cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25549/pcra-c14-207008
title: 1975 - Acting in faith
DOI: 10.15468/dl.2p4qrs
title: Occurrence Download

description: A dataset containing 4192 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Falco cherrug J.E.Gray, 1834)",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation)",
 "Year is greater than or equal to 1970",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 4192 records from 59 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011529-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-207124
title: 1985 - Soviet Constitution
DOI: 10.15468/dl.afeugx
title: Occurrence Download

description: A dataset containing 612 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Euphorbia supina Raf."
 ]
}

 The dataset includes 612 records from 44 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0343311-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kj7ry9
title: Occurrence Download

description: A dataset containing 235 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Asclepias lemmonii A.Gray"
 ]
}

 The dataset includes 235 records from 32 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0059750-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-207215
title: 1985 - Soviet Constitution
DOI: 10.15468/dl.7pg53k
title: Occurrence Download

description: A dataset containing 171233 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cerastium arvense L."
 ]
}

 The dataset includes 171233 records from 740 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0338854-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.93hv7x
title: Occurrence Download

description: A dataset containing 704 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 "Country is one of (Côte d’Ivoire, Ghana, Guinea)",
 "TaxonKey is Elaeis guineensis Jacq."
 ]
}

 The dataset includes 704 records from 35 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012378-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tsxxey
title: Occurrence Download

description: A dataset containing 81 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eudyptes moseleyi Mathews & Iredale, 1921",
 "HasCoordinate is true",
 "DecimalLatitude is greater than -90",
 "DecimalLatitude is less than 10",
 "DecimalLongitude is greater than -180",
 "OccurrenceStatus is Present",
 "Year is greater than or equal to 1950",
 "Year is less than or equal to 2014"
 ]
}

 The dataset includes 81 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012379-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pjcttf
title: Occurrence Download

description: A dataset containing 991 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tragopan caboti (Gould, 1857)"
 ]
}

 The dataset includes 991 records from 49 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012373-250402121839773/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.27966855
title: Didactyl therizinosaur with a preserved keratinous claw from the Late Cretaceous of Mongolia

description: Therizinosaurs were a group of herbivorous/omnivorous theropod dinosaurs that lived in Asia and North America during the Cretaceous Period. These theropods are notable for their three-fingered hands sporting large claw-like unguals. Here, we describe a new and unusual species of the therizinosaurid <i>Duonychus tsogtbaatari</i>, recovered from the lower Upper Cretaceous Bayanshiree Formation of the Gobi Desert of Mongolia. This species is different from other therizinosaurs in that the hand possesses only two fingers, rather than three fingers, the typical condition for Avetheropoda, providing further insight into forelimb/hand reduction among theropods. Phylogenetically, <i>Duonychus</i> reveals a broader but still limited appearance of didactyly among avetheropodans. The manual ungual of <i>Duonychus tsogtbaatari</i> also preserves a nearly complete three-dimensional structure covering the ungual of the left manual digit I, which represents a keratinous manual claw. The strong curvature of this large claw and high ungual flexion indicate that <i>Duonychus</i> was likely amplectorial (grasping) and an effective grasper of vegetation, despite having only two functional fingers.
DOI: 10.35097/ctvuj6dgzepzmk0g
title: Part series dataset of milling processes for time series prediction

description: Ziel des Datensatzes ist das Training und die Validierung von Modellen zur Vorhersage von Zeitreihen für Fräsprozesse. Dazu wurden an einer DMC 60H Prozesse mit einer Abtastrate von 500 Hz durch eine Siemens Industrial Edge aufgezeichnet und in einer JSON-Datei gespeichert. Die Maschine wurde steuerungstechnisch nachgerüstet und mit Kraftsensoren (Kistler 9255C) zur Erfassung der Prozesskräfte ausgestattet. Die Kräfte wurden mit einer Abtastrate von 10 kHz aufgezeichnet und in einer Matlab-Datei gespeichert. Insgesamt wurden drei verschiedene Geometrien abgebildet, ein Zahnrad, eine Nut und die Form einer Adapterplatte. Diese wurden sowohl für die Bearbeitung von Stahl als auch von Aluminium verwendet. Zusätzlich wurden für jede der drei Grundgeometrien Variationen im Prozess durchgeführt, indem die Eingriffstiefe, die Geschwindigkeit sowie die Spindeldrehzahl (siehe NC-Codes) verändert wurden.
description: The aim of the dataset is the training and validation of models for the prediction of time series for milling processes. For this purpose, processes were recorded on a DMC 60H with a sampling rate of 500 Hz by a Siemens Industrial Edge and saved in a JSON file. The machine was retrofited and equipped with force sensors (Kistler 9255C). The forces were recorded at a sampling rate of 10 kHz and saved in a Matlab file. A total of three different geometries were milled, a gear, a notch and a plate. These were used for the machining of both steel and aluminium. In addition, variations were made in the process for each of the three basic geometries by changing the depth of cut, the feedrate and the spindle speed (see NC codes).
description: Documents:
-Design of Experiments: Information about the toolpaths and technological Parameters of the experiments
-Recording information: Information about the recordings with comments
-Data: All recorded datasets. The first level contains the folders sorted by material. In the next level, the individual executions are located. The individual recordings are stored in the form of a JSON (internal machine data) and a Matlab file (external force sensors). These consist of a header with all relevant information such as the signal sources followed by the entries of the recorded time series.
-NC-Code: NC programs executed on the machine
-Tools: Product informations of tools used
-Workpieces: Pictures of the workpieces

Experimental data:
-Machine: Retrofitted DMC 60H
-Material: S235JR, AL 2007 T4
-Tools:
 -VHM-Fräser HPC, TiSi, ⌀ f8 DC: 10mm
 -Schaftfräser HSS-Co8, TiAlN, ⌀ k10 DC: 10mm
-Workpiece blank dimensions: 150x75x50mm

License: This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License (CC BY-NC-ND 4.0).
DOI: 10.15468/dl.uwnhmf
title: Occurrence Download

description: A dataset containing 99975 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Gnetopsida"
 ]
}

 The dataset includes 99975 records from 982 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012351-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17909/fppb-3m14
title: NIRCam images in GOODS-S, GOODS-N, COSMOS, and UDS

description: JWST NIRCam images in GOODS-S, GOODS-N, COSMOS, and UDS fields to make image mosaics.
DOI: 10.17632/hcytmbcngg.1
title: Research data for the research article "Vortex ratchet effect in superconductor open nanotubes and nanopetals"

description: Research data underlying research article arXiv:2407.20780 "Vortex ratchet effect in superconductor open nanotubes and nanopetals" by I. Bogush, R. H. de Bragança, V. M. Fomin, O. V. Dobrovolskiy, obtained in the Cryogenic Quantum Electronics Division, EMG and LENA, TU Braunschweig, as part of the CA project "3DSuper" within the EXC-2123 QuantumFrontiers 390837967 funded by the German Research Foundation (DFG)
DOI: 10.17632/dpj3cch4s3.1
title: Steatocystoma Multiplex as an Association of Hidradenitis Suppurativa: A Systematic Review

description: Supplementary Table 1
DOI: 10.15468/dl.nq5f9c
title: Occurrence Download

description: A dataset containing 2943 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Corydalis nobilis (L.) Pers.)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Living Specimen, Machine Observation, Literature Occurrence)",
 "Geometry POLYGON((-180 -90,180 -90,180 90,-180 90,-180 -90))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1945"
 ]
}

 The dataset includes 2943 records from 42 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012382-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6jvecj
title: Occurrence Download

description: A dataset containing 8380 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Ophiogomphus cecilia (Geoffroy, 1785), Ophiogomphus cecilia (Fourcroy, 1785))",
 "Year is not null",
 "Year is one of (2010, 2011, 2012, 2013, 2014, 2015, 2016, 2017, 2018, 2019, 2020, 2021, 2022, 2023)",
 "HasCoordinate is TRUE",
 "DecimalLatitude is greater than or equal to 44.95782311925129",
 "DecimalLatitude is less than or equal to 58.30331634439415",
 "DecimalLongitude is greater than or equal to -10.001896207643075",
 "DecimalLongitude is less than or equal to 30.31691447027875",
 "OccurrenceStatus is Present",
 "HasGeospatialIssue is FALSE"
 ]
}

 The dataset includes 8380 records from 95 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012391-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.23c4vm
title: Occurrence Download

description: A dataset containing 152701 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "TaxonKey is Lolium perenne L.",
 "Year is less than or equal to 2000",
 "Year is greater than or equal to 1970",
 {
 "or" : [
 {
 "not" : {
 "EstablishmentMeans" : [
 "is one of (MANAGED, INTRODUCED)"
 ]
 }
 },
 "EstablishmentMeans is null"
 ]
 },
 {
 "or" : [
 "CoordinateUncertaintyInMeters is less than 1000",
 "CoordinateUncertaintyInMeters is null"
 ]
 }
 ]
}

 The dataset includes 152701 records from 450 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012374-250402121839773/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.cc2fg88g
title: CCDC 2248035: Experimental Crystal Structure Determination

description: Related Article: Constantine V Milyutin, Andrey Nikolaevich Komogortsev, Boris V Lichitsky, Mikhail E Minyaev, Valeriya G Melekhina|2023|Beilstein J.Org.Chem.|19|778|doi:10.3762/bjoc.19.58
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.cc2fg89h
title: CCDC 2248036: Experimental Crystal Structure Determination

description: Related Article: Zhongjun Gao,  Haifeng Zhang|2023|Z.Kristallogr.-New Cryst.Struct.|238|627|doi:10.1515/ncrs-2023-0124
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.cc2fghm1
title: CCDC 2248263: Experimental Crystal Structure Determination

description: Related Article: Philippe Ochsenbein, Michel Bonin, Farzaneh Fadaei-Tirani, Marie-Hélène Lemée, Jérôme Kieffer, Daniel Görl, Mohamed El-Hajji, Kurt Schenk-Joß|2024|CrystEngComm|26|4566|doi:10.1039/d3ce01172k
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.cc2fghn2
title: CCDC 2248264: Experimental Crystal Structure Determination

description: Related Article: Philippe Ochsenbein, Michel Bonin, Farzaneh Fadaei-Tirani, Marie-Hélène Lemée, Jérôme Kieffer, Daniel Görl, Mohamed El-Hajji, Kurt Schenk-Joß|2024|CrystEngComm|26|4566|doi:10.1039/d3ce01172k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2fg9qy
title: CSD 2248080: Experimental Crystal Structure Determination

description: Related Article: Dayu Huang, Pan Zheng, Ziyong Cheng, Qianqian Yang, Youchao Kong, Qiuyun Ouyang, Hongzhou Lian, Jun Lin|2023|Inorg.Chem.|62|15943|doi:10.1021/acs.inorgchem.3c02014
description: Related Article: Dayu Huang, Pan Zheng, Ziyong Cheng, Qianqian Yang, Youchao Kong, Qiuyun Ouyang, Hongzhou Lian, Jun Lin|2023|Inorg.Chem.|62|15943|doi:10.1021/acs.inorgchem.3c02014
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fg9ks
title: CCDC 2248075: Experimental Crystal Structure Determination

description: Related Article: Pingqiao Wang,  Yunlong Zhu,  Haixin Ding,  Haiyang Huang|2023|Z.Kristallogr.-New Cryst.Struct.|238|635|doi:10.1515/ncrs-2023-0126
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2fg9rz
title: CSD 2248081: Experimental Crystal Structure Determination

description: Related Article: Dayu Huang, Pan Zheng, Ziyong Cheng, Qianqian Yang, Youchao Kong, Qiuyun Ouyang, Hongzhou Lian, Jun Lin|2023|Inorg.Chem.|62|15943|doi:10.1021/acs.inorgchem.3c02014
description: Related Article: Dayu Huang, Pan Zheng, Ziyong Cheng, Qianqian Yang, Youchao Kong, Qiuyun Ouyang, Hongzhou Lian, Jun Lin|2023|Inorg.Chem.|62|15943|doi:10.1021/acs.inorgchem.3c02014
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fg9t1
title: CCDC 2248083: Experimental Crystal Structure Determination

description: Related Article: Deshun Tian, Yaoyang Liu, Yu Kang, Yue Zhao, Pengcheng Li, Chao Xu, Li Wang|2023|ACS Cent.Sci.|9|1642|doi:10.1021/acscentsci.3c00504
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.cc2fgb7h
title: CCDC 2248096: Experimental Crystal Structure Determination

description: Related Article: Matvey K. Shurikov, Evgeny V. Tretyakov, Pavel V. Petunin, Darya E. Votkina, Galina V. Romanenko, Artem S. Bogomyakov, Sergi Burguera, Antonio Frontera, Vadim Yu. Kukushkin, Pavel S. Postnikov|2023|CrystEngComm|25|6152|doi:10.1039/D3CE00735A
description: Related Article: Matvey K. Shurikov, Yuliana A. Kolesnikova, Darya E. Votkina, Pavel A. Abramov, Taisiya S. Sukhikh, Galina V. Romanenko, Sergey L. Veber, Dmitry E. Gorbunov, Nina P. Gritsan, Giuseppe Resnati, Evgeny V. Tretyakov, Vadim Yu. Kukushkin, Pavel S. Postnikov, Pavel V. Petunin|2025|Jiegou Huaxue|44|100653|doi:10.1016/j.cjsc.2025.100653
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.cc2fgb8j
title: CCDC 2248097: Experimental Crystal Structure Determination

description: Related Article: Matvey K. Shurikov, Evgeny V. Tretyakov, Pavel V. Petunin, Darya E. Votkina, Galina V. Romanenko, Artem S. Bogomyakov, Sergi Burguera, Antonio Frontera, Vadim Yu. Kukushkin, Pavel S. Postnikov|2023|CrystEngComm|25|6152|doi:10.1039/D3CE00735A
description: Related Article: Matvey K. Shurikov, Yuliana A. Kolesnikova, Darya E. Votkina, Pavel A. Abramov, Taisiya S. Sukhikh, Galina V. Romanenko, Sergey L. Veber, Dmitry E. Gorbunov, Nina P. Gritsan, Giuseppe Resnati, Evgeny V. Tretyakov, Vadim Yu. Kukushkin, Pavel S. Postnikov, Pavel V. Petunin|2025|Jiegou Huaxue|44|100653|doi:10.1016/j.cjsc.2025.100653
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.cc2fgbfp
title: CCDC 2248102: Experimental Crystal Structure Determination

description: Related Article: Ryoma Kishimoto, Yuka Iwakiri, Kazuhiko Sakaguchi, Takahiro Nishimura|2023|Synthesis|55|2713|doi:10.1055/a-2075-3258
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.cc2dk9mx
title: CCDC 2221169: Experimental Crystal Structure Determination

description: Related Article: Manuel Weh, Asja A. Kroeger, Kazutaka Shoyama, Matthias Grüne, Amir Karton, Frank Würthner|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202301301
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.cc2dk9ny
title: CCDC 2221170: Experimental Crystal Structure Determination

description: Related Article: Manuel Weh, Asja A. Kroeger, Kazutaka Shoyama, Matthias Grüne, Amir Karton, Frank Würthner|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202301301
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.cc2fgby6
title: CCDC 2248118: Experimental Crystal Structure Determination

description: Related Article: Panayiotis Klitou, Emmanuele Parisi, Simone Bordignon, Federica Bravetti, Ian Rosbottom, Marzia Dell’Aera, Corrado Cuocci, Michele R. Chierotti, Angela Altomare, Elena Simone|2023|Cryst.Growth Des.|23|6034|doi:10.1021/acs.cgd.3c00584
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.cc2fgc4f
title: CCDC 2248124: Experimental Crystal Structure Determination

description: Related Article: Mariia Stanitska, Nazariy Pokhodylo, Roman Lytvyn, Ervinas Urbonas, Dmytro Volyniuk, Stepan Kutsiy, Khrystyna Ivaniuk, Vasyl Kinzhybalo, Pavlo Stakhira, Rasa Keruckiene, Mykola Obushak, Juozas Vidas Gražulevičius|2024|ACS Omega|9|14613|doi:10.1021/acsomega.4c01077
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.