cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/unkmldxsynsoma-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H19NO3S/c1-3-27-22-21(24(26)28-4-2)29-23(25-22)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15/h5-13H,3-4H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (300 MHz, DMSO-d6, ppm) δ = 9.26 (d, J = 9.4 Hz, 1H), 8.52–8.18 (m, 8H), 4.7 (q, J = 14.1 Hz, 2H), 4.30 (q, J = 14.2 Hz, 2H), 1.49 (t, J = 7.0 Hz, 3H), 1.33 (t, J = 7.10 Hz, 3H).
DOI: 10.14272/unkmldxsynsoma-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H19NO3S/c1-3-27-22-21(24(26)28-4-2)29-23(25-22)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15/h5-13H,3-4H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (75.5 MHz, DMSO-d6, ppm) δ = 168.2 (q), 165.3 (q), 160.8 (q), 133.3 (q), 131.3 (q), 130.6 (q), 130.2, 129.8, 128.4, 128.4, 128.1, 127.7, 127.5, 127.1, 126.6, 126.1 (q), 125.8, 124.8, 124.7, 123.9 (q), 67.4, 61.0, 15.4, 14.8.
DOI: 10.14272/unkmldxsynsoma-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C24H19NO3S/c1-3-27-22-21(24(26)28-4-2)29-23(25-22)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15/h5-13H,3-4H2,1-2H3

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%): 402.12 (M+H)+, 424.10 (M+Na)+, 825.21 (2M+Na)+
DOI: 10.5281/zenodo.5544106
title: ML Injectors Sample Data

description: Data sets for woring with the windows examples of ml-injector-surrogates
DOI: 10.5281/zenodo.5544105
title: ML Injectors Sample Data

description: Data sets for woring with the windows examples of ml-injector-surrogates
DOI: 10.5517/ccdc.csd.cc28374s
title: CCDC 2088474: Experimental Crystal Structure Determination

description: Related Article: Xianghe Kong, Kongqiu Hu, Zhiwei Huang, Qunyan Wu, Jipan Yu, Lei Mei, Zhifang Chai, Changming Nie, Weiqun Shi|2021|Inorg.Chem.|60|14535|doi:10.1021/acs.inorgchem.1c02082
DOI: 10.5517/ccdc.csd.cc28375t
title: CCDC 2088475: Experimental Crystal Structure Determination

description: Related Article: Xianghe Kong, Kongqiu Hu, Zhiwei Huang, Qunyan Wu, Jipan Yu, Lei Mei, Zhifang Chai, Changming Nie, Weiqun Shi|2021|Inorg.Chem.|60|14535|doi:10.1021/acs.inorgchem.1c02082
DOI: 10.5517/ccdc.csd.cc28376v
title: CCDC 2088476: Experimental Crystal Structure Determination

description: Related Article: Xianghe Kong, Kongqiu Hu, Zhiwei Huang, Qunyan Wu, Jipan Yu, Lei Mei, Zhifang Chai, Changming Nie, Weiqun Shi|2021|Inorg.Chem.|60|14535|doi:10.1021/acs.inorgchem.1c02082
DOI: 10.5517/ccdc.csd.cc284gxt
title: CCDC 2089676: Experimental Crystal Structure Determination

description: Related Article: Wenjun Rao, Mingli Li, Xiuli You, Zhenhong Wei, Mengxia Zhang, Lingyu Wang, Hu Cai|2021|Inorg.Chem.|60|14706|doi:10.1021/acs.inorgchem.1c01816
DOI: 10.5517/ccdc.csd.cc2604v7
title: CCDC 2025938: Experimental Crystal Structure Determination

description: Related Article: Wenjun Rao, Mingli Li, Xiuli You, Zhenhong Wei, Mengxia Zhang, Lingyu Wang, Hu Cai|2021|Inorg.Chem.|60|14706|doi:10.1021/acs.inorgchem.1c01816
DOI: 10.5517/ccdc.csd.cc284gyv
title: CCDC 2089677: Experimental Crystal Structure Determination

description: Related Article: Wenjun Rao, Mingli Li, Xiuli You, Zhenhong Wei, Mengxia Zhang, Lingyu Wang, Hu Cai|2021|Inorg.Chem.|60|14706|doi:10.1021/acs.inorgchem.1c01816
DOI: 10.5517/ccdc.csd.cc2604w8
title: CCDC 2025939: Experimental Crystal Structure Determination

description: Related Article: Wenjun Rao, Mingli Li, Xiuli You, Zhenhong Wei, Mengxia Zhang, Lingyu Wang, Hu Cai|2021|Inorg.Chem.|60|14706|doi:10.1021/acs.inorgchem.1c01816
DOI: 10.5517/ccdc.csd.cc286qcl
title: CCDC 2091829: Experimental Crystal Structure Determination

description: Related Article: Wenjun Rao, Mingli Li, Xiuli You, Zhenhong Wei, Mengxia Zhang, Lingyu Wang, Hu Cai|2021|Inorg.Chem.|60|14706|doi:10.1021/acs.inorgchem.1c01816
DOI: 10.5517/ccdc.csd.cc286slw
title: CCDC 2091898: Experimental Crystal Structure Determination

description: Related Article: Miao-Dong Su, Hai-Ping Liu, Zhong-Zhong Cao, Yufeng Liu, Hui Li, Zhi-Wen Nie, Tong-Lin Yang, Wei-Ping Luo, Qiang Liu, Can-Cheng Guo|2021|J.Org.Chem.|86|13446|doi:10.1021/acs.joc.1c01550
DOI: 10.5517/ccdc.csd.cc287v7m
title: CCDC 2092910: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Srinu Tothadi, Shabana Khan|2021|Organometallics|40|3201|doi:10.1021/acs.organomet.1c00399
DOI: 10.5517/ccdc.csd.cc287vcr
title: CCDC 2092914: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Srinu Tothadi, Shabana Khan|2021|Organometallics|40|3201|doi:10.1021/acs.organomet.1c00399
DOI: 10.5517/ccdc.csd.cc287vds
title: CCDC 2092915: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Srinu Tothadi, Shabana Khan|2021|Organometallics|40|3201|doi:10.1021/acs.organomet.1c00399
DOI: 10.5517/ccdc.csd.cc287vft
title: CCDC 2092916: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Srinu Tothadi, Shabana Khan|2021|Organometallics|40|3201|doi:10.1021/acs.organomet.1c00399
DOI: 10.5517/ccdc.csd.cc287vgv
title: CCDC 2092917: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Srinu Tothadi, Shabana Khan|2021|Organometallics|40|3201|doi:10.1021/acs.organomet.1c00399
DOI: 10.5517/ccdc.csd.cc287vhw
title: CCDC 2092918: Experimental Crystal Structure Determination

description: Related Article: Moushakhi Ghosh, Srinu Tothadi, Shabana Khan|2021|Organometallics|40|3201|doi:10.1021/acs.organomet.1c00399
DOI: 10.5517/ccdc.csd.cc28bfcf
title: CCDC 2095394: Experimental Crystal Structure Determination

description: Related Article: Sagar S. Thorat, Gamidi Rama Krishna, Ravindar Kontham|2021|J.Org.Chem.|86|13572|doi:10.1021/acs.joc.1c01634
DOI: 10.5517/ccdc.csd.cc289mhq
title: CCDC 2094623: Experimental Crystal Structure Determination

description: Related Article: Quy Hung Trieu, Van Cuong Pham, Pascal Retailleau, Van Hung Nguyen, Marc Litaudon, Thi Mai Huong Doan|2021|Fitoterapia|155|105034|doi:10.1016/j.fitote.2021.105034
DOI: 10.5517/ccdc.csd.cc28d3vn
title: CCDC 2097021: Experimental Crystal Structure Determination

description: Related Article: Anni I. Taponen, Awatef Ayadi, Manu K. Lahtinen, Itziar Oyarzabal, Sébastien Bonhommeau, Mathieu Rouzières, Corine Mathonière, Heikki M. Tuononen, Rodolphe Clérac, Aaron Mailman|2021|J.Am.Chem.Soc.|143|15912|doi:10.1021/jacs.1c07468
DOI: 10.5517/ccdc.csd.cc28d3wp
title: CCDC 2097022: Experimental Crystal Structure Determination

description: Related Article: Anni I. Taponen, Awatef Ayadi, Manu K. Lahtinen, Itziar Oyarzabal, Sébastien Bonhommeau, Mathieu Rouzières, Corine Mathonière, Heikki M. Tuononen, Rodolphe Clérac, Aaron Mailman|2021|J.Am.Chem.Soc.|143|15912|doi:10.1021/jacs.1c07468
DOI: 10.5517/ccdc.csd.cc28d3xq
title: CCDC 2097023: Experimental Crystal Structure Determination

description: Related Article: Anni I. Taponen, Awatef Ayadi, Manu K. Lahtinen, Itziar Oyarzabal, Sébastien Bonhommeau, Mathieu Rouzières, Corine Mathonière, Heikki M. Tuononen, Rodolphe Clérac, Aaron Mailman|2021|J.Am.Chem.Soc.|143|15912|doi:10.1021/jacs.1c07468
DOI: 10.5517/ccdc.csd.cc28d3yr
title: CCDC 2097024: Experimental Crystal Structure Determination

description: Related Article: Anni I. Taponen, Awatef Ayadi, Manu K. Lahtinen, Itziar Oyarzabal, Sébastien Bonhommeau, Mathieu Rouzières, Corine Mathonière, Heikki M. Tuononen, Rodolphe Clérac, Aaron Mailman|2021|J.Am.Chem.Soc.|143|15912|doi:10.1021/jacs.1c07468
DOI: 10.5517/ccdc.csd.cc28d3zs
title: CCDC 2097025: Experimental Crystal Structure Determination

description: Related Article: Anni I. Taponen, Awatef Ayadi, Manu K. Lahtinen, Itziar Oyarzabal, Sébastien Bonhommeau, Mathieu Rouzières, Corine Mathonière, Heikki M. Tuononen, Rodolphe Clérac, Aaron Mailman|2021|J.Am.Chem.Soc.|143|15912|doi:10.1021/jacs.1c07468
DOI: 10.5517/ccdc.csd.cc28f1zr
title: CCDC 2097924: Experimental Crystal Structure Determination

description: Related Article: Sarah Desmons, Katie Grayson-Steel, Nelson Nuñez-Dallos, Laure Vendier, John Hurtado, Pere Clapés, Régis Fauré, Claire Dumon, Sébastien Bontemps|2021|J.Am.Chem.Soc.|143|16274|doi:10.1021/jacs.1c07872
DOI: 10.5517/ccdc.csd.cc28f20t
title: CCDC 2097925: Experimental Crystal Structure Determination

description: Related Article: Sarah Desmons, Katie Grayson-Steel, Nelson Nuñez-Dallos, Laure Vendier, John Hurtado, Pere Clapés, Régis Fauré, Claire Dumon, Sébastien Bontemps|2021|J.Am.Chem.Soc.|143|16274|doi:10.1021/jacs.1c07872
DOI: 10.5517/ccdc.csd.cc28gmlz
title: CCDC 2099431: Experimental Crystal Structure Determination

description: Related Article: Nour Dissem, Beñat Artetxe, Leire San Felices, Garikoitz Beobide, Oscar Castillo, Estibaliz Ruiz-Bilbao, Luis Lezama, María dM. Vivanco, Amor Haddad, Juan M. Gutiérrez-Zorrilla|2021|Inorg.Chem.|60|14913|doi:10.1021/acs.inorgchem.1c02276
DOI: 10.5517/ccdc.csd.cc28gmm0
title: CCDC 2099432: Experimental Crystal Structure Determination

description: Related Article: Nour Dissem, Beñat Artetxe, Leire San Felices, Garikoitz Beobide, Oscar Castillo, Estibaliz Ruiz-Bilbao, Luis Lezama, María dM. Vivanco, Amor Haddad, Juan M. Gutiérrez-Zorrilla|2021|Inorg.Chem.|60|14913|doi:10.1021/acs.inorgchem.1c02276
DOI: 10.5517/ccdc.csd.cc28h172
title: CCDC 2099823: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h183
title: CCDC 2099824: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h194
title: CCDC 2099825: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h1b5
title: CCDC 2099826: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.14469/hpc/9160
title: Original data for analyses in Organisational values of National Health Service trusts in England: semantic analysis and relation to performance indicators

description: A Microsoft Excel file containing original data, collected by the authors, for the paper "Organisational values of National Health Service trusts in England: semantic analysis and relation to performance indicators".
DOI: 10.6084/m9.figshare.14778319.v1
title: Description of a new species of Southeast Asian reed snake from northern Laos (Squamata: Colubridae: Genus <i>Calamaria</i> F. Boie, 1827) with a revised diagnosis of <i>Calamaria yunnanensis</i> Chernov, 1962

description: I describe a new <i>Calamaria</i> from northern Laos that was previously misidentified as <i>Calamaria yunnanensis</i> Chernov, 1962. This new species is quite similar to <i>C. yunnanensis</i>, but is distinguished by having a considerable pairwise genetic distance in the mitochondrial gene CytB (~20.2%) and the following morphological characters: nine modified maxillary teeth; length of rostral scale visible from above half the length of the prefrontal suture; eye diameter less than eye–mouth distance; preocular scale absent; single postocular scale present, less than eye diameter; 179 ventral scales in female; 21 subcaudal scales in female; subcaudals 10.9% of total body scales on the ventral surface; dorsal scales reducing to six rows above 12<sup>th</sup> subcaudal anterior to the tail tip, reducing to four rows above the last subcaudal; dorsal ground colour in preservative bluish-grey with five indistinct dark brown longitudinal stripes throughout body; and entire ventral region immaculate yellow in preservative. To clarify the taxonomic status of <i>C. yunnanensis</i>, I provide a revised diagnosis of this species and thoroughly describe a referred specimen sampled for mitochondrial DNA sequence data in past studies. Additional material from south-western China, northern Laos, Thailand and Myanmar is needed to resolve issues in the taxonomy of <i>Calamaria</i> in this region. http://www.zoobank.org/urn:lsid:zoobank.org:pub:AD8D2EAF-E76E-4D49-9DA8-4C5A656B4F9A
DOI: 10.5281/zenodo.5553883
title: SciExpeM - 10.5281/zenodo.5553883

description: Mulvihill, Clayton R., 0000-0002-4256-1311; Keesee, Charles L.; Sikes, Travis, 0000-0003-4438-1127; Teixeira, Rodolfo S.; Mathieu, Olivier; Petersen, Eric L., 0000-0002-4572-5916 - Proceedings Of The Combustion Institute, 2019, (37), 735-742
DOI: 10.5281/zenodo.5553882
title: SciExpeM - 10.5281/zenodo.5553883

description: Mulvihill, Clayton R., 0000-0002-4256-1311; Keesee, Charles L.; Sikes, Travis, 0000-0003-4438-1127; Teixeira, Rodolfo S.; Mathieu, Olivier; Petersen, Eric L., 0000-0002-4572-5916 - Proceedings Of The Combustion Institute, 2019, (37), 735-742
DOI: 10.5281/zenodo.5553887
title: SciExpeM - 10.5281/zenodo.5553887

description: Chamberlin, D. S.; Clarke, D. R. - Industrial & Engineering Chemistry, 1928, (20), 1016-1018
DOI: 10.5281/zenodo.5553886
title: SciExpeM - 10.5281/zenodo.5553887

description: Chamberlin, D. S.; Clarke, D. R. - Industrial & Engineering Chemistry, 1928, (20), 1016-1018
DOI: 10.25919/mqjq-yv06
title: Visualization of the hydrogen atom wave functions

description: DCM plugin for generating hydrogen atom wave functions and electron probability densities for interactive visualization using a web browser.
DOI: 10.6084/m9.figshare.16757383
title: Oilothermal Data set1.rar

description: solid-phase extraction of cadmium by carbon dots-loaded carriers
DOI: 10.6084/m9.figshare.16757383.v1
title: Oilothermal Data set1.rar

description: solid-phase extraction of cadmium by carbon dots-loaded carriers
DOI: 10.5281/zenodo.5534234
title: Radio-frequency C-V measurements with sub-attofarad sensitivity: data and analysis script

description: The attached files include: QCoDeS database containing all of the raw data underlying the results presented in the publication "Radio-frequency C-V measurements with sub-attofarad sensitivity" by F.K. Malinowski at al. Jupyter Notebook file with Python scripts, that processes the raw data and outputs the figures embedded in the publication (except for the schematics of the devices and the rf circuitry).
DOI: 10.5281/zenodo.5553850
title: Trained network for segmentation of yeast cell from brightfield images in microfluidic traps - DetecDiv (id02)

description: <pre>Trained network for segmentation of yeast cell from brightfield images in microfluidic traps. Related to the dataset: https://doi.org/10.5281/zenodo.5553771</pre> <strong>------------------------------------------</strong> <strong>Author(s)</strong>: Théo, ASPERT <strong>Contact email</strong>: theo.aspert@gmail.com <strong>Affiliation</strong>: IGBMC, Université de Strasbourg <strong>Funding bodies</strong>: This work was supported by the Agence Nationale pour la Recherche, the grant ANR-10-LABX-0030-INRT, a French State fund managed by the Agence Nationale de la Recherche under the frame program Investissements d'Avenir ANR-10-IDEX-0002-02.
description: {"references": ["DetecDiv, a deep-learning platform for automated cell division tracking and replicative lifespan analysis Theo Aspert, Didier Hentsch, Gilles Charvin bioRxiv 2021.10.05.463175; doi: https://doi.org/10.1101/2021.10.05.463175", "ASPERT Th\u00e9o. (2021). Annotated brightfield images from yeast cell in microfluidic traps - DetecDiv (id02) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.5553771"]}
DOI: 10.5281/zenodo.5553828
title: Trained network for cell-cycle slowdown detection - DetecDiv (id03)

description: <pre>Trained network for cell-cycle slowdown detection. Related to the dataset: doi.org/10.5281/zenodo.5553796</pre> <strong>------------------------------------------</strong> <strong>Author(s)</strong>: Théo, ASPERT <strong>Contact email</strong>: theo.aspert@gmail.com <strong>Affiliation</strong>: IGBMC, Université de Strasbourg <strong>Funding bodies</strong>: This work was supported by the Agence Nationale pour la Recherche, the grant ANR-10-LABX-0030-INRT, a French State fund managed by the Agence Nationale de la Recherche under the frame program Investissements d'Avenir ANR-10-IDEX-0002-02.
description: {"references": ["ASPERT Th\u00e9o. (2021). Annotated timeseries from yeast cell lifespans [Data set]. Zenodo. https://doi.org/10.5281/zenodo.5553796", "ASPERT Th\u00e9o. (2021). Annotated timeseries from yeast cell lifespans - DetecDiv (id03) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.5553796"]}
DOI: 10.6084/m9.figshare.14882956
title: Investigation of steel corrosion near the air–liquid interface in NaCl solution and soil environment

description: To examine the macro-galvanic corrosion of carbon steel near the air–liquid interface, a test panel of array electrodes was developed for investigating the corrosion behaviour in NaCl solution and wet soil environment. The corrosion rates were evaluated by electrochemical approaches and verified by the corrosion exposure tests. The analysis focused on the interaction between the macrocell and microcell according to the ZRA, EIS, and OCP measurements. Test results reveal that the coexisting of macrocell and microcell corrosion would change the position of maximum corrosion, and it was inferred the relationship of actual current density and microcell current density. In addition, the wet soil environment shows both microcell and macrocell corrosion near the air–liquid interface should be more severe than that in an iso-concentrated NaCl aq environment, whereas its macro-galvanic interaction of steel at the deep region should be smaller due to the low-diffusion rate in the soil environment.
DOI: 10.6084/m9.figshare.14882956.v1
title: Investigation of steel corrosion near the air–liquid interface in NaCl solution and soil environment

description: To examine the macro-galvanic corrosion of carbon steel near the air–liquid interface, a test panel of array electrodes was developed for investigating the corrosion behaviour in NaCl solution and wet soil environment. The corrosion rates were evaluated by electrochemical approaches and verified by the corrosion exposure tests. The analysis focused on the interaction between the macrocell and microcell according to the ZRA, EIS, and OCP measurements. Test results reveal that the coexisting of macrocell and microcell corrosion would change the position of maximum corrosion, and it was inferred the relationship of actual current density and microcell current density. In addition, the wet soil environment shows both microcell and macrocell corrosion near the air–liquid interface should be more severe than that in an iso-concentrated NaCl aq environment, whereas its macro-galvanic interaction of steel at the deep region should be smaller due to the low-diffusion rate in the soil environment.
DOI: 10.6084/m9.figshare.16755673
title: SI datasets: Magnetic parameter data (3-0 Ma) from the Tengger Desert, China

description: SI datasets for paper, "Eccentricity forcing of East Asian monsoonal systems over the past 3 million years", by Liu et al., (2021), doi:10.1073/PNAS.2107055118
DOI: 10.6084/m9.figshare.16755673.v1
title: SI datasets: Magnetic parameter data (3-0 Ma) from the Tengger Desert, China

description: SI datasets for paper, "Eccentricity forcing of East Asian monsoonal systems over the past 3 million years", by Liu et al., (2021), doi:10.1073/PNAS.2107055118
DOI: 10.6084/m9.figshare.14582265
title: Metadata record for: SMAP-HydroBlocks, a 30-m satellite-based soil moisture dataset for the conterminous US

description: This dataset contains key characteristics about the data described in the Data Descriptor SMAP-HydroBlocks, a 30-m satellite-based soil moisture dataset for the conterminous US. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.6084/m9.figshare.14582265.v1
title: Metadata record for: SMAP-HydroBlocks, a 30-m satellite-based soil moisture dataset for the conterminous US

description: This dataset contains key characteristics about the data described in the Data Descriptor SMAP-HydroBlocks, a 30-m satellite-based soil moisture dataset for the conterminous US. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.5281/zenodo.5271082
title: Research data for "Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks"

description: This dataset supports the paper: "Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks". The coarse-grained scaled and unscaled structures are provided here in CIF format. The code introduced in this work is subject to continuing development (and can be found at: https://github.com/tcnicholas/coarse-graining), therefore we include here the version of the code used for this paper alongside the Python analysis scripts. The original unprocessed CIFs were extracted from the Cambridge Structural Database (CSD).
DOI: 10.5281/zenodo.5271081
title: Research data for "Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks"

description: This dataset supports the paper: "Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks". The coarse-grained scaled and unscaled structures are provided here in CIF format. The code introduced in this work is subject to continuing development (and can be found at: https://github.com/tcnicholas/coarse-graining), therefore we include here the version of the code used for this paper alongside the Python analysis scripts. The original unprocessed CIFs were extracted from the Cambridge Structural Database (CSD).
DOI: 10.6084/m9.figshare.12459056.v18
title: agnostosDB_dbf02445-20200519

description: The agnostosDB (dbf02445-20200519) is a comprehensive dataset of microbial gene clusters (GCs) from genomes and metagenomes. It contains 5,287,759 GCs and more than 280M genes coming from the bacterial and archaeal Genome Taxonomy Database (GTDB) genomes, and from five large-scale metagenomic projects: 583 marine metagenomes from Tara Oceans expedition (TARA), Malaspina expedition, Ocean Sampling Day (OSD), Global Ocean Sampling Expedition (GOS), complemented with 1,246 metagenomes from the Human Microbiome Project (HMP) phase I and II. The dataset is described in Vanni et al. 2020.<br>Additional and more detailed information about the dataset creation and some of its applications, can be found at https://dark.metagenomics.eu/.Related to the agnostosDB is the agnostos-wf, a snakemake workflow stored in the GitHub repository https://github.com/functional-dark-side/agnostos-wf. The agnostos-wf allows to search the agnostosDB gene cluster HMM profiles and/or to integrate new sequence data (genes/contigs) in it.