cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.31017895.v1
title: <b>Physical activity modifies the association between source-specific noise exposure and chronic pain: A cross-sectional analysis of NHANES 1999–2004</b>

description: Background: Chronic pain is a prevalent public health problem, and environmental noise exposure has been implicated as a potential risk factor. However, evidence remains limited regarding different sources of noise exposure and whether lifestyle factors, such as physical activity, modify the association between noise exposure and chronic pain. Methods: We conducted a cross-sectional analysis of adults aged ≥18 years using data from the National Health and Nutrition Examination Survey (NHANES) 1999–2004. Noise exposure was assessed by self-reported occupational noise exposure, non-occupational noise exposure, and firearms noise exposure. Chronic pain was defined as self-reported pain lasting more than one year. Total physical activity was quantified as metabolic equivalent of task minutes per week (MET-min/week) and categorized into tertiles. Survey-weighted logistic regression models were used to estimate odds ratios (ORs) and 95% confidence intervals (CIs), adjusting for demographic, socioeconomic, behavioral, and clinical covariates. Subgroup analyses and sensitivity analyses were performed to assess the robustness of the findings and potential effect modification. Results: Among 1,869 participants included in the analysis, 790 reported chronic pain. In fully adjusted models, firearms noise exposure was significantly associated with higher odds of chronic pain (OR 1.77, 95% CI 1.25–2.51; P = 0.003), whereas occupational and non-occupational noise exposures were not. Physical activity significantly modified the association between firearms noise exposure and chronic pain (P for interaction = 0.012). Stratified analyses showed that firearms noise exposure was strongly associated with chronic pain among individuals in the lowest physical activity tertile (OR 3.42, 95% CI 2.11–5.55; P &lt; 0.001), but not among those in the middle or highest tertiles. Consistent patterns were observed in analyses of weighted chronic pain prevalence. Conclusion: Firearms noise exposure was associated with chronic pain among U.S. adults, particularly among individuals with low physical activity.
DOI: 10.57702/rai0upa9
title: CASIAv1

description: The dataset used in the paper for image manipulation detection
DOI: 10.57702/35z8vmo8
title: T-4

description: Real datasets extracted from GPS trajectories of 536 cabs in the San Francisco Bay Area over 30 days
DOI: 10.57702/bxtr5t4j
title: RealEstate-10K

description: The dataset used in the paper for training and testing the NeRF model.
DOI: 10.57702/hbdldaol
title: Exploring the Limits of Large Scale Pre-training

description: A dataset for exploring the limits of large-scale pre-training.
DOI: 10.57702/9wft6cds
title: Replay-Attack Database

description: Face authentication is being increasingly used in our daily life for tasks such as phone unlocking, access authentication and face-payment owing to its convenience and high–efﬁciency.
DOI: 10.57702/u6asuyaa
title: UNIHAN

description: The dataset is used to optimize the learning order of Chinese characters.
DOI: 10.15468/dl.scszpc
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Macrophthalmus graeffei",
 "Country is Türkiye",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0064604-250920141307145/datasets/export for details.
DOI: 10.15468/dl.nn4qwx
title: Occurrence Download

description: A dataset containing 74 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Macrophthalmus graeffei",
 "Country is Israel",
 "HasCoordinate is true"
 ]
}

 The dataset includes 74 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0064603-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25850/nioz/7b.b.lk
title: Nutrient, Environmental data and Fluxes of Gradient Sampler in Curacao

description: Coral reefs act as biogeochemical hotspots that regulate nutrient cycling and fluxes in oligotrophic waters, yet quantifying these fluxes in-situ remains challenging. Here we present high-resolution measurements of benthic inorganic nutrient and carbon dynamics, together with prokaryotic abundances, at two Caribbean reef sites with different coral cover. Fluxes were quantified using a gradient sampler coupled with a current sensor to characterize benthic boundary layer hydrodynamics. At the site with 20% coral cover, we observed clear diel cycles in nutrient fluxes closely aligned with reef metabolism: daytime photosynthesis and calcification transitioned to nighttime respiration, producing near-zero net fluxes that suggest efficient nutrient recycling. Mid-day exometabolomic profiles showed a high Gibbs free energy per carbon, reflecting rapid release of reduced organic molecules by benthic primary producers. In contrast, the degraded site (1% coral cover) exhibited no detectable diel cycling and a sustained net release of nutrients from the reef, indicating decoupled production and consumption, with no corresponding changes in Gibbs free energy per carbon. Fluxes at both sites were modulated by tides and current speed, with the highest rates during ebb and flood phases. These results demonstrate that hydrodynamics and benthic cover jointly shape nutrient and carbon cycling, with implications for predicting reef resilience under future change.
DOI: 10.15468/dl.2bfeep
title: Occurrence Download

description: A dataset containing 9240 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is South America",
 "Country is Colombia",
 "Geometry POLYGON((-76.57403 3.14051,-76.39237 3.11067,-76.27605 3.1499,-76.15876 3.99226,-76.13868 4.05441,-75.93409 4.52053,-75.9175 4.60556,-75.88749 4.68315,-75.88922 4.74928,-75.76178 5.02532,-76.02104 4.81832,-76.26603 4.27896,-76.3068 4.15273,-76.34409 4.09853,-76.4199 3.86895,-76.51096 3.51241,-76.57403 3.14051))",
 "HasCoordinate is true",
 "TaxonKey is one of (Mammalia, Amphibia, Reptilia, Reptilia, Reptilia, Reptilia)"
 ]
}

 The dataset includes 9240 records from 64 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011909-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18484635
title: BIZNES REJADA ISHLAB CHIQARISH XARAJATLARI VA DAROMADLAR: IQTISODIY-ILMIY TAHLIL

description: Ushbu maqolada biznes rejalashtirish jarayonida moliyaviy ko‘rsatkichlar – ishlab chiqarish xarajatlari va kutilayotgan daromadlarni prognoz qilishning ilmiy-iqtisodiy asoslari yoritilgan. Tadqiqotda "xarajat inflatsiyasi" va "talab inflatsiyasi" nazariyalarining mahsulot tannarxi hamda korxona rentabelligiga ta’siri tahlil qilingan. Maqola nominal va real daromadlar o‘rtasidagi tafovut, pulning vaqt bo‘yicha qadrsizlanishi hamda inflyatsion kutilmalarning bozordagi talabga ta’sirini o‘rganadi. Shuningdek, iqtisodiy beqarorlik sharoitida moliyaviy xatarlarni boshqarish, importga bog‘liqlikni kamaytirish va investitsion qaytimni to‘g‘ri hisoblash bo‘yicha ilmiy xulosalar keltirilgan.
DOI: 10.5281/zenodo.18484636
title: BIZNES REJADA ISHLAB CHIQARISH XARAJATLARI VA DAROMADLAR: IQTISODIY-ILMIY TAHLIL

description: Ushbu maqolada biznes rejalashtirish jarayonida moliyaviy ko‘rsatkichlar – ishlab chiqarish xarajatlari va kutilayotgan daromadlarni prognoz qilishning ilmiy-iqtisodiy asoslari yoritilgan. Tadqiqotda "xarajat inflatsiyasi" va "talab inflatsiyasi" nazariyalarining mahsulot tannarxi hamda korxona rentabelligiga ta’siri tahlil qilingan. Maqola nominal va real daromadlar o‘rtasidagi tafovut, pulning vaqt bo‘yicha qadrsizlanishi hamda inflyatsion kutilmalarning bozordagi talabga ta’sirini o‘rganadi. Shuningdek, iqtisodiy beqarorlik sharoitida moliyaviy xatarlarni boshqarish, importga bog‘liqlikni kamaytirish va investitsion qaytimni to‘g‘ri hisoblash bo‘yicha ilmiy xulosalar keltirilgan.
DOI: 10.15468/dl.v6qbkt
title: Occurrence Download

description: A dataset containing 316929 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "Country is one of (Germany, Spain, France, Denmark, Portugal, Czechia, Sweden)",
 "OccurrenceStatus is Present",
 "TaxonKey is Alopochen aegyptiaca"
 ]
}

 The dataset includes 316929 records from 458 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011845-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5fn6r5
title: Occurrence Download

description: A dataset containing 184731 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Potamopyrgus antipodarum"
 ]
}

 The dataset includes 184731 records from 508 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011831-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ckts4r
title: Occurrence Download

description: A dataset containing 61 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "Country is one of (Hungary, Sweden, France, Netherlands, Spain, Belgium, Denmark, Germany)",
 "OccurrenceStatus is Present",
 "TaxonKey is Nasua nasua"
 ]
}

 The dataset includes 61 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011912-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3gajrj
title: Occurrence Download

description: A dataset containing 195 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Serruria phylicoides",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Specimen)"
 ]
}

 The dataset includes 195 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011911-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25345/c5ht2gr58
title: MassIVE MSV000100713 - GNPS - N-acyl-S1P HRMSn identification
title: Raw HRMSn Thermo RAW files for structural identification of N-acyl-S1P derivatives.
DOI: 10.15468/dl.quzftm
title: Occurrence Download

description: A dataset containing 8237 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Nasua narica"
 ]
}

 The dataset includes 8237 records from 95 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011917-260129131611470/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.cc2dnbp3
title: CCDC 2224085: Experimental Crystal Structure Determination

description: Related Article: simin jiang|2024|CSD Communication|||
description: Related Article: Simin Jiang, Yanmei He, Guo-Xi Yang, Tönu Pullerits, Shi-Jian Su|2025|Chemical Science|17|2818|doi:10.1039/d5sc07981k
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.cc2gl1z3
title: CCDC 2281475: Experimental Crystal Structure Determination

description: Related Article: Lin Zhu, Yang Wang, Han Guo, Rui Liu, Yu Wang, Meng-Yun Dang, Feng-Lan Hu, Wen-Jun Han, Jun-Long Zhan, Yunhe Lv|2026|Org.Biomol.Chem.|24|1021|doi:10.1039/d5ob01851j
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.cc2kv0q5
title: CCDC 2378497: Experimental Crystal Structure Determination

description: Related Article: Guo-Quan Huang, Hu Yang, Ri-Qin Xia, Kun Wu, Yong-Liang Huang, De-Bo Hao, Shun-Bo Li, Weigang Lu, Ji Zheng, Xiao-Ping Zhou, Dan Li|2025|Chemical Science|17|2646|doi:10.1039/d5sc04965b
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.cc2kv0r6
title: CCDC 2378498: Experimental Crystal Structure Determination

description: Related Article: Guo-Quan Huang, Hu Yang, Ri-Qin Xia, Kun Wu, Yong-Liang Huang, De-Bo Hao, Shun-Bo Li, Weigang Lu, Ji Zheng, Xiao-Ping Zhou, Dan Li|2025|Chemical Science|17|2646|doi:10.1039/d5sc04965b
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.cc2kv0s7
title: CCDC 2378499: Experimental Crystal Structure Determination

description: Related Article: Guo-Quan Huang, Hu Yang, Ri-Qin Xia, Kun Wu, Yong-Liang Huang, De-Bo Hao, Shun-Bo Li, Weigang Lu, Ji Zheng, Xiao-Ping Zhou, Dan Li|2025|Chemical Science|17|2646|doi:10.1039/d5sc04965b
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.cc2kv0t8
title: CCDC 2378500: Experimental Crystal Structure Determination

description: Related Article: Guo-Quan Huang, Hu Yang, Ri-Qin Xia, Kun Wu, Yong-Liang Huang, De-Bo Hao, Shun-Bo Li, Weigang Lu, Ji Zheng, Xiao-Ping Zhou, Dan Li|2025|Chemical Science|17|2646|doi:10.1039/d5sc04965b
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.cc2kv0v9
title: CCDC 2378501: Experimental Crystal Structure Determination

description: Related Article: Guo-Quan Huang, Hu Yang, Ri-Qin Xia, Kun Wu, Yong-Liang Huang, De-Bo Hao, Shun-Bo Li, Weigang Lu, Ji Zheng, Xiao-Ping Zhou, Dan Li|2025|Chemical Science|17|2646|doi:10.1039/d5sc04965b
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.cc2kv0wb
title: CCDC 2378502: Experimental Crystal Structure Determination

description: Related Article: Guo-Quan Huang, Hu Yang, Ri-Qin Xia, Kun Wu, Yong-Liang Huang, De-Bo Hao, Shun-Bo Li, Weigang Lu, Ji Zheng, Xiao-Ping Zhou, Dan Li|2025|Chemical Science|17|2646|doi:10.1039/d5sc04965b
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.cc2m0qgv
title: CCDC 2413767: Experimental Crystal Structure Determination

description: Related Article: Federico Frateloreto, Giorgio Capocasa, Martina De Angelis, Greta Sandri, Osvaldo Lanzalunga, Chiara Massera, Stefano Di Stefano|2025|Chemical Science|17|2582|doi:10.1039/d5sc07665j
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.cc2m0qhw
title: CCDC 2413768: Experimental Crystal Structure Determination

description: Related Article: Federico Frateloreto, Giorgio Capocasa, Martina De Angelis, Greta Sandri, Osvaldo Lanzalunga, Chiara Massera, Stefano Di Stefano|2025|Chemical Science|17|2582|doi:10.1039/d5sc07665j
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.cc2n0rzf
title: CCDC 2443605: Experimental Crystal Structure Determination

description: Related Article: Dongmei Wang, Xiao Chen, Yuting Lin, Lulu Wu, Zhichen Zhao, Xu Xu, Shilong Yang, Jianyu Zhang, Wen-Jin Wang, Zheng Zhao, Shifa Wang, Ben Zhong Tang, Xu-Min Cai|2025|Chemical Science|17|2847|doi:10.1039/d5sc09027j
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.cc2n0tq7
title: CCDC 2443659: Experimental Crystal Structure Determination

description: Related Article: Dongmei Wang, Xiao Chen, Yuting Lin, Lulu Wu, Zhichen Zhao, Xu Xu, Shilong Yang, Jianyu Zhang, Wen-Jin Wang, Zheng Zhao, Shifa Wang, Ben Zhong Tang, Xu-Min Cai|2025|Chemical Science|17|2847|doi:10.1039/d5sc09027j
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.cc2n9zjh
title: CCDC 2452457: Experimental Crystal Structure Determination

description: Related Article: Simin Jiang|2025|CSD Communication|||
description: Related Article: Simin Jiang, Yanmei He, Guo-Xi Yang, Tönu Pullerits, Shi-Jian Su|2025|Chemical Science|17|2818|doi:10.1039/d5sc07981k
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.cc2nqctl
title: CCDC 2464370: Experimental Crystal Structure Determination

description: Related Article: Li Chen, Yang Li, Yun-Long Hu, Xin Chen, Mei-Ru Chen, Jin Zhang, Lan-Ting Shi, Hong Li|2026|Org.Biomol.Chem.|24|1114|doi:10.1039/d5ob01961c
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.cc2nsvlx
title: CSD 2466750: Experimental Crystal Structure Determination

description: Related Article: Xiaoxu Wang, Tinghui Zhang, Huijian Zhao, Ning Jia, Hongjun Liu, Ning Ye, Zhanggui Hu, Conggang Li|2025|Chemical Science|17|2566|doi:10.1039/d5sc07486j
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.cc2nyztf
title: CCDC 2471686: Experimental Crystal Structure Determination

description: Related Article: Zheng-Wei Wei, Qing-Yun Cai, Li-Miao Yang, Yu-Xuan Huo, Ze-Long Li, Xue-Qing Gong, Zhi-Min Chen|2025|Chemical Science|17|2802|doi:10.1039/d5sc06981e
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.cc2nyzvg
title: CCDC 2471687: Experimental Crystal Structure Determination

description: Related Article: Zheng-Wei Wei, Qing-Yun Cai, Li-Miao Yang, Yu-Xuan Huo, Ze-Long Li, Xue-Qing Gong, Zhi-Min Chen|2025|Chemical Science|17|2802|doi:10.1039/d5sc06981e
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.cc2p0t8t
title: CCDC 2473436: Experimental Crystal Structure Determination

description: Related Article: Zheng-Wei Wei, Qing-Yun Cai, Li-Miao Yang, Yu-Xuan Huo, Ze-Long Li, Xue-Qing Gong, Zhi-Min Chen|2025|Chemical Science|17|2802|doi:10.1039/d5sc06981e
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.cc2p0t9v
title: CCDC 2473437: Experimental Crystal Structure Determination

description: Related Article: Zheng-Wei Wei, Qing-Yun Cai, Li-Miao Yang, Yu-Xuan Huo, Ze-Long Li, Xue-Qing Gong, Zhi-Min Chen|2025|Chemical Science|17|2802|doi:10.1039/d5sc06981e
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.