cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1pffr9
title: CCDC 1562051: Experimental Crystal Structure Determination

description: Related Article: S. Sindhusha, C.M. Padma, B. Gunasekaran|2017|IUCrData|2|x171043|doi:10.1107/S2414314617010434
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.cc1pffxg
title: CCDC 1562056: Experimental Crystal Structure Determination

description: Related Article: Jian-Feng Zheng,  Xiu-Ning Hu,  Zhen Xu,  Dong-Cheng Cai,  Tai-Long Shen,  and Pei-Qiang Huang|2017|J.Org.Chem.|82|9693|doi:10.1021/acs.joc.7b01768
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.cc1pffyh
title: CCDC 1562057: Experimental Crystal Structure Determination

description: Related Article: A.S. Burlov, V.G. Vlasenko, P.V. Dorovatovskii, Y.V. Zubavichus, V.N. Khrustalev|2017|Acta Crystallogr.,Sect.E:Cryst.Commun.|73|1208|doi:10.1107/S2056989017010441
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.cc1pffzj
title: CCDC 1562058: Experimental Crystal Structure Determination

description: Related Article: Jean-Marie E. P. Cols, Victoria G. Hill, Stella K. Williams, Ruaraidh D. McIntosh|2018|Dalton Trans.|47|10626|doi:10.1039/C8DT01229F
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.cc1pfg0l
title: CCDC 1562059: Experimental Crystal Structure Determination

description: Related Article: Jean-Marie E. P. Cols, Victoria G. Hill, Stella K. Williams, Ruaraidh D. McIntosh|2018|Dalton Trans.|47|10626|doi:10.1039/C8DT01229F
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.cc1pfg1m
title: CCDC 1562060: Experimental Crystal Structure Determination

description: Related Article: Sergio Fombona, Julio Pérez, Jesús Díaz, Lucía Riera|2017|Chem.-Eur.J.|23|17870|doi:10.1002/chem.201703524
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.cc1pfg2n
title: CCDC 1562061: Experimental Crystal Structure Determination

description: Related Article: Sergio Fombona, Julio Pérez, Jesús Díaz, Lucía Riera|2017|Chem.-Eur.J.|23|17870|doi:10.1002/chem.201703524
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.cc1pfg3p
title: CCDC 1562062: Experimental Crystal Structure Determination

description: Related Article: Sergio Fombona, Julio Pérez, Jesús Díaz, Lucía Riera|2017|Chem.-Eur.J.|23|17870|doi:10.1002/chem.201703524
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.cc1pfgcy
title: CCDC 1562070: Experimental Crystal Structure Determination

description: Related Article: Jack T. Ly, Steven A. Lopez, Janice B. Lin, Jae Joon Kim, Hyunbok Lee, Edmund K. Burnett, Lei Zhang, Alán Aspuru-Guzik, K. N. Houk, Alejandro L. Briseno|2018|J.Mater.Chem.C|6|3757|doi:10.1039/C7TC05775J
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.cc1pfgdz
title: CCDC 1562071: Experimental Crystal Structure Determination

description: Related Article: Jack T. Ly, Steven A. Lopez, Janice B. Lin, Jae Joon Kim, Hyunbok Lee, Edmund K. Burnett, Lei Zhang, Alán Aspuru-Guzik, K. N. Houk, Alejandro L. Briseno|2018|J.Mater.Chem.C|6|3757|doi:10.1039/C7TC05775J
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.cc1pfgf0
title: CCDC 1562072: Experimental Crystal Structure Determination

description: Related Article: Dong-Sheng Liu, Wen-Tong Chen, Guang-Ming Ye, Jing Zhang, Yan Sui|2017|J.Solid State Chem.|256|14|doi:10.1016/j.jssc.2017.08.017
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.cc1pfl6x
title: CCDC 1562189: Experimental Crystal Structure Determination

description: Related Article: Gloria Reyes-Rangel, Jorge Vargas-Caporali, Eusebio Juaristi|2017|Tetrahedron|73|4707|doi:10.1016/j.tet.2017.05.016
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.cc1pfgj3
title: CCDC 1562075: Experimental Crystal Structure Determination

description: Related Article: Jianwen Jin,  Yichao Zhao,  Ali Gouranourimi,  Alireza Ariafard,  Philip Wai Hong Chan|2018|J.Am.Chem.Soc.|140|5834|doi:10.1021/jacs.8b02339
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.cc1pfgk4
title: CCDC 1562076: Experimental Crystal Structure Determination

description: Related Article: Jianwen Jin,  Yichao Zhao,  Ali Gouranourimi,  Alireza Ariafard,  Philip Wai Hong Chan|2018|J.Am.Chem.Soc.|140|5834|doi:10.1021/jacs.8b02339
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.cc1pfgl5
title: CCDC 1562077: Experimental Crystal Structure Determination

description: Related Article: Chuantao Liu, Fang Wang, Ting Xiao, Bo Chi, Yuanhua Wu, Dunru Zhu, Xiaoqiang Chen|2018|Sens.Actuators,B|256|55|doi:10.1016/j.snb.2017.09.198
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.cc1pfgm6
title: CCDC 1562078: Experimental Crystal Structure Determination

description: Related Article: Kai Zheng, Zi-Qi Liu, Yi Huang, Fei Chen, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng|2018|Sens.Actuators,B|257|705|doi:10.1016/j.snb.2017.11.009
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.cc1pfgn7
title: CCDC 1562079: Experimental Crystal Structure Determination

description: Related Article: Kai Zheng, Zi-Qi Liu, Yi Huang, Fei Chen, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng|2018|Sens.Actuators,B|257|705|doi:10.1016/j.snb.2017.11.009
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.cc1pfgp8
title: CCDC 1562080: Experimental Crystal Structure Determination

description: Related Article: Kai Zheng, Zi-Qi Liu, Yi Huang, Fei Chen, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng|2018|Sens.Actuators,B|257|705|doi:10.1016/j.snb.2017.11.009
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.cc1pfgq9
title: CCDC 1562081: Experimental Crystal Structure Determination

description: Related Article: Kai Zheng, Zi-Qi Liu, Yi Huang, Fei Chen, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng|2018|Sens.Actuators,B|257|705|doi:10.1016/j.snb.2017.11.009
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.cc1pfgrb
title: CCDC 1562082: Experimental Crystal Structure Determination

description: Related Article: Kai Zheng, Zi-Qi Liu, Yi Huang, Fei Chen, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng|2018|Sens.Actuators,B|257|705|doi:10.1016/j.snb.2017.11.009
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.cc1pfgsc
title: CCDC 1562083: Experimental Crystal Structure Determination

description: Related Article: Kai Zheng, Zi-Qi Liu, Yi Huang, Fei Chen, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng|2018|Sens.Actuators,B|257|705|doi:10.1016/j.snb.2017.11.009
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.cc1pfgtd
title: CCDC 1562084: Experimental Crystal Structure Determination

description: Related Article: Kai Zheng, Zi-Qi Liu, Yi Huang, Fei Chen, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng|2018|Sens.Actuators,B|257|705|doi:10.1016/j.snb.2017.11.009
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.cc1pfgvf
title: CCDC 1562085: Experimental Crystal Structure Determination

description: Related Article: Kai Zheng, Zi-Qi Liu, Yi Huang, Fei Chen, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng|2018|Sens.Actuators,B|257|705|doi:10.1016/j.snb.2017.11.009
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.cc1pf1v0
title: CCDC 1561682: Experimental Crystal Structure Determination

description: Related Article: Chuantao Liu, Fang Wang, Ting Xiao, Bo Chi, Yuanhua Wu, Dunru Zhu, Xiaoqiang Chen|2018|Sens.Actuators,B|256|55|doi:10.1016/j.snb.2017.09.198
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.cc1pfl0q
title: CCDC 1562183: Experimental Crystal Structure Determination

description: Related Article: Heejin Lee,  Jae Kyun Lee,  Sun-Joon Min,  Hyeonglim Seo,  Youngbok Lee,  and Hakjune Rhee|2018|J.Org.Chem.|83|4805|doi:10.1021/acs.joc.8b00022
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.cc1pf1x2
title: CCDC 1561684: Experimental Crystal Structure Determination

description: Related Article: Chuantao Liu, Fang Wang, Ting Xiao, Bo Chi, Yuanhua Wu, Dunru Zhu, Xiaoqiang Chen|2018|Sens.Actuators,B|256|55|doi:10.1016/j.snb.2017.09.198
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.cc1pfh2p
title: CCDC 1562092: Experimental Crystal Structure Determination

description: Related Article: Hongshan He, James D. Bosonetta, Kraig A. Wheeler, Stanley P. May|2017|Chem.Commun.|53|10120|doi:10.1039/C7CC05437H
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.15083479
title: German methane fluxes in 2021 estimated with an ensemble-enhanced scaling inversion based on the ICON–ART model

description: Data for methane flux inversion in Central Europe 2021

These datasets include the main results of a top-down estimation of methane fluxes in Europe with the focus on validating German emission reporting.

The file README.txt contains a brief description of the other files. In plot_data.py you can find examples for visualizing the data. CHANGES.txt documents changes in different versions of this data collection.

The data are derived from various input data including:



observations collected in the European Obspack (ICOS RI et al. 2024, doi:10.18160/9B66-SQM1) provided on the ICOS Carbon Portal

a priori emissions from the CAMS-REG-ANT data product (Kuenen et al. 2021, doi:10.24380/0vzb-a387) provided by the Copernicus Atmospheric Monitoring Service (CAMS) and ECCAD

a priori emissions for wetlands from CAMS inversion-optimized (Segers and Houweling 2020, https://ads.atmosphere.copernicus.eu/datasets/cams-global-greenhouse-gas-inversion) provided by the Copernicus Atmospheric Monitoring Service

a priori emissions for Germany provided by Umweltbundesamt and Thünen Institute

a priori natural emissions from oceans (Weber et al. 2023, doi:10.1038/s41467-019-12541-7) and rivers/streams (Rocher-Ros et al. 2023, doi:10.1038/s41586-023-06344-6)
DOI: 10.5281/zenodo.17414768
title: German methane fluxes in 2021 estimated with an ensemble-enhanced scaling inversion based on the ICON–ART model

description: Data for methane flux inversion in Central Europe 2021

These datasets include the main results of a top-down estimation of methane fluxes in Europe with the focus on validating German emission reporting.

The file README.txt contains a brief description of the other files. In plot_data.py you can find examples for visualizing the data. CHANGES.txt documents changes in different versions of this data collection.

The data are derived from various input data including:



observations collected in the European Obspack (ICOS RI et al. 2024, doi:10.18160/9B66-SQM1) provided on the ICOS Carbon Portal

a priori emissions from the CAMS-REG-ANT data product (Kuenen et al. 2021, doi:10.24380/0vzb-a387) provided by the Copernicus Atmospheric Monitoring Service (CAMS) and ECCAD

a priori emissions for wetlands from CAMS inversion-optimized (Segers and Houweling 2020, https://ads.atmosphere.copernicus.eu/datasets/cams-global-greenhouse-gas-inversion) provided by the Copernicus Atmospheric Monitoring Service

a priori emissions for Germany provided by Umweltbundesamt and Thünen Institute

a priori natural emissions from oceans (Weber et al. 2023, doi:10.1038/s41467-019-12541-7) and rivers/streams (Rocher-Ros et al. 2023, doi:10.1038/s41586-023-06344-6)
DOI: 10.5517/ccdc.csd.cc1pf09f
title: CCDC 1561634: Experimental Crystal Structure Determination

description: Related Article: Yu-Jie Gao, Mei-Ling Feng, Bo Zhang, Zhao-Feng Wu, Ying Song, Xiao-Ying Huang|2018|J.Mater.Chem.A|6|3967|doi:10.1039/C7TA11208D
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.cc1pfhcz
title: CCDC 1562101: Experimental Crystal Structure Determination

description: Related Article: Jonathan J. Du, Stephen A. Stanton, Peter A. Williams, Jennifer A. Ong, Paul W. Groundwater, Jacob Overgaard, James A. Platts, David E. Hibbs|2018|Cryst.Growth Des.|18|1786|doi:10.1021/acs.cgd.7b01676
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.cc1pfhd0
title: CCDC 1562102: Experimental Crystal Structure Determination

description: Related Article: Jonathan J. Du, Stephen A. Stanton, Peter A. Williams, Jennifer A. Ong, Paul W. Groundwater, Jacob Overgaard, James A. Platts, David E. Hibbs|2018|Cryst.Growth Des.|18|1786|doi:10.1021/acs.cgd.7b01676
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.cc1pfhf1
title: CCDC 1562103: Experimental Crystal Structure Determination

description: Related Article: Jonathan J. Du, Stephen A. Stanton, Peter A. Williams, Jennifer A. Ong, Paul W. Groundwater, Jacob Overgaard, James A. Platts, David E. Hibbs|2018|Cryst.Growth Des.|18|1786|doi:10.1021/acs.cgd.7b01676
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.cc1pfl1r
title: CCDC 1562184: Experimental Crystal Structure Determination

description: Related Article: Ah Rim Jeong,  Jihye Choi,  Yuki Komatsumaru,  Shinya Hayami,  Kil Sik Min|2017|Inorg.Chem.Commun.|86|66|doi:10.1016/j.inoche.2017.09.023
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.