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

description: A dataset containing 119940 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Quercus rubra L., Quercus sada Mast., Quercus rubra var. pendula DeVos, Quercus rubra f. juvenilis Trel., Quercus borealis F.Michx., Quercus acerifolia G.Kirchn., Quercus coccinea var. ambigua A.Gray, Quercus ambigua F.Michx., Quercus rubra f. houbae Trel., Quercus cuneata Dippel, Quercus rubra var. maxima Marshall, Quercus angulizana Raf., Quercus rubra var. subserrata Lam., Quercus rubra var. hispanica Castigl., Quercus rubra var. pendula de Vos, Quercus rubra var. rubra, Quercus rubra var. latifolia Aiton, Quercus michauxii F.Dietr., Quercus borealis var. flabellata Croizat, Quercus rubra f. obovata Trel., Quercus rubra var. ramosissima Marshall, Quercus rubra var. latepinnatifida Kuntze, Quercus rubra var. borealis (F.Michx.) Farw., Quercus rubra var. ambigua (A.Gray) Fernald, Erythrobalanus rubra (L.) O.Schwarz, Quercus rubra f. cuneata Trel., Quercus borealis var. maxima (Marshall) Sargent, Quercus borealis var. maxima (Marshall) Ashe, Quercus maxima (Marshall) Ashe, Quercus borealis f. flabellata (Croizat) Rehder)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2000"
 ]
}

 The dataset includes 119940 records from 810 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016995-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zgv8rp
title: Occurrence Download

description: A dataset containing 7629545 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Continent is North America",
 "Country is United States of America",
 "DatasetKey is iNaturalist Research-grade Observations",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year 2024-2024"
 ]
}

 The dataset includes 7629545 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016998-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.4581124
title: Data for "On the Practice of Semantic Versioning for Ansible Galaxy Roles: An Empirical Study and a Change Classification Model"

description: This dataset accompanies a replication package provided for a study on Semantic Versioning for Ansible Galaxy roles.


The replication package is available at https://github.com/ROpdebee/ansible_semver_ext_replication
DOI: 10.5281/zenodo.4581125
title: Data for "On the Practice of Semantic Versioning for Ansible Galaxy Roles: An Empirical Study and a Change Classification Model"

description: This dataset accompanies a replication package provided for a study on Semantic Versioning for Ansible Galaxy roles. The replication package is available at https://github.com/ROpdebee/ansible_semver_ext_replication
DOI: 10.5281/zenodo.4991955
title: Data for "On the Practice of Semantic Versioning for Ansible Galaxy Roles: An Empirical Study and a Change Classification Model"

description: This dataset accompanies a replication package provided for a study on Semantic Versioning for Ansible Galaxy roles.


The replication package is available at https://github.com/ROpdebee/ansible_semver_ext_replication
DOI: 10.5281/zenodo.4039513
title: Ansible Galaxy roles, versions, and metadata

description: A dataset of Ansible roles accompanying the SCAM 2020 publication: R. Opdebeeck, A. Zerouali, C. Velázquez-Rodríguez, C. De Roover. “Does Infrastructure as Code Adhere to Semantic Versioning? An Analysis of Ansible Role Evolution”, In Proc. 20th Int. Working Conf. on Source Code Analysis and Manipulation, 2020.


Contents


- `repos.tar.gz`: Tar-ball of git repositories of all roles included in the dataset. The subdirectories in this archive are named using the role's Ansible Galaxy qualified name, i.e., `<namespace>.<role_name>`
- `roles.json`: A JSON file containing metadata extracted from Ansible Galaxy for each role.
- `repo_paths.json`: A mapping from Ansible Galaxy role IDs to their path in the `repos` directory.
- `tag_versions.json`: A mapping from Ansible Galaxy role IDs to the role's repository's git tags and metadata on these tags.
- `version_analysis.json`: Similar to `tag_versions.json`, but with additional filtering applied.
- `versiondiff_analysis.json`: Contains syntactical change statistics for each version bump in the role repositories.
- `structural_diff_analysis.json`: Contains structural change statistics for each version bump in the role repositories.
- `struct_diff_cache.zip`: Directory containing per-role diff statistics, primarily used for caching during the pipeline.
- `metrics_diffs_releases.csv`: CSV containing the structural diff statistics merged with the bump type of the version increments.
- `reports.zip`: Graphs and charts describing some of the output of the pipeline, as well as CSVs containing raw data.
- `version.json`: The version of the dataset structure.


Software and Tools


Tools to gather, extract, and process this data can be found separately at https://zenodo.org/record/4040647.
DOI: 10.5281/zenodo.4039514
title: Ansible Galaxy roles, versions, and metadata

description: A dataset of Ansible roles accompanying the SCAM 2020 publication: R. Opdebeeck, A. Zerouali, C. Velázquez-Rodríguez, C. De Roover. “Does Infrastructure as Code Adhere to Semantic Versioning? An Analysis of Ansible Role Evolution”, In Proc. 20th Int. Working Conf. on Source Code Analysis and Manipulation, 2020.


Contents


- `repos.tar.gz`: Tar-ball of git repositories of all roles included in the dataset. The subdirectories in this archive are named using the role's Ansible Galaxy qualified name, i.e., `<namespace>.<role_name>`
- `roles.json`: A JSON file containing metadata extracted from Ansible Galaxy for each role.
- `repo_paths.json`: A mapping from Ansible Galaxy role IDs to their path in the `repos` directory.
- `tag_versions.json`: A mapping from Ansible Galaxy role IDs to the role's repository's git tags and metadata on these tags.
- `version_analysis.json`: Similar to `tag_versions.json`, but with additional filtering applied.
- `versiondiff_analysis.json`: Contains syntactical change statistics for each version bump in the role repositories.
- `structural_diff_analysis.json`: Contains structural change statistics for each version bump in the role repositories.
- `struct_diff_cache.zip`: Directory containing per-role diff statistics, primarily used for caching during the pipeline.
- `metrics_diffs_releases.csv`: CSV containing the structural diff statistics merged with the bump type of the version increments.
- `reports.zip`: Graphs and charts describing some of the output of the pipeline, as well as CSVs containing raw data.
- `version.json`: The version of the dataset structure.


Software and Tools


Tools to gather, extract, and process this data can be found separately at https://zenodo.org/record/4040647.
DOI: 10.34622/datarepositorium/xz82h6
title: S2_Plano_006

description: Desenho vetorial do Plano 006 da sondagem 2 da escavação do Alto das Malhadas a partir das Ortofotos georreferenciadas à escala. As ortofotos foram produzidas com base nos modelos 3D de cada plano de escavação, resultantes de levantamentos fotogramétricos.
DOI: 10.15468/dl.jhzj9y
title: Occurrence Download

description: A dataset listing the 4362 species recorded in GBIF matching the query:
{
 "DatasetKey" : [
 "is Dutch Vegetation Database"
 ]
}

 The dataset's 4362 records were derived from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017004-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xmrkdd
title: Occurrence Download

description: A dataset containing 13 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Anoplophora glabripennis (Motschulsky, 1854)",
 "Country is Canada",
 "Year is greater than or equal to 1500"
 ]
}

 The dataset includes 13 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017029-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.v8ek8e
title: Occurrence Download

description: A dataset containing 28 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Lates calcarifer (Bloch, 1790)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 28 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017028-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34622/datarepositorium/qv4aij
title: S2_Plano_005

description: Desenho vetorial do Plano 005 da sondagem 2 da escavação do Alto das Malhadas a partir das Ortofotos georreferenciadas à escala. As ortofotos foram produzidas com base nos modelos 3D de cada plano de escavação, resultantes de levantamentos fotogramétricos.
DOI: 10.15468/dl.qnnqdr
title: Occurrence Download

description: A dataset containing 1761 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Absent",
 "TaxonKey is Bubo bubo (Linnaeus, 1758)",
 "Year 2000-2024"
 ]
}

 The dataset includes 1761 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017030-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34622/datarepositorium/c5eysm
title: S2_Plano_004

description: Desenho vetorial do Plano 004 da sondagem 2 da escavação do Alto das Malhadas a partir das Ortofotos georreferenciadas à escala. As ortofotos foram produzidas com base nos modelos 3D de cada plano de escavação, resultantes de levantamentos fotogramétricos.
DOI: 10.15468/dl.xxkw4d
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Labrax japonicus Cuvier, 1828",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017031-241126133413365/datasets/export for details.
DOI: 10.15468/dl.w9f5cy
title: Occurrence Download

description: A dataset containing 12968 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Vitis riparia Michx., Vitis vulpina var. syrticola Fernald & Wiegand, Vitis rubra Desf., Vitis incisa Jacq., Vitis columbina Raf., Vitis odoratissima Donn, Vitis illinoensis W.R.Prince, Vitis populifolia Raf., Vitis virginiensis Juss., Vitis riparia var. praecox Engelm., Vitis virginiensis Juss. ex DC., Vitis concolor Raf., Vitis cordifolia Darlingt., Vitis montana Raf., Vitis dimidiata Raf., Vitis riparia var. praecox Engelm. ex L.H.Bailey, Vitis riparia var. syrticola (Fernald & Wiegand) Fernald, Vitis vinifera var. riparia (Michx.) Kuntze, Vitis cordifolia var. riparia (Michx.) A.Gray, Vitis vinifera f. riparia (Michx.) Kuntze, Vitis vulpina var. riparia (Michx.) Regel, Vitis vulpina subsp. riparia (Michx.) R.T.Clausen, Vitis vulpina var. praecox (Engelm. ex L.H.Bailey) L.H.Bailey)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2000"
 ]
}

 The dataset includes 12968 records from 187 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017032-241126133413365/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.cc1yxj8n
title: CCDC 1814872: Experimental Crystal Structure Determination

description: Related Article: Bin-Bin Gao, Min Zhang, Xu-Ran Chen, Da-Liang Zhu, Hong Yu, Wen-Hua Zhang, Jian-Ping Lang|2018|Dalton Trans.|47|5780|doi:10.1039/C8DT00695D
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.cc1yxjbq
title: CCDC 1814874: Experimental Crystal Structure Determination

description: Related Article: Lu Feng, Hong Zhou|2018|Aust.J.Chem.|71|863|doi:10.1071/CH18304
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.cc1p51ws
title: CCDC 1553995: Experimental Crystal Structure Determination

description: Related Article: Dong-Hui Chen, Ling Lin, Tian-Lu Sheng, Yue-Hong Wen, Xiao-Quan Zhu, Lin-Tao Zhang, Sheng-Min Hu, Rui-Biao Fu, Xin-Tao Wu|2018|New J.Chem.|42|2830|doi:10.1039/C7NJ04048B
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.cc1yxjcr
title: CCDC 1814875: Experimental Crystal Structure Determination

description: Related Article: Xiaohong Chen,  Guangfan Zheng,  Guoyong Song,  Xingwei Li|2018|Adv.Synth.Catal.|360|2836|doi:10.1002/adsc.201800326
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.cc1p51xt
title: CCDC 1553996: Experimental Crystal Structure Determination

description: Related Article: Dong-Hui Chen, Ling Lin, Tian-Lu Sheng, Yue-Hong Wen, Xiao-Quan Zhu, Lin-Tao Zhang, Sheng-Min Hu, Rui-Biao Fu, Xin-Tao Wu|2018|New J.Chem.|42|2830|doi:10.1039/C7NJ04048B
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.cc1p51zw
title: CCDC 1553998: Experimental Crystal Structure Determination

description: Related Article: Dong-Hui Chen, Ling Lin, Tian-Lu Sheng, Yue-Hong Wen, Xiao-Quan Zhu, Lin-Tao Zhang, Sheng-Min Hu, Rui-Biao Fu, Xin-Tao Wu|2018|New J.Chem.|42|2830|doi:10.1039/C7NJ04048B
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.cc1p51yv
title: CCDC 1553997: Experimental Crystal Structure Determination

description: Related Article: Dong-Hui Chen, Ling Lin, Tian-Lu Sheng, Yue-Hong Wen, Xiao-Quan Zhu, Lin-Tao Zhang, Sheng-Min Hu, Rui-Biao Fu, Xin-Tao Wu|2018|New J.Chem.|42|2830|doi:10.1039/C7NJ04048B
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.cc1p520y
title: CCDC 1553999: Experimental Crystal Structure Determination

description: Related Article: Dong-Hui Chen, Ling Lin, Tian-Lu Sheng, Yue-Hong Wen, Xiao-Quan Zhu, Lin-Tao Zhang, Sheng-Min Hu, Rui-Biao Fu, Xin-Tao Wu|2018|New J.Chem.|42|2830|doi:10.1039/C7NJ04048B
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.cc1yxjw8
title: CCDC 1814891: Experimental Crystal Structure Determination

description: Related Article: Nazarii Sabat, Lenka Poštová Slavětínská, Blanka Klepetářová, Michal Hocek|2018|ACS Omega|3|4674|doi:10.1021/acsomega.8b00520
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.cc1p521z
title: CCDC 1554000: Experimental Crystal Structure Determination

description: Related Article: Dong-Hui Chen, Ling Lin, Tian-Lu Sheng, Yue-Hong Wen, Xiao-Quan Zhu, Lin-Tao Zhang, Sheng-Min Hu, Rui-Biao Fu, Xin-Tao Wu|2018|New J.Chem.|42|2830|doi:10.1039/C7NJ04048B
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.cc1p5220
title: CCDC 1554001: Experimental Crystal Structure Determination

description: Related Article: Dong-Hui Chen, Ling Lin, Tian-Lu Sheng, Yue-Hong Wen, Xiao-Quan Zhu, Lin-Tao Zhang, Sheng-Min Hu, Rui-Biao Fu, Xin-Tao Wu|2018|New J.Chem.|42|2830|doi:10.1039/C7NJ04048B
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.cc1yxl5m
title: CCDC 1814931: Experimental Crystal Structure Determination

description: Related Article: Kuldeep Chand,  Cheng-Long Tsai,  Hsuan-Ying Chen,  Wei-Min Ching,  Sung-Po Hsu,  James R. Carey,  Sodio C. N. Hsu|2018|Eur.J.Inorg.Chem.|2018|1093|doi:10.1002/ejic.201701383
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.cc1yxl6n
title: CCDC 1814932: Experimental Crystal Structure Determination

description: Related Article: Kuldeep Chand,  Cheng-Long Tsai,  Hsuan-Ying Chen,  Wei-Min Ching,  Sung-Po Hsu,  James R. Carey,  Sodio C. N. Hsu|2018|Eur.J.Inorg.Chem.|2018|1093|doi:10.1002/ejic.201701383
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.cc1yxl7p
title: CCDC 1814933: Experimental Crystal Structure Determination

description: Related Article: Kuldeep Chand,  Cheng-Long Tsai,  Hsuan-Ying Chen,  Wei-Min Ching,  Sung-Po Hsu,  James R. Carey,  Sodio C. N. Hsu|2018|Eur.J.Inorg.Chem.|2018|1093|doi:10.1002/ejic.201701383
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.cc1yxl8q
title: CCDC 1814934: Experimental Crystal Structure Determination

description: Related Article: Kuldeep Chand,  Cheng-Long Tsai,  Hsuan-Ying Chen,  Wei-Min Ching,  Sung-Po Hsu,  James R. Carey,  Sodio C. N. Hsu|2018|Eur.J.Inorg.Chem.|2018|1093|doi:10.1002/ejic.201701383
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.cc1yxk1g
title: CCDC 1814896: Experimental Crystal Structure Determination

description: Related Article: Zhengyu Lu, Yuanting Cai, Yuanqing Wei, Qin Lin, Jiangxi Chen, Xumin He, Shunhua Li, Weitai Wu, Haiping Xia|2018|Polym.Chem.|9|2092|doi:10.1039/C8PY00176F
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.cc1yxk3j
title: CCDC 1814898: Experimental Crystal Structure Determination

description: Related Article: Zhengyu Lu, Yuanting Cai, Yuanqing Wei, Qin Lin, Jiangxi Chen, Xumin He, Shunhua Li, Weitai Wu, Haiping Xia|2018|Polym.Chem.|9|2092|doi:10.1039/C8PY00176F
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/cc13qywn
title: CCDC 1034962: Experimental Crystal Structure Determination

description: Related Article: Véronique Guerchais|2014|CSD Communication|||
description: Related Article: Claus Hierlinger, Elzbieta Trzop, Loïc Toupet, Jorge Ávila, Maria-Grazia La-Placa, Henk J. Bolink, Véronique Guerchais, Eli Zysman-Colman|2018|J.Mater.Chem.C|6|6385|doi:10.1039/C8TC01130C
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.