cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.cn7k5j
title: Occurrence Download

description: A dataset containing 251 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 "Country is one of (Benin, Togo, Niger, Nigeria, Burkina Faso, Ghana, Côte d’Ivoire)",
 "TaxonKey is Marsilea"
 ]
}

 The dataset includes 251 records from 34 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045285-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17883397
title: Integrated Mathematical Modeling of Epigenetic-Wnt-Notch Crosstalk in Mesenchymal Stem Cell Differentiation: A Stochastic Framework with Gillespie Simulations for Precision Regenerative, Oncotherapeutic, Cardiovascular, and Hepatobiliary Applications

description: The intricate bidirectional crosstalk between Wnt and Notch signaling pathways, modulated by epigenetic mechanisms, plays a crucial role in regulating mesenchymal stem cell (MSC) differentiation and maintaining tissue homeostasis. This study introduces the Shibah Epigenetic Feedback Model (SEFM 2.0), an advanced stochastic ordinary differential equation (SODE) framework integrated with the Gillespie stochastic simulation algorithm (SSA) and Bayesian inference to quantitatively characterize this crosstalk in MSCs. The model is calibrated using empirical transcriptomic data from NCBI GEO dataset GSE104548, which profiles rat bone marrow-derived MSCs undergoing neural transdifferentiation induced by epidermal growth factor (EGF), basic fibroblast growth factor (bFGF), and insulin-like growth factor-1 (IGF-1), identifying 3,252 differentially expressed genes. Supplemented by ENCODE epigenomic annotations and GTEx expression quantitative trait loci (eQTLs), SEFM 2.0 exhibits high predictive accuracy. Stochastic simulations reveal microenvironmental noise impacts, projecting a 12--18% enhancement in regenerative potential via CRISPR-dCas9-mediated epigenetic interventions. Therapeutic implications extend to targeting glioma stem cells, ameliorating ischemic cardiomyopathy, and treating hepatobiliary conditions such as fibrosis and cirrhosis. Reproducible Python code, accompanied by 95% posterior credible intervals, ensures model falsifiability and verifiability. This integrative approach combines molecular techniques (e.g., RNA-seq, CRISPR-Cas9) with rigorous computational modeling, providing actionable strategies for neurodegeneration, osteoarthritis, oncogenesis, cardiovascular disorders, and liver pathologies, in alignment with Molecular Biology Reports standards.
DOI: 10.11582/2025.prm9am5n
title: Forcing for PROTECT Greenland ice sheet projections

description: This dataset contains surface mass balance and temperature forcing for Greenland ice sheet simulations performed under European project PROTECT (https://protect-slr.eu/). The data is provided in the same netcdf format as used for ISMIP6 (https://www.ismip.org/).
DOI: 10.15468/dl.ay47bc
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((104.344 -3.07383, 104.273636 -3.079395, 104.205002 -3.095951, 104.139787 -3.123092, 104.079594 -3.160151, 104.025905 -3.206215, 103.98004 -3.260152, 103.94313 -3.320635, 103.916084 -3.386175, 103.89957 -3.45516, 103.893996 -3.525891, 103.899503 -3.596627, 103.915956 -3.665627, 103.942954 -3.731191, 103.979833 -3.791703, 104.025687 -3.845673, 104.079387 -3.891771, 104.139611 -3.928859, 104.204875 -3.956024, 104.273569 -3.972596, 104.344 -3.978165, 104.414431 -3.972596, 104.483125 -3.956024, 104.548389 -3.928859, 104.608613 -3.891771, 104.662313 -3.845673, 104.708167 -3.791703, 104.745046 -3.731191, 104.772044 -3.665627, 104.788497 -3.596627, 104.794004 -3.525891, 104.78843 -3.45516, 104.771916 -3.386175, 104.74487 -3.320635, 104.70796 -3.260152, 104.662095 -3.206215, 104.608406 -3.160151, 104.548213 -3.123092, 104.482998 -3.095951, 104.414364 -3.079395, 104.344 -3.07383))"},{"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/0045286-251120083545085/datasets/export for details.
DOI: 10.25574/27700
title: Chandra X-ray Observatory ObsId 27700

description: The X-Ray Gas-to-Dust Abundance Ratio of Silicon towards the Galactic Bulge
DOI: 10.5281/zenodo.17883417
title: Energy, Force, Momentum in CRVD

description: In CRVD, all physical interactions are traced backto the imposition or restructuring of volume density within the foundational structure of existence.
DOI: 10.5281/zenodo.17883418
title: Energy, Force, Momentum in CRVD

description: In CRVD, all physical interactions are traced backto the imposition or restructuring of volume density within the foundational structure of existence.
DOI: 10.15468/dl.cs898u
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Lygdamis indicus",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 11 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045287-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.89pqs9
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((103.703 -3.05483, 103.632637 -3.060395, 103.564005 -3.076951, 103.498791 -3.104092, 103.438599 -3.141151, 103.38491 -3.187215, 103.339047 -3.241152, 103.302138 -3.301635, 103.275092 -3.367175, 103.258579 -3.43616, 103.253005 -3.506891, 103.258512 -3.577628, 103.274965 -3.646628, 103.301963 -3.712191, 103.338841 -3.772704, 103.384694 -3.826674, 103.438393 -3.872771, 103.498616 -3.909859, 103.563878 -3.937024, 103.63257 -3.953596, 103.703 -3.959165, 103.77343 -3.953596, 103.842122 -3.937024, 103.907384 -3.909859, 103.967607 -3.872771, 104.021306 -3.826674, 104.067159 -3.772704, 104.104037 -3.712191, 104.131035 -3.646628, 104.147488 -3.577628, 104.152995 -3.506891, 104.147421 -3.43616, 104.130908 -3.367175, 104.103862 -3.301635, 104.066953 -3.241152, 104.02109 -3.187215, 103.967401 -3.141151, 103.907209 -3.104092, 103.841995 -3.076951, 103.773363 -3.060395, 103.703 -3.05483))"},{"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/0045288-251120083545085/datasets/export for details.
DOI: 10.15468/dl.sqpke7
title: Occurrence Download

description: A dataset containing 59770 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tracheophyta",
 "DecimalLatitude is greater than or equal to 34.085278",
 "DecimalLatitude is less than or equal to 39.085278",
 "DecimalLongitude is greater than or equal to 15.0",
 "DecimalLongitude is less than or equal to 20.0",
 "HasCoordinate is TRUE",
 "HasGeospatialIssue is FALSE"
 ]
}

 The dataset includes 59770 records from 124 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045260-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tpgqvw
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Pectinaria papillosa",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045289-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ucdhvq
title: Occurrence Download

description: A dataset containing 17 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Crenicichla tuca"
 ]
}

 The dataset includes 17 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045290-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mb5z9y
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((104.94 -3.05383, 104.869637 -3.059395, 104.801005 -3.075951, 104.735791 -3.103092, 104.675599 -3.140151, 104.621911 -3.186215, 104.576047 -3.240152, 104.539138 -3.300635, 104.512093 -3.366175, 104.495579 -3.43516, 104.490006 -3.505891, 104.495512 -3.576628, 104.511966 -3.645628, 104.538963 -3.711192, 104.575842 -3.771704, 104.621695 -3.825674, 104.675394 -3.871771, 104.735616 -3.908859, 104.800878 -3.936024, 104.869571 -3.952596, 104.94 -3.958165, 105.010429 -3.952596, 105.079122 -3.936024, 105.144384 -3.908859, 105.204606 -3.871771, 105.258305 -3.825674, 105.304158 -3.771704, 105.341037 -3.711192, 105.368034 -3.645628, 105.384488 -3.576628, 105.389994 -3.505891, 105.384421 -3.43516, 105.367907 -3.366175, 105.340862 -3.300635, 105.303953 -3.240152, 105.258089 -3.186215, 105.204401 -3.140151, 105.144209 -3.103092, 105.078995 -3.075951, 105.010363 -3.059395, 104.94 -3.05383))"},{"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 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045291-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jzutxr
title: Occurrence Download

description: A dataset containing 61 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Phyllocomus hiltoni",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 61 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045294-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7yd6nx
title: Occurrence Download

description: A dataset containing 18347 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Aluterus monoceros"
 ]
}

 The dataset includes 18347 records from 191 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045293-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5tkugc
title: Occurrence Download

description: A dataset containing 30761 species occurrences available in GBIF matching the query:
{
 "and" : [
 "SpeciesKey is Vespa velutina",
 "Year is one of (2024, 2025)",
 "HasCoordinate is true",
 "Geometry POLYGON((3.5 43.5, 12.5 43.5, 12.5 50.5, 3.5 50.5, 3.5 43.5))"
 ]
}

 The dataset includes 30761 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045292-251120083545085/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.cc2jy4d1
title: CCDC 2351703: Experimental Crystal Structure Determination

description: Related Article: Shipeng Guo, Yipei Liu, Chenchen Lin, Lingfeng Xie, Xiaoyi Yi, Piao He|2025|Dalton Trans.|54|17078|doi:10.1039/d5dt01953b
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.cc2jydmj
title: CCDC 2351958: Experimental Crystal Structure Determination

description: Related Article: Shipeng Guo, Yipei Liu, Chenchen Lin, Lingfeng Xie, Xiaoyi Yi, Piao He|2025|Dalton Trans.|54|17078|doi:10.1039/d5dt01953b
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.cc2mbgfw
title: CCDC 2423128: Experimental Crystal Structure Determination

description: Related Article: Michaela Drozdová, Martin Havlík, Filip Hládek, Jan Čejka, Tereza Navrátilová, Ameneh Tatar, Bohumil Dolenský|2026|J.Mol.Struct.|1353||doi:10.1016/j.molstruc.2025.144454
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.cc2mhktj
title: CCDC 2428038: Experimental Crystal Structure Determination

description: Related Article: Krishnapriya Radhakrishnan, Sekar Gayathri, Priya Raj Murugesan, Jagathesan Thamayenthiri Yuvaraj, Arulraj Bhavadharini, Kittusamy Senthilkumar, Jan Grzegorz Małecki, Paranthaman Vijayan, Periasamy Viswanathamurthi|2026|J.Mol.Struct.|1353||doi:10.1016/j.molstruc.2025.144756
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: 10.5281/zenodo.17306926
title: Laser-Induced Iron Doping of Spinel Thin Film Electrocatalyst: Impact of Pulsed Laser Processing on Lateral Cobalt Oxide Doping and Oxygen Evolution Reaction Activity

description: Laser-based synthesis of heterogeneous catalysts enables the scalable production of highly pure, defect-rich nanoparticles through kinetic control.1 Recently, pulsed laser defect engineering in liquids (PUDEL) was developed to tailor cation occupancy in spinel nanoparticles with single-pulse precision, using a liquid jet to deliver particles into a repetition-rate-matched laser beam.2 While PUDEL has been successfully applied to nanoparticle suspensions, its transfer to thin film catalysts remained unexplored. Here, we apply PUDEL to cobalt oxide thin films using iron-containing liquids to investigate pulse-dependent Fe doping. Iron cations are kinetically incorporated into the spinel surface from the liquid phase at millimolar concentration, pulse by pulse. The doping depth, characterized by Time-of-Flight Secondary Ion Mass Spectrometry (TOF-SIMS), scales with the number of laser pulses and directly influences electrocatalytic oxygen evolution activity. We identify an optimum at three laser pulses, where Fe incorporation significantly enhances catalytic performance, consistent with earlier findings in nanoparticle powders. This demonstrates that PUDEL enables precise surface doping of Co3O4 thin films, offering an alternative to conventional bulk doping strategies. Our results highlight the potential of surface-selective, laser-assisted methods to rationally design active sites in spinel-type electrocatalysts.
description: This dataset contains Scanning Electrochemical Cell Microscopy (SECCM) measurement data, associated metadata (all figures used in the manuscript, supporting information in folders), and MATLAB scripts for data processing and analysis.
DOI: 10.5281/zenodo.17306927
title: Laser-Induced Iron Doping of Spinel Thin Film Electrocatalyst: Impact of Pulsed Laser Processing on Lateral Cobalt Oxide Doping and Oxygen Evolution Reaction Activity

description: Laser-based synthesis of heterogeneous catalysts enables the scalable production of highly pure, defect-rich nanoparticles through kinetic control.1 Recently, pulsed laser defect engineering in liquids (PUDEL) was developed to tailor cation occupancy in spinel nanoparticles with single-pulse precision, using a liquid jet to deliver particles into a repetition-rate-matched laser beam.2 While PUDEL has been successfully applied to nanoparticle suspensions, its transfer to thin film catalysts remained unexplored. Here, we apply PUDEL to cobalt oxide thin films using iron-containing liquids to investigate pulse-dependent Fe doping. Iron cations are kinetically incorporated into the spinel surface from the liquid phase at millimolar concentration, pulse by pulse. The doping depth, characterized by Time-of-Flight Secondary Ion Mass Spectrometry (TOF-SIMS), scales with the number of laser pulses and directly influences electrocatalytic oxygen evolution activity. We identify an optimum at three laser pulses, where Fe incorporation significantly enhances catalytic performance, consistent with earlier findings in nanoparticle powders. This demonstrates that PUDEL enables precise surface doping of Co3O4 thin films, offering an alternative to conventional bulk doping strategies. Our results highlight the potential of surface-selective, laser-assisted methods to rationally design active sites in spinel-type electrocatalysts.
description: This dataset contains Scanning Electrochemical Cell Microscopy (SECCM) measurement data, associated metadata (all figures used in the manuscript, supporting information in folders), and MATLAB scripts for data processing and analysis.
DOI: 10.5517/ccdc.csd.cc2lq6bw
title: CCDC 2404618: Experimental Crystal Structure Determination

description: Related Article: John A. Kelly,  Arseni Kostenko,  Shigeyoshi Inoue|2025|Nat. Synth.|||doi:10.1038/s44160-025-00874-9
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.cc2mkbsb
title: CCDC 2429742: Experimental Crystal Structure Determination

description: Related Article: Krishnapriya Radhakrishnan, Sekar Gayathri, Priya Raj Murugesan, Jagathesan Thamayenthiri Yuvaraj, Arulraj Bhavadharini, Kittusamy Senthilkumar, Jan Grzegorz Małecki, Paranthaman Vijayan, Periasamy Viswanathamurthi|2026|J.Mol.Struct.|1353||doi:10.1016/j.molstruc.2025.144756
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.ua9774
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((116.167 -3.04383, 116.096638 -3.049395, 116.028006 -3.065951, 115.962793 -3.093092, 115.902602 -3.130151, 115.848914 -3.176216, 115.803051 -3.230153, 115.766142 -3.290635, 115.739097 -3.356176, 115.722584 -3.42516, 115.717011 -3.495892, 115.722517 -3.566628, 115.73897 -3.635628, 115.765968 -3.701192, 115.802846 -3.761704, 115.848698 -3.815674, 115.902397 -3.861771, 115.962619 -3.89886, 116.02788 -3.926024, 116.096571 -3.942596, 116.167 -3.948166, 116.237429 -3.942596, 116.30612 -3.926024, 116.371381 -3.89886, 116.431603 -3.861771, 116.485302 -3.815674, 116.531154 -3.761704, 116.568032 -3.701192, 116.59503 -3.635628, 116.611483 -3.566628, 116.616989 -3.495892, 116.611416 -3.42516, 116.594903 -3.356176, 116.567858 -3.290635, 116.530949 -3.230153, 116.485086 -3.176216, 116.431398 -3.130151, 116.371207 -3.093092, 116.305994 -3.065951, 116.237362 -3.049395, 116.167 -3.04383))"},{"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 5 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045296-251120083545085/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.cc2mm6wc
title: CCDC 2431543: Experimental Crystal Structure Determination

description: Related Article: Qian Xu,  Jingyang Shi,  Thomas R. Hoye|2025|Nat. Synth.|||doi:10.1038/s44160-025-00899-0
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.cc2mphjc
title: CCDC 2433733: Experimental Crystal Structure Determination

description: Related Article: Lei Peng, Yu Chang, Shujun Tong, Wenling Qin, Gianpiero Cera, Hailong Yan|2025|Angew.Chem.,Int.Ed.|64|e202518659|doi:10.1002/anie.202518659
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.