cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8085556
title: 3-component synthetic seismograms associated with highly heterogeneous geologies

description: This dataset has been generated by propagating seismic waves in heteroegenous geologies. Geologies are 3D domains of size 9.6 x 9.6 x 9.6 km. The source is placed at (4.8km, 4.8km, -8.4km). It is parametrized as a moment tensor with M<sub>0</sub> = 2.47 · 10<sup>16</sup> N.m, strike = 48°, dip = 45°, and rake = 88°. The propagation of seismic waves is simulated with SEM3D, a High-Performance Code based on the Spectral Element Method. The simulation lasts for 20s. Ground motion is recorded at the surface by a grid of 16 x 16 sensors (600m spacing between two consecutive sensors). This dataset contains velocity timeseries for the sensor located at coordinates (1390m, 1390m). There are 3 timeseries associated with the three components (EW = East-West, NS = North-South, Z = upward). Timeseries are given at a 100Hz frequency. Due to the definition of the mesh elements in the numerical simulation, results are accurate only up to a 5Hz frequency. Timeseries still contain frequencies above 5Hz but they have no physical meaning. Each file is given as a numpy array. Each row corresponds to one numerical simulation (i.e. one geology). Columns correspond to the time steps (0, 0.01, 0.02, ..., 19.98, 19.99).
DOI: 10.11583/dtu.6796928
title: Supporting data - Effects of the cooperative interaction on the diffusion of hydrogen on MgO(100)

description: This dataset is the supporting data for the manuscript <i>"Effects of the cooperative interaction on the diffusion of hydrogen on MgO(100)"</i>, I.E. Castelli, Stefan G. Soriga, Isabela C. Man, J. Chem. Phys. 49, 034704 (2018). In the manuscript, we have investigated the role of pre-adsorbed fragments on H diffusion on MgO(100).<br><br>The data set contains all the relaxed structures and Nudged Elastic Bands (NEB) calculations in xyz and traj (Atomic Simulation Environment - ASE) format. Each structure can be visualized with the command:<br>ase gui filename.traj (or .xyz)<br>The NEB calculations with:<br>ase gui -n -1 *initial.traj *im?.traj *final.traj<br>and then select NEB from Tools. An example of the plot of a NEB calculation is the figure included here.<br><br>The scripts used to run and analyze the calculations are included in the archive. <br><br>A README file with more information about the data set and links have been provided.<br><br>The ASE code can be found here: https://wiki.fysik.dtu.dk/ase/<br><br>
DOI: 10.17632/fpfpxx5wjb.1
title: Ethnocentrism in Austria – Historical CETSCALE data

description: 
This data article offers three inter-connected, historical datasets regarding consumer ethnocentrism in Austria (Sinkovics 1999). (1) The first dataset (cet-dev) was used for scale development. It replicates and extends the US-CETSCALE, developed by Shimp and Sharma (1987). It was drawn on a quota-sampling technique (n=1105), representative of the Austrian population in 1993 and examines perceptions regarding foreign-made products. (2) The second dataset (cet-val) was used for scale validation, again drawn from a representative sample of the Austrian population in 1993-1994 (n=1069), and (3) the third dataset (cet-xtrmgrp) drew on a snowball sample of members of the Austrian army (n=105) and members of export-oriented firms (n=72), thus providing an ‘extreme group’ validation opportunity for the Austrian CETSCALE. The data can be reused for factor analytic multivariate procedures, to test antecedents and consequences of consumer ethnocentrism in the Austrian context and provide historic value, if pooled and reused with contemporary data.

Shimp, Terence A. and Subhash Sharma (1987), "Consumer ethnocentrism: Construction and validation of the cetscale," Journal of Marekting Research, 24 (3), 280-289. https://doi.org/10.1177/002224378702400304
Sinkovics, Rudolf R. (1999), Ethnozentrismus und konsumentenverhalten. Wiesbaden, Germany: Deutscher Universitätsverlag , Springer. https://doi.org/10.1007/978-3-663-08481-5.
DOI: 10.18138/1432455
title: Public Data Set: Radially Scanning Magnetic Probes to Study Local Helicity Injection Dynamics

description: This data set contains openly-documented, machine readable digital research data corresponding to figures published in N.J. Richner et al., 'Radially Scanning Magnetic Probes to Study Local Helicity Injection Dynamics,' Review of Scientific Instruments 89, 10J103 (2018).
DOI: 10.18739/a2ht2gc7z
title: Conductivity-Temperature-Depth (CTD) data from the 2018 Distributed Biological Observatory - Northern Chukchi Integrated Study (DBO-NCIS) cruise on USCGC (US Coast Guard Cutter) Healy (HLY1801)

description: In 2018 a joint cruise took place between the Distributed Biological Observatory – Northern Chukchi Integrated Study (DBO-NCIS) and the Ecosystems and Fisheries-Oceanography Coordinated Investigations (Eco-Foci) aboard the US Coast Guard Cutter Healy, from 4–24 August. The overall goal of DBO-NCIS is to document and understand ongoing changes to the Pacific-Arctic ecosystem in light of the changing physical drivers. The main objectives for the cruise were (1) to service a suite of moorings deployed on the Chukchi shelf and slope; (2) to occupy key transects on the northern Bering and Chukchi shelves, including DBO lines 2-5, with an extensive suite of water column and benthic measurements; (3) to perform a rapid, high-resolution hydrographic survey of the outflow from Barrow Canyon; and (4) to collect numerous underway measurements of the atmosphere-ocean-ice system. This submission contains all shipboard CTD (Conductivity, Temperature, Depth) measurements from the HLY1801 cruise. For more information on the DBO-NCIS program, visit https://www2.whoi.edu/site/dboncis/.
DOI: 10.5066/p99x6sir
title: Distribution, frequency, and global extent of hypoxia in rivers

description: To assess the distribution, frequency, and global extent of riverine hypoxia, we compiled 118 million paired dissolved oxygen (DO) and water temperature measurements from 125,158 unique locations in rivers in 93 countries and territories across the globe. The dataset also includes site characteristics derived from StreamCat, the National Hydrography and HydroAtlas datasets and proximal land cover derived from MODIS-based IGBP land cover types compiled using Google Earth Engine (GEE).
DOI: 10.5281/zenodo.3291503
title: Diels-Alder reactions dataset

description: This is the dataset used for training the PhysNet model in "Reactive Atomistic Simulations of Diels-Alder Reactions: the Importance of Molecular Rotations". It contains energies, forces and dipole moments calculated at the M06-2X/6-31G* level of theory for structures of all 378 possible "amon" [1] structures of 2,3-dibromo-1,3-butadiene (DBB) and maleic anhydride (MA) at multiple geometries sampled by running Langevin dynamics at 1000 K at the PM7 level of theory. Additional geometries were generated by adaptive sampling [2,3]. In total, the dataset contains 224483 data points. For more details, see https://arxiv.org/abs/1906.07455. [1] Huang, B. and von Lilienfeld O. A., arXiv:1707.04146 (2017)<br> [2] Behler, J., Phys. Condens. Matter 26, 183001 (2014)<br> [3] Behler, J., Int. J. Quantum Chem. 115, 1032 (2015)
DOI: 10.5281/zenodo.7452390
title: A Lagrangian analysis of the sources of rainfall over the Horn of Africa Drylands

description: This repository contains datasets required to reproduce the figures in the paper titled "A Lagrangian analysis of the sources of rainfall over the Horn of Africa Drylands" The relevant codes for generating the figures can be found in the following repository: https://github.com/akashkoppa/HAD-Moisture-Source
DOI: 10.5291/ill-data.inter-337
title: Internal time on IN13
DOI: 10.6084/m9.figshare.22800323.v1
title: <strong>Supplementary material</strong> Figure S1. A-CN-K ternary diagram for Tongdonggou section. The grey arrow indicates the weathering trend of the study units. Table S1. Whole-rock major and trace elements composition of the Liantuo and Gucheng Formation of the Tongdonggou section. Table S2. LA-ICP-MS U-Pb analyses of zircons (HZLT-1, TDG-23, and TDG-32) from the Liantuo Formation in the Shennongjia area.

description: Figure S1. A-CN-K ternary diagram for Tongdonggou section. The grey arrow indicates the weathering trend of the study units. Table S1. Whole-rock major and trace elements composition of the Liantuo and Gucheng Formation of the Tongdonggou section. Table S2. LA-ICP-MS U-Pb analyses of zircons (HZLT-1, TDG-23, and TDG-32) from the Liantuo Formation in the Shennongjia area.
DOI: 10.7284/133213
title: ADCP (Acoustic Doppler Current Profiler) data collected during research cruise HLY1801 using a Hawaii UHDAS instrument system onboard the platform USCGC Healy

description: Original (unprocessed) data collected during a Field_expedition
DOI: 10.18739/a28c9r51p
title: Conductivity-Temperature-Depth (CTD) data from the 2018 Monitoring the Western Arctic Boundary Current in a Warming Climate: Atmospheric Forcing and Oceanographic Response (Arctic Observing Network) cruise on USCGC (US Coast Guard Cutter) Healy (HLY1803)

description: USCGC (US Coast Guard Cutter) Healy (HLY) cruise 1803 took place from 25 October to 18 November 2018, departing from and returning to Dutch Harbor, Alaska (AK). The cruise was part of the project entitled “Monitoring the Western Arctic Boundary Current in a Warming Climate: Atmospheric Forcing and Oceanographic Response”, funded by the National Science Foundation as part of the Arctic Observing Network. The purpose of the cruise was to service the long-term mooring deployed in the Pacific Arctic Boundary Current on the continental slope of the Alaskan Beaufort Sea. In addition to recovering and re-deploying the mooring, the other primary objective of the cruise was to collect hydrographic measurements to further our understanding of the nature of the boundary current and its downstream evolution. This submission contains all shipboard CTD (Conductivity, Temperature, Depth) measurements from the HLY1803 cruise. For more information on the AON (Arctic Observing Network) program, visit: http://aon.whoi.edu/.
DOI: 10.6084/m9.figshare.1348804
title: Protein orientation near a charged surface using PyGBe and protein G B1 D4

description: Reproducibility package containing data, running script, plotting script and final plot of the protein-orientation study for protein G B1 D4' near a charged surface.The running script invokes the open-source bioelectrostatics solver PyGBe with the given input data, computes the orientation probability distribution and plots the final result. The file set includes: —1 mesh, 2 bodies<br>—PQR file<br>—mesh-generation script for sensor surface<br>—input parameters and running script for mesher<br>—input file for PyGBe and running script<br>—CSV file of output (tilt, rotation, energy)<br>—Figure 11 of the paper and plotting script This result is part of the publication: —<strong>"Probing protein orientation near charged nanosurfaces for simulation-assisted biosensor design,"</strong> Christopher D. Cooper, Natalia C. Clementi, Lorena A. Barba; <i>J. Chem. Phys</i>., Vol. 143: 124709 (2015) PyGBe solves biomolecular electrostatics problems using an implicit-solvent model (Poisson-Boltzmann) and it uses GPU hardware for fast execution. It is written in Python, PyCUDA and CUDA. More information about the PyGBe code in: —<em>"Validation of the PyGBe code for Poisson-Boltzmann equation with boundary element methods."</em> Christopher Cooper, Lorena A. Barba. figshare. http://dx.doi.org/10.6084/m9.figshare.154331 —"A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. <em>Comput. Phys. Comm.</em>, <strong>185</strong>(3):720–729 (March 2014). 10.1016/j.cpc.2013.10.028 // Preprint arXiv:1309.4018 <strong>Acknowledgement:</strong> This research is made possible by support from the Office of Naval Research, Applied Computational Analysis Program, N00014-11-1-0356. LAB also acknowledges support from NSF CAREER award OCI-1149784.
DOI: 10.6084/m9.figshare.20552064
title: Datasets to accompany manuscript intitled 'Non-neonicotinoid pesticides impact bumblebee activity and pollen provisioning.'

description: This data was collected as part on an experiement to investigate whether exposure to pesticides affected bumblebee behaviour and delivery of pollination services. (doi: 'x') <br> Bumblebee colonies were exposed to pesticide treatments (lambda-cyhalothrin or dimethoate) through a contaminated pollen food source and were then observed foraging on potted oilseed rape (canola/<em>Brassica napus</em>) plants in an exclusion cage in a semi-field setting. Meaurements were recorded at the individual bee level and at the colony level. Individual level observations involved releasing one bee from the nest, allowing it to forage on plants in the exlcusion cage, and recording it's behaviour (initial observations were recorded using BORIS software and then compiled in excel sheet for analysis). Colony level observations involved allowing free movement of bees in and out of the nest, recording visitation rates to the crop in addition to activity at the nest entrance. <br> Oilseed rape plants from both individual and colony level experiments were kept in exclusion cages until they were ready to harvest. This ensured that the plants were only visited by bumblebees involved in this study and no wild insects. Once matured, the plants were harvested to assess the delivery of pollinations services by these pesticide treated bumblebees. Open, receptive flowers were tagged at the time of observations, and at harvest it was recorded whether these flowers successfully progressed to pod development. Any pods that devleped were processed to measure pod yield, number of seeds per pod and seed weight as a proxy for delivery of pollination services.
DOI: 10.17028/rd.lboro.11382459
title: Research Data for "TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations"

description: ResearchData underlying the manuscript "TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations"<br>Content<b>ZMSO2M</b> - input/output files of Turbomole and TheoDORE for the computations on ZMSO2M-14TPA<b>Irptz2bpy</b> - input/output files of Q-Chem and TheoDORE for the computations on [Ir(ptz)<sub>2</sub>bpy]<sup>+</sup><b>FQ3F</b> - input/output files of Orca and TheoDORE for the computations on FQ3F<b>Fig2</b>, <b>Fig3</b>, <b>Fig4-7</b> - raw data and LaTeX/TikZ source files used to create Figures 2-7
DOI: 10.5281/zenodo.7828562
title: Estimating Paleointensities from Chemical Remanent Magnetizations of Magnetite Using Non-Heating Methods

description: Rock magnetic and demagnetization data associated with Maurel and Gattacceca (2023) ...
DOI: 10.6084/m9.figshare.1348803
title: Grid convergence of PyGBe with protein G B1 D4'

description: Reproducibility package containing data, running script, plotting script and final plot of a grid-convergence study on protein G B1 D4' near a charged surface. The running script invokes the (open-source) bioelectrostatics solver PyGBe with the given input data, computes the extrapolated value of solvation plus surface energy (with Richardson extrapolation), and plots the final result of convergence. This result is part of the following publication: —<strong>"Poisson–Boltzmann model for protein-surface electrostatic interactions and grid-convergence study using the PyGBe code,"</strong> Christopher D. Cooper and Lorena A. Barba, Comput. Phys. Comm. (2016) doi:10.1016/j.cpc.2015.12.019 PyGBe solves biomolecular electrostatics problems using an implicit-solvent model (Poisson-Boltzmann) and it uses GPU hardware for fast execution. It is written in Python, PyCUDA and CUDA. More information about the PyGBe code in: <em>—"Validation of the PyGBe code for Poisson-Boltzmann equation with boundary element methods,"</em> Christopher Cooper, Lorena A. Barba. figshare.<br>http://dx.doi.org/10.6084/m9.figshare.154331 —"A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers," Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. <em>Comput. Phys. Comm.</em>,<strong> 185</strong>(3):720–729 (March 2014). 10.1016/j.cpc.2013.10.028 // Preprint arXiv:1309.4018 <strong>Acknowledgement:</strong><br>This research is made possible by support from the Office of Naval Research, Applied Computational Analysis Program, N00014-11-1-0356. LAB also acknowledges support from NSF CAREER award OCI-1149784.
DOI: 10.25505/fiz.icsd.cc2cltjb
title: CSD 2192832: Experimental Crystal Structure Determination

description: Related Article: sandhya kapurwan|2022|ICSD Communication|||
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: 10.6084/m9.figshare.1348801
title: Grid convergence of PyGBe with immunoglobulin G near a charged surface

description: Reproducibility package containing data, running script, plotting script and final plot of grid-convergence study for immunoglobulin G near a charged surface.The running script invokes the open-source bioelectrostatics solver PyGBe with the given input data, computes the extrapolated value of solvation plus surface energy (with Richardson extrapolation), and plots the final result of convergence. This result is part of the publication:—<strong>"Probing protein orientation near charged nanosurfaces for simulation-assisted biosensor design,"</strong> Christopher D. Cooper, Natalia C. Clementi, Lorena A. Barba; <i>J. Chem. Phys</i>., Vol. 143: 124709 (2015) PyGBe solves biomolecular electrostatics problems using an implicit-solvent model (Poisson-Boltzmann) and it uses GPU hardware for fast execution. It is written in Python, PyCUDA and CUDA. More information about the PyGBe code in: <em>—"Validation of the PyGBe code for Poisson-Boltzmann equation with boundary element methods,"</em> Christopher Cooper, Lorena A. Barba. figshare.<br>http://dx.doi.org/10.6084/m9.figshare.154331 — —"A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. <em>Comput. Phys. Comm.</em>, <strong>185(</strong>3):720–729 (March 2014). 10.1016/j.cpc.2013.10.028 // Preprint arXiv:1309.4018 <strong>Acknowledgement:</strong><br>This research is made possible by support from the Office of Naval Research, Applied Computational Analysis Program, N00014-11-1-0356. LAB also acknowledges support from NSF CAREER award OCI-1149784.
DOI: 10.6084/m9.figshare.23585292
title: Data for figures. Increasing embeddedness in the global socio-economic system decreases sustainability of grazing agroecosystems.xlsx

description: The data includes the necessary information to depict the figures presented in the Article <strong>Increasing embeddedness in the global socio-economic system decreases sustainability of grazing agroecosystems</strong>.
DOI: 10.6084/m9.figshare.23585292.v1
title: Data for figures. Increasing embeddedness in the global socio-economic system decreases sustainability of grazing agroecosystems.xlsx

description: The data includes the necessary information to depict the figures presented in the Article <strong>Increasing embeddedness in the global socio-economic system decreases sustainability of grazing agroecosystems</strong>.
DOI: 10.57967/hf/0818
title: PsyNIT
DOI: 10.5281/zenodo.8085588
title: Versatile Femtosecond Laser Synchronization for Multiple-Timescale Transient IR Spectroscopy

description: Data for "Versatile Femtosecond Laser Synchronization for Multiple-Timescale Transient IR Spectroscopy", to appear in J. Chem Phys. A
DOI: 10.5281/zenodo.8085587
title: Versatile Femtosecond Laser Synchronization for Multiple-Timescale Transient IR Spectroscopy

description: Data for "Versatile Femtosecond Laser Synchronization for Multiple-Timescale Transient IR Spectroscopy", to appear in J. Chem Phys. A
DOI: 10.17632/8tk2sc4ytg.1
title: Data for: Generation of leaf area (LA) values from leaf length (L) and width (W) of Dendrobium nobile orchid using ImageJ

description: The experiment was conducted at ICAR-National Research Centre for Orchids (ICAR-NRCO), Pakyong, Sikkim, India where the best leaf area  prediction model  selection was done through the statistical performance metrices  viz.,coefficient of determination (R2), mean absolute errors (MAE) and root mean square errors (RMSE) . 1,589 images of approximately 1.5 -2 years old individual leaves of Dendrobium nobile (Orchidaceae) was captured by a smartphone (Samsung Galaxy J7 with 13 MP camera, 4128 x 3096 pixels, autofocus, LED flash) with a reference scale.  ImageJ (https://imagej.nih.gov/ij/) is an open access, image processing software developed by National Institute of Health (NIH), and  was used for determining the individual leaf length (L), width (W) and the leaf area (LA).  The process of estimating L,W and LA are described as under:
1) Selection of the  leaf image is done.
2) Calibration of the software scale with reference scale in cm is done.
3) The length of the leaf is measured from the tip to the base of the leaf just before the starting of the leaf sheath.
4) The width of the leaf is measured from the broadest region of the leaf.
5) The captured area of the Dendrobium nobile leaves  was separated from its background using the color threshold function of the software.
6) The region of interest which is measured leaf area was thus automatically calculated.
7) The generated estimation of leaf length, width and leaf area is thus stored in spreadsheet .
DOI: 10.17632/gsgk66v4dv.1
title: Raw Pictures Manuscript Rouviere et al March 2024

description: Raw Pictures associated with the Figures from the Manuscript Rouviere et al March 2024
DOI: 10.6084/m9.figshare.23585322
title: BLANK COPY (PROFORMA).docx

description: Blank copy containing the proforma
DOI: 10.6084/m9.figshare.23585322.v1
title: BLANK COPY (PROFORMA).docx

description: Blank copy containing the proforma
DOI: 10.6084/m9.figshare.22776413
title: all cytochrome bd sequences

description: animal rumina and engineered digesters are golden models for concept of nanaerobic digestion
DOI: 10.6084/m9.figshare.22776413.v1
title: all cytochrome bd sequences

description: animal rumina and engineered digesters are golden models for concept of nanaerobic digestion
DOI: 10.25919/4ekc-x048
title: Parkes observations for project P1172 semester 2023APRS_04

description: PSR J1713+0747 is a very important millisecond pulsar for global pulsar timing array campaigns, due to its long-term observation history, very stable and narrow profile and strong S/N. In April 2021, the pulsar experienced a significant event related to a change in its magnetosphere, presented as an observable change in the pulsar profile. Since then, the pulsar has been slowly recovering and we wish to observe this recovery with high-cadence observations to allow us to create a detailed time-resolved series of variations in the MSPs profile, polarisation, and other properties. Under this proposal, we wish to probe the profile recovery on weekly timescales (once per week per month), revealing additional short timescale behaviours, indicative of changes in the magnetosphere which are not available to other telescopes in the world, thanks to the Parkes UWL. This will also allow us to determine if the magnetosphere has returned to its original configuration or is settling into a new one. Understanding the recovery of this event is key for demonstrating that such pulsars are still viable clocks for use in gravitational wave studies, and in turn, provide us with new data on how the normally stable magnetosphere of this millisecond pulsar responds to an impulsive change in state.