling-Yi Zhong, Ao-Qiang Ma, Jian Wang, Ai-Bao Xia, Dan-Qian Xu|2025|New J.Chem.|49|19945|doi:10.1039/d5nj02982a
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.cc2j06nf
title: CCDC 2323904: Experimental Crystal Structure Determination

description: Related Article: Zheng Su, Binhong Tan, Hui He, Kaifeng Chen, Shixin Chen, Hongtao Lei, Tie-Gen Chen, Shao-Fei Ni, Zhaodong Li|2024|Angew.Chem.,Int.Ed.|63|e202402038|doi:10.1002/anie.202402038
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.cc2j06pg
title: CCDC 2323905: Experimental Crystal Structure Determination

description: Related Article: Zheng Su, Binhong Tan, Hui He, Kaifeng Chen, Shixin Chen, Hongtao Lei, Tie-Gen Chen, Shao-Fei Ni, Zhaodong Li|2024|Angew.Chem.,Int.Ed.|63|e202402038|doi:10.1002/anie.202402038
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.cc2j0y9t
title: CCDC 2324606: Experimental Crystal Structure Determination

description: Related Article: Wen-Xuan Wang, Li-Wen Bai, Yongliang Shao, Xiao-Yang Han, Juan He, Jing Li, Xinxiang Lei|2025|Cryst.Growth Des.|||doi:10.1021/acs.cgd.5c01317
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.cc2j0ycw
title: CCDC 2324608: Experimental Crystal Structure Determination

description: Related Article: Wen-Xuan Wang, Li-Wen Bai, Yongliang Shao, Xiao-Yang Han, Juan He, Jing Li, Xinxiang Lei|2025|Cryst.Growth Des.|||doi:10.1021/acs.cgd.5c01317
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.cc2j3jv1
title: CCDC 2327103: Experimental Crystal Structure Determination

description: Related Article: Kirill S. Korzhenko, Dmitry V. Osipov, Aleksandra S. Chechulina, Pavel E. Krasnikov, Oleg P. Demidov, Vitaly A. Osyanin|2025|Asian J.Org.Chem|14|e202400680|doi:10.1002/ajoc.202400680
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.cc2j40qf
title: CCDC 2327564: Experimental Crystal Structure Determination

description: Related Article: Xiang Li, Qianqian Shi, Qing-Xian Xie, Huan Jing, Chang-Bin Yu, Yu Lan, Yong-Gui Zhou|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c12776
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.