cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.5497912
title: Data for "Insight into Ideal Shear Strength of Ni-based Dilute Alloys using First-Principles Calculations and Correlational Analysis"

description: <strong>Summary: </strong> This dataset contains inputs, outputs, and analysis needed to replicate the results discussed in a published article. First-principles results were obtained through VASP and an external optimizer while the crystal plasticity finite element calculations were carried out by Abaqus and an existing subroutine. See the manuscript for more details. <strong>Folders: </strong> NiX_data-summary ("analysis" archive): a summary of the output of the DFT calculations, including plaintext and numpy binary versions of the elastic constants and ideal shear stresses. NiX_analysis ("analysis" archive): the data analysis scripts needed to reproduce correlation results (a separate calculation in Matlab) and plot figures. NiX_data-detailed ("data" archive): input files for three pre-strain conditions (0.00, 0.15, and 0.30) and all alloying elements, with common files being separated to a top-level folder of their own to limit repetition. <strong>Article: </strong> Published: 10.1016/j.commatsci.2022.111564 @article{shimanek2022NiX, title = {Insight into ideal shear strength of Ni-based dilute alloys using first-principles calculations and correlational analysis}, journal = {Computational Materials Science}, volume = {212}, pages = {111564}, year = {2022}, issn = {0927-0256}, doi = {https://doi.org/10.1016/j.commatsci.2022.111564}, author = {John D. Shimanek and Shun-Li Shang and Allison M. Beese and Zi-Kui Liu}} Preprint: 10.48550/arXiv.2108.06412
DOI: 10.5281/zenodo.5497911
title: Data for "Insight into Ideal Shear Strength of Ni-based Dilute Alloys using First-Principles Calculations and Correlational Analysis"

description: <strong>Summary: </strong> This dataset contains inputs, outputs, and analysis needed to replicate the results discussed in a published article. First-principles results were obtained through VASP and an external optimizer while the crystal plasticity finite element calculations were carried out by Abaqus and an existing subroutine. See the manuscript for more details. <strong>Folders: </strong> NiX_data-summary ("analysis" archive): a summary of the output of the DFT calculations, including plaintext and numpy binary versions of the elastic constants and ideal shear stresses. NiX_analysis ("analysis" archive): the data analysis scripts needed to reproduce correlation results (a separate calculation in Matlab) and plot figures. NiX_data-detailed ("data" archive): input files for three pre-strain conditions (0.00, 0.15, and 0.30) and all alloying elements, with common files being separated to a top-level folder of their own to limit repetition. <strong>Article: </strong> Published: 10.1016/j.commatsci.2022.111564 @article{shimanek2022NiX, title = {Insight into ideal shear strength of Ni-based dilute alloys using first-principles calculations and correlational analysis}, journal = {Computational Materials Science}, volume = {212}, pages = {111564}, year = {2022}, issn = {0927-0256}, doi = {https://doi.org/10.1016/j.commatsci.2022.111564}, author = {John D. Shimanek and Shun-Li Shang and Allison M. Beese and Zi-Kui Liu}} Preprint: 10.48550/arXiv.2108.06412
DOI: 10.25318/3210036301-eng
title: Organic products, Census of Agriculture, 2021

description: Census of Agriculture, 2021. Farms reporting organic products for sale, by organic status.
DOI: 10.25318/3210036301-fra
title: Produits biologiques, Recensement de l’agriculture, 2021

description: Recensement de l’agriculture, 2021. Exploitations agricoles déclarant des produits biologiques à la vente, par statut biologique.
DOI: 10.22003/xfel.eu-data-002783-00
title: Photo-induced low-spin to high-spin transition in bulk spin-crossover complexes at room temperature: Hot electron-induced vs. heat- and strain-induced dynamics
DOI: 10.22003/xfel.eu-data-002796-00
title: Ultrafast Time-Resolved Dynamics in Liquid Crystals Probed by X-Ray Diffraction
DOI: 10.22003/xfel.eu-data-002853-00
title: Structural rearrangements during de-excitation of a self-trapped exciton in vitreous silica
DOI: 10.25318/3210036601-eng
title: Crop residue, Census of Agriculture, 2021

description: Census of Agriculture, 2021. Crop residue baled for bedding or sale in 2020.
DOI: 10.25318/3210036601-fra
title: Résidus de récolte, Recensement de l’agriculture, 2021

description: Recensement de l’agriculture, 2021. Résidus de récolte mis en balles à des fins de litière ou de vente en 2020.
DOI: 10.34683/sr2709
title: StoneRounds Case: SR2709
title: Leber Congenital Amaurosis

description: StoneRounds Case SR2709 was diagnosed with Leber Congenital Amaurosis likely caused by mutations in the gene: GUCY2D.
DOI: 10.6084/m9.figshare.3761562.v2245
title: Online Labour Index: Measuring the Online Gig Economy for Policy and Research

description: Data repository for the data underlying the Online Labour Index. See http://ilabour.oii.ox.ac.uk online-labour-index/ for details.
DOI: 10.5281/zenodo.6629248
title: Combined Vacuum

description: Cropped, filtered, and fft windowed datasets
DOI: 10.5281/zenodo.6629247
title: Combined Vacuum

description: Cropped, filtered, and fft windowed datasets
DOI: 10.5281/zenodo.6606098
title: Wear resistance of an additively manufactured high-carbon martensitic stainless steel

description: Dataset supporting the study: 'Wear resistance of an additively manufactured high-carbon martensitic stainless steel', E. Iakovakis et al., 2022 The dataset contains the hardness, the friction values, the x,y,z coordinates from profilometry measurements for the wear rate calculation and the generation of the surface profile map of the track and the hardness data to generate the cross-sectional hardness map of the wear tracks of an additive manufactured (EBM-processed) high-carbon martensitic stainless steel (Vibenite®350). Most specifically, it incudes the following: Hardness measurement file (Hardness vibenite350 HV5.csv): The .csv file reports the hardness for 30 measurements. Reciprocating tests files (Vibenite 350 cof1/2/3 alumina 3N/10N.csv): The .csv files report the testing parameters and the friction forces of the reciprocating dry wear tests. Profilometry measurements files (Vibenite 350 profilometry1/2/3 3N/10N.dat and Vibenite 350 profilometry data map_5umscan at 3N/10N): The .dat files report the x,y,z coordinates of the wear track used for the calculation of the Vibenite®350 and for the generation of the surface profile maps. Hardness data in the cross-section of the wear track files (Vibenite 350 hardness data map at 3N/10N.spe): The .spe files report the hardness values measured in the cross-section of the wear track and used to generate the hardness maps. SEM-EDX analysis of the wear track at 10N The dataset also includes tribological data for an additive manufactured (EBM-processed) high carbon martensitic tool steel (Vibenite®150) which is used to compare the wear rate data of the EBM-processed martensitic stainless steel. Most specifically, it incudes the following: Reciprocating tests files (Vibenite 150 cof1/2/3 alumina 3N/10N.csv): The .csv files report the testing parameters and the friction forces of the reciprocating dry wear tests (CoF-sliding distance plot included). Profilometry measurements files (Vibenite 150 profilometry1/2/3 3N/10N.dat ): The .dat files report the x,y,z coordinates of the wear track used for the calculation of the wear rate for Vibenite®150 and for the generation of the surface profile maps (included maps for 3 N and 10N).
DOI: 10.5281/zenodo.5767382
title: Wear resistance of an additively manufactured high-carbon martensitic stainless steel

description: Dataset supporting the study: 'Wear resistance of an additively manufactured high-carbon martensitic stainless steel', E. Iakovakis et al., 2022 The dataset contains the hardness, the friction values, the x,y,z coordinates from profilometry measurements for the wear rate calculation and the generation of the surface profile map of the track and the hardness data to generate the cross-sectional hardness map of the wear tracks of an additive manufactured (EBM-processed) high-carbon martensitic stainless steel (Vibenite®350). Most specifically, it incudes the following: Hardness measurement file (Hardness vibenite350 HV5.csv): The .csv file reports the hardness for 30 measurements. Reciprocating tests files (Vibenite 350 cof1/2/3 alumina 3N/10N.csv): The .csv files report the testing parameters and the friction forces of the reciprocating dry wear tests. Profilometry measurements files (Vibenite 350 profilometry1/2/3 3N/10N.dat and Vibenite 350 profilometry data map_5umscan at 3N/10N): The .dat files report the x,y,z coordinates of the wear track used for the calculation of the Vibenite®350 and for the generation of the surface profile maps. Hardness data in the cross-section of the wear track files (Vibenite 350 hardness data map at 3N/10N.spe): The .spe files report the hardness values measured in the cross-section of the wear track and used to generate the hardness maps. SEM-EDX analysis of the wear track at 10N The dataset also includes tribological data for an additive manufactured (EBM-processed) high carbon martensitic tool steel (Vibenite®150) which is used to compare the wear rate data of the EBM-processed martensitic stainless steel. Most specifically, it incudes the following: Reciprocating tests files (Vibenite 150 cof1/2/3 alumina 3N/10N.csv): The .csv files report the testing parameters and the friction forces of the reciprocating dry wear tests (CoF-sliding distance plot included). Profilometry measurements files (Vibenite 150 profilometry1/2/3 3N/10N.dat ): The .dat files report the x,y,z coordinates of the wear track used for the calculation of the wear rate for Vibenite®150 and for the generation of the surface profile maps (included maps for 3 N and 10N).
DOI: 10.5281/zenodo.5767383
title: Wear resistance of an additively manufactured high-carbon martensitic stainless steel

description: Dataset supporting the study: 'Wear resistance of an additively manufactured high-carbon martensitic stainless steel', E. Iakovakis et al., 2022 The dataset contains the hardness, the friction values, the x,y,z coordinates from profilometry measurements for the wear rate calculation and the generation of the surface profile map of the track and the hardness data to generate the cross-sectional hardness map of the wear tracks of an additive manufactured (EBM-processed) high-carbon martensitic stainless steel (Vibenite®350). Most specifically, it incudes the following: Hardness measurement file (Hardness vibenite350 HV5.csv): The .csv file reports the hardness for 30 measurements. Reciprocating tests files (Vibenite 350 cof1/2/3 alumina 3N/10N.csv): The .csv files report the testing parameters and the friction forces of the reciprocating dry wear tests. Profilometry measurements files (Vibenite 350 profilometry1/2/3 3N/10N.dat and Vibenite 350 profilometry data map_5umscan at 3N/10N): The .dat files report the x,y,z coordinates of the wear track used for the calculation of the wear rate for Vibenite®350 and for the generation of the surface profile maps. Hardness data in the cross-section of the wear track files (Vibenite 350 hardness data map at 3N/10N.spe): The .spe files report the hardness values measured in the cross-section of the wear track and used to generate the hardness maps. The dataset also includes tribological data for an additive manufactured (EBM-processed) high carbon martensitic tool steel (Vibenite®150) which is used as a reference material to compare the wear rate data of the EBM-processed martensitic stainless steel. Most specifically, it incudes the following: Reciprocating tests files (Vibenite 150 cof1/2/3 alumina 3N/10N.csv): The .csv files report the testing parameters and the friction forces of the reciprocating dry wear tests. Profilometry measurements files (Vibenite 150 profilometry1/2/3 3N/10N.dat ): The .dat files report the x,y,z coordinates of the wear track used for the calculation of the wear rate for Vibenite®150 and for the generation of the surface profile maps..
DOI: 10.5066/p9go81cq
title: Synoptic Study of Glyphosate, Neonicotinoids, and Selected Other Pesticides in Streams Draining to Lake Champlain from Urban and Agricultural Sources Near Burlington, Vermont, 2021

description: A study designed to measure concentrations of glyphosate, aminomethylphosphonic acid (AMPA, a product of glyphosate degradation in the environment), and several neonicotinoids in selected urban and agricultural streams located in the Lake Champlain Basin of Vermont was conducted in the spring, summer, and fall of 2021. These pesticides are of concern due to their widespread use (Baker, 2018) and potentially adverse ecological and human-health effects (Hladik and others, 2018; Medalie and others, 2020). Water samples were collected from Rock River near Highgate Center, Vt; Stevens Brook near St. Albans, Vt; Englesby Brook in Burlington, Vt; Potash Brook in Burlington, Vt; and the City of Burlington, Vt wastewater treatment plant [...]
DOI: 10.5281/zenodo.6633619
title: Mortality data from an intensive swine production system

description: The present data was generated in a study conducted to investigate the risk factors and causes of sow mortality. A post-mortem examination and microbiological investigation were conducted on 123 sows from a breeding herd with 15,000 dams located in Brazilian Midwest (Mato-Grosso State).
DOI: 10.5517/ccdc.csd.cc2bbqjy
title: CCDC 2155260: Experimental Crystal Structure Determination

description: Related Article: Kosuke Nakashima, Anton Georgiev, Dancho Yordanov, Yasuyuki Matsushima, Shin-ichi Hirashima, Tsuyoshi Miura, Liudmil Antonov|2022|J.Org.Chem.|87|6794|doi:10.1021/acs.joc.2c00494
description: Related Article: Kosuke Nakashima|2022|CSD Communication|||
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.ccpsd4z
title: CCDC 649051: Experimental Crystal Structure Determination

description: Related Article: F. W. Heinemann, V. Breyer, R. Meier|2022|CSD Communication|||
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.cc2bcszh
title: CCDC 2156297: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc2bct0k
title: CCDC 2156298: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc2bct2m
title: CCDC 2156300: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc2bct3n
title: CCDC 2156301: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc2bctg0
title: CCDC 2156312: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc2bcth1
title: CCDC 2156313: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc2bctj2
title: CCDC 2156314: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc2bctk3
title: CCDC 2156315: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc2bctl4
title: CCDC 2156316: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc2bctm5
title: CCDC 2156317: Experimental Crystal Structure Determination

description: Related Article: Masami Sakamoto, Takumi Nakamura|2022|CSD Communication|||
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.cc29cmx7
title: CCDC 2126349: Experimental Crystal Structure Determination

description: Related Article: Marek Eggen, Andrzej Ke¸dziorski, Rafał Janicki, Maria Korabik, Marek Krośnicki|2022|Polyhedron|222|115851|doi:10.1016/j.poly.2022.115851
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.cc2br6v5
title: CCDC 2167267: Experimental Crystal Structure Determination

description: Related Article: Rui-Ying Ren, Chang-Yuan Su, Ting Shao, Zhi-Xu Zhang, Pei-Zhi Huang, Yi Zhang, Qiang-Qiang Jia, Da-Wei Fu|2022|Dalton Trans.|51|7783|doi:10.1039/D2DT00991A
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: 10.14469/hpc/10594
title: 3: PhNHO-C TI CN app to N lp NHPh conformer G =-608.600542

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10596
title: 4: PhOHN-C TI CN app to N lp G = -608.597143 =&gt; OH conformer G = -608.598472

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.6633613
title: Combined Nitrogen

description: Cropped, filtered, and fft windowed datasets
DOI: 10.5281/zenodo.6633612
title: Combined Nitrogen

description: Cropped, filtered, and fft windowed datasets
DOI: 10.5281/zenodo.6633625
title: Recordings of Electron Beam Effects on Individual Dopant Atoms in Graphene

description: This data are scanning transmission electron microscopy (STEM) images whose contrast comes from high angle annular dark field (HAADF) scattering as well as medium angle annular dark field (MAADF). The specimen is single layer graphene (courtesy Ondrej Dyck), placed on a Protochips TEM grid which allows to rapidly heat the material upwards of 1200 C, which is primarily to reduce contamination from the electron beam. There are also various single dopant atoms scattered throughout - silicon naturally is present, but there may also be chromium atoms that were very lightly evaporated. The electron beam in the STEM, which is generally used to image the specimen, can also be used to modify the structure - i.e., move dopant atoms around the surface and into vacancy sites, or even knock out individual carbon atoms, which can depend on accelerating voltage of the beam. This data then consists of sets of the following: The purpose of this data is to utilize reinforcement learning (RL) to explore and ultimately learn the rules of the dynamics of single dopant atom movement due to various characteristics of the electron beam (position relative to dopant atom, dwell time of beam, current in the beam, etc.), and therefore consists of the following: Image 1 (before) Beam positions in time Image 2 (after)