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453 results for “Dynamic dataset”
Dataset to reproduce the figures of article "Information dynamics of in silico EEG Brain Waves"
<p>Data and code to reproduce results figures.</p>
Dataset for "On the dynamics of ozone depletion events at Villum Research Station in the High Arctic" Pernov et al.
<p>***************************************************************************************************************************************<br>Please contact Henrik Skov (hsk@envs.au.dk) and Jakob Boyd Pernov (jakob.pernov@gmail.com) before using any of these data. <br>***************************************************************************************************************************************</p> <p>Please check (https://ebas.nilu.no/) for ozone, DMI (https://www.dmi.dk/publikationer) for meteorological data, and ERDA (https://erda.au.dk/) for meteorological data before downloading these data. These repositories are the original data sources. </p> <p><br>This repo contains two files "All_Data_for_Pernov_et_al.csv" and "Only_Data_for_ML_Pernov_et_al.csv"</p> <p>Both datasets contain the following variables ozone mixing ratios (ppbv), ODE flags (0 is Non-ODE and 1 is ODE), wind direction (degrees), wind speed (m s-1), temperature (°C), RH (%), Pressure (hPa), percent of the time air masses spent below the mixed layer and over sea ice (SeaIce, %) and snow (Snow %) as well as the percent of the time air masses spent above the mixed layer (AML, %). </p> <p>"All_Data_for_Pernov_et_al.csv" contains NaNs where data was unavailable when ozone data was available. The first column is the date and time (DD/MM/YYYY HH:mm). </p> <p>"Only_Data_for_ML_Pernov_et_al.csv" contains no NaNs since data was imputed and radiation was gap-filled as outlined in the article and supplement. The first column is the index. </p>
Evaluating the impact of filler size and filler content on the stiffness, strength, and toughness of polymer nanocomposites using coarse-grained molecular dynamics: dataset
<div><strong>Abstract:</strong></div> <div>(from [1])</div> <div>Their great versatility makes polymer nanocomposites an important class of engineering materials. In order to gain detailed insights into the nanoscale mechanisms underlying their macroscopic mechanical properties, molecular dynamics (MD) simulations are a valuable tool to complement experimental studies. In this work, we modify the analytical potential functions of an efficient bead-spring model representing a generic polymer nanocomposite to account for the breaking of covalent bonds. We perform uniaxial tensile simulations of double-notched specimens and validate the model using experimental trends for overall stiffness, strength, and toughness. First, we study the effects of sample size, notch geometry, strain rate, temperature, and molar mass for the pure thermoplastic matrix material. Second, we analyze the influence of filler size and filler content on the mechanical behavior of the polymer nanocomposite. With this study, we show that in both the development of new materials and the optimization of established materials, it is possible to gain important preliminary insights into the effects of pertinent material characteristics with a simple MD setup, which can then be further refined by increasing the complexity of the material description and the boundary conditions. </div> <div> </div> <div> </div> <div><strong>Contact:</strong></div> <div>Felix Weber</div> <div>Institute of Applied Mechanics</div> <div>Friedrich-Alexander-Universität Erlangen-Nürnberg</div> <div>Egerlandstr. 5</div> <div>91058 Erlangen</div> <div>Germany</div> <div> </div> <div> </div> <div><strong>Software:</strong></div> <div>All simulations were performed with LAMMPS [2,3] (version 23 June 2022, patch_23Jun2022_update3) </div> <div> </div> <div>Compiler: GNU C++ 11.2.0 with OpenMP not enabled</div> <div>C++ standard: C++11</div> <div> </div> <div>Active compile time flags:</div> <div>-DLAMMPS_GZIP</div> <div>-DLAMMPS_SMALLBIG</div> <div> </div> <div>Installed packages:</div> <div>BPM CLASS2 DPD-BASIC EXTRA-DUMP EXTRA-FIX EXTRA-MOLECULE INTEL KSPACE MANYBODY </div> <div>MC MISC MOLECULE MOLFILE MPIIO NETCDF OPT </div> <div> </div> <div>Moreover, we employ a self-avoiding random walker [4,5] implemented in MATLAB [6] for the initial positioning of the polymer chains and nanoparticles.</div> <div> </div> <div> </div> <div><strong>License:</strong></div> <div>Creative Commons Attribution 4.0 International</div> <div> </div> <div> </div> <div><strong>Context:</strong></div> <div>This dataset contains the results presented in [1] and the necessary data to obtain those.</div> <div> </div> <div> </div> <div><strong>Content:</strong></div> <div>Throughout this data set, LAMMPS lj units are used. The files to reproduce our simulations and their results are structured as follows:</div> <div>- 01_neat: Neat polymer systems</div> <div> - 01_EQU: Equilibration simulations</div> <div> - 02_UT: Uniaxial tensile simulations, including the notch insertion (token "initcrack")</div> <div> - 1.1: Simulations for different sample sizes/numbers of chains (token "chains") at constant molar mass/number of beads per chain</div> <div> - 1.3: Simulations for different widths of the Dirichlet boundary (token "diri")</div> <div> - 2.1: Simulations for different critical bond lengths (token "bondcrit")</div> <div> - 2.2: Simulations for different bond breaking probabilities (token "bondcprob")</div> <div> - 3.1: Simulations for different crack widths (token "crackwidth")</div> <div> - 3.2: Simulations for different crack lengths (token "crackdepth")</div> <div> - 4: Simulations for different strain rates (token "strainrate")</div> <div> - 5: Simulations for different temperatures (token "tem")</div> <div> - 6: Simulations for different molar masses/numbers of beads per chain (token "chain-len")</div> <div>- 02_PNC: Polymer nanocomposite (PNC) systems </div> <div> - 01_EQU: Equilibration simulations</div> <div> - 02_UT: Uniaxial tensile simulations for different filler radii (token "rF") and filler contents/numbers (token "nF"), including the notch insertion (token "initcrack")</div> <div>- parameter_study: Postprocessing of the MD results </div> <div> - parameter_study.xlsx: Overview of the simulations with their respective parameters and statistical analysis of stiffness, strength, and toughness from filtered stress-strain curves (Savitzky-Golay filter applying a linear polynomial and frame length 21)</div> <div> - .csv files of the single sheets of parameter_study.xlsx:</div> <div> - samples.csv: Individual specimens</div> <div> - averages.csv: Statistical analysis of the different samples corresponding to one batch</div> <div> </div> <div>Each simulation directory contains:</div> <div>- LAMMPS input script (*.in) of the simulation</div> <div>- input.prm: Input parameters of the simulation (read by the input script)</div> <div>- LAMMPS data file (*.data, molecular style) of the investigated sample</div> <div>- LAMMPS_out: Resulting LAMMPS data files, log files and simulation results in tabulated form</div> <div> - additional files for the tensile tests: </div> <div> - brokenbonds.dat: Fix print output for fix brokenbondsprint (step time brokenbondsPerStep brokenbondsSum)</div> <div> - stressstrain.dat: Time-averaged data for fix dumpOpt (step v_strain_xx v_OBSstrain_xx v_Piola_xx) with the local strain at the crack tip v_OBSstrain_xx</div> <div> - thermo_out.Dat: Thermodynamic output in condensed tabulated form</div> <div> - thermo_out_SG.Dat: Thermodynamic output in condensed tabulated form, filtered by a Savitzky-Golay filter (linear polynomial, frame length 21)</div> <div> - thermo_out_STD.Dat: Standard deviation between the filtered and unfiltered data</div> <div>- job.out: Simulation log file</div> <div>- meta.info: Meta data of the simulation run</div> <div> </div> <div>Naming convention:</div> <div>- 01_neat: GTPm-[number of chains]_chains-[number of beads per chain]_chain_len-[temperature]_tem-[parameter value]_[parameter]-[sample]</div> <div> - [parameter]: Parameter studied, i.e. diri/bondcrit/bondcprob/crackwidth/crackdepth/strainrate/tem (see above)</div> <div> - [parameter value]: Value of the parameter studied</div> <div> - [sample]: Sample ID</div> <div>- 02_PNC: GTPm_rF-[filler radius]_nF-[number of fillers]_[sample]</div> <div> - [sample]: Sample ID</div> <div> </div> <div>Output quantities (columns of *.Dat files):</div> <div>- Step: time step</div> <div>- Time: time</div> <div>- TotEng: total energy</div> <div>- PotEng: potential energy</div> <div>- KinEng: kinetic energy</div> <div>- E_pair: pair energy</div> <div>- E_bond: bond energy</div> <div>- E_angle: angle energy</div> <div>- E_dihed: dihedral energy</div> <div>- Temp: temperature</div> <div>- Press: hydrostatic pressure</div> <div>- Pxx: xx component of pressure tensor</div> <div>- Pyy: yy component of pressure tensor</div> <div>- Pzz: zz component of pressure tensor</div> <div>- Pxy: xy component of pressure tensor</div> <div>- Pxz: xz component of pressure tensor</div> <div>- Pyz: yz component of pressure tensor</div> <div>- Volume: volume of simulation box</div> <div>- Lx: box length in x direction</div> <div>- Ly: box length in y direction</div> <div>- Lz: box length in z direction</div> <div>- Density: mass density</div> <div>- c_RG: radius of gyration</div> <div>- c_RG[1]: squared radius of gyration tensor (xx component)</div> <div>- c_RG[2]: squared radius of gyration tensor (yy component)</div> <div>- c_RG[3]: squared radius of gyration tensor (zz component)</div> <div>- c_RG[4]: squared radius of gyration tensor (xy component)</div> <div>- c_RG[5]: squared radius of gyration tensor (xz component)</div> <div>- c_RG[6]: squared radius of gyration tensor (yz component)</div> <div>- c_bondave[1]: bond energy averaged over all atoms</div> <div>- c_bondave[2]: bond distance averaged over all atoms</div> <div>- c_bondave[3]: squared bond distance averaged over all atoms</div> <div>- c_angleave[1]: angle energy averaged over all atoms</div> <div>- c_angleave[2]: angle averaged over all atoms degree</div> <div>- c_angleave[3]: cosine of angle</div> <div>- c_angleave[4]: squared cosine of angle</div> <div>- c_MSD[1]: mean squared displacement x-direction</div> <div>- c_MSD[2]: mean squared displacement y-direction</div> <div>- c_MSD[3]: mean squared displacement z-direction</div> <div>- c_MSD[4]: total mean squared displacement</div> <div>- c_COM[1]: x coordinate of center of mass</div> <div>- c_COM[2]: y coordinate of center of mass</div> <div>- c_COM[3]: z coordinate of center of mass</div> <div>- v_strain_xx: xx component of engineering strain tensor </div> <div>- v_strain_yy: yy component of engineering strain tensor </div> <div>- v_strain_zz: zz component of engineering strain tensor </div> <div>- v_vMisesequivstress: von Mises equivalent stress</div> <div>- v_Piola_xx: xx component of the virial stress tensor normalized by the initial volume</div> <div>- v_Piola_yy: yy component of the virial stress tensor normalized by the initial volume</div> <div>- v_Piola_zz: zz component of the virial stress tensor normalized by the initial volume</div> <div>- v_Piola_xy: xy component of the virial stress tensor normalized by the initial volume</div> <div>- v_Piola_xz: xz component of the virial stress tensor normalized by the initial volume</div> <div>- v_Piola_yz: yz component of the virial stress tensor normalized by the initial volume</div> <div>- v_strain_xy: xy component of engineering strain tensor </div> <div>- v_strain_xz: xz component of engineering strain tensor </div> <div>- v_strain_yz: yz component of engineering strain tensor </div> <div> </div> <div> </div> <div><strong>References:</strong></div> <div>[1] F. Weber, V. Dötschel, P. Steinmann, S. Pfaller, M. Ries, "Evaluating the impact of filler size and filler content on the stiffness, strength, and toughness of polymer nanocomposites using coarse-grained molecular dynamics", Engineering Fracture Mechanics, vol. 307, p. 110270, 2024.</div> <div>[2] S. Plimpton, "Fast parallel algorithms for short-range molecular dynamics", Journal of computational physics, vol. 117, no. 1, pp. 1-19, 1995.</div> <div>[3] A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, S. J. Plimpton, "LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales", Computer Physics Communications, vol. 271, p. 108171, 2022.</div> <div>[4] V. Dötschel, S. Pfaller, and M. Ries, "Studying the mechanical behavior of a generic thermoplastic by means of a fast coarse-grained molecular dynamics model", Polymers and Polymer Composites, vol. 31, pp. 1–11, 2023.</div> <div>[5] M. Ries, V. Dötschel, J. Seibert, and S. Pfaller, A self-avoiding random walk algorithm (SARW) for generic thermoplastic polymers and nanocomposites, Zenodo, 2022, https://doi.org/10.5281/zenodo.6245699.</div> <div>[6] The MathWorks, Inc., "Matlab. the language of technical computing", https://de.mathworks.com/help/matlab/.</div> <div> </div> <div> </div> <div><strong>Funding:</strong></div> <div>The authors gratefully acknowledge funding by various sources:</div> <div>The overall research was funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - 377472739/GRK 2423/2-2023. Sebastian Pfaller is furthermore funded by the DFG projects 396414850 (Individual Research Grant 'Identifikation von Interphaseneigenschaften in Nanokompositen') and 505866713 together with the Agence nationale de la recherché (ANR, French Research Agency) – ANR-22-CE92-0049 (Individuel Research Grant 'BIO ART'). In addition, scientific support and HPC resources have been provided by the Erlangen National High Performance Computing Center (NHR@FAU) of the Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) under the NHR project b136dc. NHR funding is provided by federal and Bavarian state authorities. NHR@FAU hardware is partially funded by the DFG project 440719683.</div>
Seasonal footprints on ecological time series and jumps in dynamic states of protein configurations from a nonlinear forecasting method characterization (DataSet)
<p>Data from the article: <br>"Seasonal footprints on ecological time series and jumps in dynamic states of protein configurations from a nonlinear forecasting method characterization", L. Reyes, K. Campos, G. D. Avendaño, L. González-Paz, A. Vivas, Y. J. Alvarado, and S. Flores.</p> <p>Data to be used with some implementation of the forecasting method of reference:<br>Sugihara G. and May R. M., Nonlinear forecasting as a way of distinguishing chaos from measurement error in time series, <em>Nature</em> <strong>344</strong>, 734–741 (1990).</p>
Somatic hypermutation-mediated paratope flexibility improves the cross-reactivity of human malaria antibodies -- Molecular Dynamics dataset
<p>4493 Manuscript Data<br>====================</p> <p>author: Anton Hanke<br>size of uncompressed folder: ~19Gb.<br>DOI: 10.5281/zenodo.11470585</p> <p># Standard MD simulation data</p> <p>Standard Simulations were generated with gromacs 2021.5 using the charmm36m forcefield Juli 2021 release tarball (https://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-jul2021.ff.tgz).<br>Post processed (PBC) simulations are structured as follows:<br>Mature generally refers to the wildtype 4493 antibody.</p> <p>- simulations/standardMD<br> |<br> |- prod.mdp example production mdp file used to run all production simulations.<br> |<br> |- mature Mature simulation set. (folder and file naming the same in all simulation directories)<br> | |- {peptide}_{replicate}_prod.gro {peptide} = peptide; {replicate} = standard MD replicate<br> | |- {peptide}_{replicate}_prod.tpr<br> | `- {peptide}_{replicate}_prod_align_noPBC.xtc (10Frames/ns)<br> |<br> |- mature_rerun Additional set of replicates with the wildtype 4493.<br> |- matureCapped Set of simulations with termini capped peptides<br> |- mature_nanpv2 Set of simulations with NPDP similar positioning of NANP<br> |- wo_pep Set of simulations without peptides for germline and mature<br> `- germline Set of germline simulations.</p> <p><br># RAMD simulation data</p> <p>RAMD simulations were generated with gromacs_2020.5 patched with RAMDv2 modified to account for the connected multiple ligand groups.<br>(Source code provided as tar file ./sw/gromacs_ramd_patchv2.tar.gz)</p> <p>Not all trajectories contain an unbinding event (gromacs CUDA bug.). <br>These trajectories were not considered in the analysis of simulations. </p> <p>- simulations/ramd<br> |<br> |- prod.mdp Exemplary production mdp file with RAMD settings, these were used in all trajectories w/<br> | differing RAMD random seed.<br> |<br> |- mature_2.625kcalmolA_4.0_3.0<br> | |- {peptide}_{replicate}_prod_{startFrame}.gro {peptide} = peptide; {replicate} = standard MD replicate; {startFrame} = Frame in standard MD used to start simulation.<br> | |- {peptide}_{replicate}_prod_{startFrame}.tpr<br> | |- {peptide}_{replicate}_prod_{startFrame}.ndx<br> | |- {peptide}_{replicate}_prod_{startFrame}_align_noPBC.xtc (100Frames/ns) Files omited due to size -- available on request.<br> | `- {peptide}_{replicate}_prod_{startFrame}_lastframe.pdb Last frame of the processed RAMD trajectory.<br> `- gl_2.625kcalmolA_4.0_3.0</p> <p><br># Analysis</p> <p>- analysis<br> |<br> |- entropie Quasi harmonic entropy estimation.<br> | |- inp Concatenated & Bootstrapped, coarse-grained and aligned trajectories of all systems<br> | |- out CPPTRAJ runs to calculate QHE on the bootstrapped trajectories<br> | |- run_complex.sh Script running analysis.<br> | |- ana.py Script to calculte average and std of QHE for each system. (generates *.out *.tsv *.png)<br> | |- cg.py Script used to bootstrap, coarse-grain align and build average structure with.<br> | `- delta_entropies.ods Excel file used to calculate Tab 1. in Main text of paper from entropies.out.<br> |<br> |- mmpbsa MMPBSA calculations (MM + SolvEnergy) with gmx_MMPBSA<br> | |- inp Input trajectories and topologies processed for MMPBSA<br> | |- out/gmx_mmpbsa Output directories in which gmx_MMPBSA was run.<br> | | ` *.dat Output files containing calculated energy terms from gmx_MMPBSA.<br> | |- mmpbsa.in MMPBSA input file used to run analysis.<br> | |- plot_results.py Python script to plot correlation of MMPBSA output with experimental data<br> | |- pca_eig_extr.py Script to reduce simulations to regions of high probability density within trajectory (not used in the present analysis)<br> | |- slurm-91315023.out Log file of the analysis run<br> | `- run_mmpbsa.sh Shell script to run the MMPBSA analysis (generates input and output file trees).<br> |<br> `- ramd RAMD analysation.<br> |- run.sh Shell script to run the analysis<br> |- run_ramd_ana.py Python script called by `run.sh` to run the analysis using `ramdAnalysis.py`<br> |- contact_clusters.py Python script to generate plots based on output of the analysis.<br> |- ramdAnalysis.py Python module containing analysis classes called/used within `run_ramd_ana.py`<br> | Based on tauRAMD & Fingerprint analysis by Dr. Daria Khokh (https://doi.org/10.1021%2Facs.jctc.8b00230; https://doi.org/10.1063%2F5.0019088)<br> |- abrun.* Log files from the present run<br> |- *.svg; *.png Analysis output files.<br> |- tramd_patchv2/ Output PDB structures from the analysis (excluded due to size, available on request)<br> `- representatives.pse Pymol session of cluster representatives along unbinding for germline and wildtype with contact probabilities within the<br> cluster mapped as b-factor.</p> <p># Figures</p> <p>- figure_pdbs PDB files (and pymol sessions) used to generate figures in the papers main text.</p>
HDRIHaven: Public domain high dynamic range image dataset
<p>High quality datasets are essential for image processing research.<br> This set contains 201 high dynamic range panoramic images (360 x 180 degrees) with jpeg previews.<br> <br> The images are originally published at HDRIHaven under CC0 license / waiver:<br> - HDRIHaven: https://hdrihaven.com/<br> <br> The images are named using the SOURCE_IDX_DESCRIPTION.EXTENSION format, e.g. <br> hdrihaven_001_ahornsteig_16k.hdr.xz to ease further reference (e.g. "hdrihaven_001").</p> <p><br> <strong>HDRIHaven:</strong><br> The photos were taken and processed by Greg Zaal, and he generously published the images under CC0 license.<br> The images were originally published at https://hdrihaven.com.</p> <p>The files have Radiance HDR type and 16K resolution (16384x8192, 134Mpixel)<br> <br> <strong>Bugfix:</strong></p> <p>One file was missing from the first version (hdrihaven_200_yellow_field_16k.hdr.xz).<br> This updated version should be used instead of the original.</p> <p> </p> <p><strong>Downloading data:</strong><br> Due to the large size, the .hdr images were compressed with xz, which is not especially fast, but has a high compression ratio. <br> <br> It could be quite time consuming to download each file individually.<br> If all of the files are required, then it might be a better approach to download only the "file_list.txt",<br> and use a download manager to download the rest of the files. E.g. on Unix systems: </p> <pre><code class="language-bash">wget -i file_list.txt </code></pre> <p><br> Direct link to the file list: <a href="https://zenodo.org/record/1285800/files/file_list.txt">https://zenodo.org/record/1285800/files/file_list.txt</a></p> <p>Alternatively, zenodo_get ( <a href="https://gitlab.com/dvolgyes/zenodo_get">http://gitlab.com/dvolgyes/zenodo_get</a> ) could be used to download the whole record, e.g.<br> </p> <pre><code>zenodo_get.py 10.5281/zenodo.1285800</code></pre> <p> </p> <p><strong>Related links:</strong></p> <p>You might also be interested in: <a href="https://doi.org/10.5281/zenodo.1245790">https://doi.org/10.5281/zenodo.1245790</a> which is a similar dataset.</p>
Arctic Ocean freshwater dynamics: transient response to increasing river runoff and precipitation [dataset]
<p>This dataset contains the underlying data for the manuscript Brown et al., Arctic Ocean freshwater dynamics: transient response to increasing river runoff and precipitation, submitted to JGR-Oceans</p> <p>-----------------------------------<br> Descriptors in the filenames, shown below as *, correspond to the various simulations, as follows:</p> <p>Simulations forced with JRA-25 reanalysis data:<br> AR: Unperturbed control simulation<br> B1: Simulation involving a step change in river runoff of -30% <br> C1: Simulation involving a step change in river runoff of +30% <br> B7: Simulation involving a step change in precipitation of -30% <br> C8: Simulation involving a step change in precipitation of +30% </p> <p>Simulations forced with the CORE-II climatology:<br> AR_CORE: Unperturbed control simulation <br> P-30_CORE: Simulation involving a step change in precipitation of -30% <br> P+30_CORE: Simulation involving a step change in precipitation of +30% </p> <p>-----------------------------------<br> The files named as fwvolume_Sref35_*.nc contain the variables:</p> <p>freshwater: horizontally-integrated liquid freshwater volume in m^3<br> freshwater_pos: as before, but including only positive values in the integration<br> h_f: basin-mean freshwater height in m<br> h_f_pos: as before, but including only positive values in the integration</p> <p>The reference salinity used in each case is 35.</p> <p>-----------------------------------</p> <p>The files named as freshwater_h_f_*.nc contain horizontally-gridded, depth-integrated liquid freshwater heights in m. The integration is made to a depth of 276.68m.</p> <p>h_f_34p8: freshwater height, using a reference salinity of 34.8 <br> h_f_34p8_pos: as before, but including only positive values in the integration<br> h_f_35: freshwater height, using a reference salinity of 35 <br> h_f_35_pos: as before, but including only positive values in the integration</p> <p>The grid for these files is grid.nc</p> <p>-----------------------------------</p> <p>The files named as fluxes_ed3_*.nc contain strait-integrated volume fluxes (in m^3 s^-1) into and out of the Arctic domain: </p> <p>f: liquid volume flux<br> fw: freshwater, with variables numbered 1 using a reference salinity of 34.8 and those numbered 2 using a reference salinity of 35<br> ice: sea ice volume flux</p> <p>The first dimension, ngate, of the variables indicates the strait:</p> <p>1) Fram Strait<br> 2) Barents Sea Opening<br> 3) Bering Strait<br> 4) Amundsen Gulf<br> 5) McClure Strait<br> 6) Canadian Arctic Archipelago<br> 7) Nares Strait</p> <p>-----------------------------------</p> <p>Sea ice volumes (in m^3) for the JRA-25 forced simulations are contained in the files named area_int_*.nc with variable name "ivol"</p> <p>-----------------------------------</p> <p>Basin-integrated liquid freshwater volumes for a further series of JRA-forced runoff perturbation experiments are contained within the file FWLvol_AO_Sref35_runoff.mat:</p> <p>R_10: a step increase in runoff of 10%<br> R_60: a step increase in runoff of 60%<br> R_100: a step increase in runoff of 100%</p> <p>The reference salinity is 35 and depth of integration 276.68m</p>
Dataset of predicted dynamic specific yield under periodic water table oscillations
<p>This dataset accompanies the submitted paper in the Water Resources Research: An approximate model for predicting the specific yield under periodic water table oscillations.</p> <p>The dataset includes 299 numerical experiments on predicting dynamic specific yield with different soil properties and different amplitudes of groundwater level oscillations. With this dataset, we proposed an approximate model for predicting the specific yield under diurnal and seasonal water level fluctuations.</p>
Codes and datasets associated with the paper "Dynamic LES modeling of a diurnal cycle"
<p>Here, you will find some of the codes, images, and datasets utilized in the article: </p> <p>Basu et al. (2008). "Dynamic LES modeling of a diurnal cycle", Journal of Applied Meteorology and Climatology, 47, 1156-1174. (<a href="https://journals.ametsoc.org/doi/pdf/10.1175/2007JAMC1677.1">https://journals.ametsoc.org/doi/pdf/10.1175/2007JAMC1677.1</a>)</p> <p>Matlab codes: MatlabCodes.tar.gz (Contains all the analyses and visualization codes used in the paper)</p> <p>Observational data: Wangara_Observations.tar.gz (These data were manually typed directly from the original Wangara document)</p> <p>LES data (binary): LES_160x160x160.tar.gz and LES_80x80x80.tar.gz</p>
Dataset from: Transport and water age dynamics in soils: a comparative study of spatially-integrated and spatially-explicit models
<p>This dataset contains high-resolution vegetated lysimeter experimental dataset carried out in EPFL, Lausanne, Switzerland in March-August 2016. The lysimeter is 100 cm long with a diameter of 120 cm. During this experiment, a simultaneous spike injection of five different solutes (2,5-DFBA, 2-TFMBA, 3,4-DFBA, 2,6-DFBA, 3-TFMBA) took place on the 3rd of March 2016 at 14:00 in an hour. The solutes' mass recovery at the bottom of lysimeter was observed for these solutes.</p> <p>This dataset contains three files which are described in the following:</p> <ul> <li>"hydrologic_data.dat" contains the hourly fluxes (precipitation, irrigation, evapotranspiration measured from load cells, and the water draining at the bottom of lysimeter ) in mm/hr between the 19th of Feb-the 1st of Sep 2016.</li> <li>"tracer_data.dat" contains the tracer concentration observed at the bottom of lysimeter in mg/L. These samples are collected at variable frequencies with an approximate average of 1.5 samples per day.</li> <li>"additional_data.dat" informs you on dry mass and soil volume in the lysimeter, vegetation type, and volume of injection per solute.</li> </ul> <p> </p>
Dataset used in the article: Cunico, G., Aivazidou, E., Mollona, E. (2019), "European Cohesion Policy performance and citizens' awareness: A holistic System Dynamics framework", Investigaciones Regionales – Journal of Regional Research (In Press)
<p>In the context of the abovementioned article, interviews with experts about EU funding, as well as a workshop, were performed to find any missing factors or links in the conceptual model developed. This dataset provides detailed information about the interviews and the workshop. The related research is conducted in the context of the Horizon 2020 project PERCEIVE (www.perceiveproject.eu).</p>
Dataset: electrophysiological dynamics during internal–external attention switching
<p>data_raw.zip contains raw iEEG data, the structure of which is described in the .docx file.</p> <p>code_figures.zip contains numerical source data and code for each figure in the manuscript.</p> <p>code_SEEG_dataAnalysis.zip contains additional functions and code to reproduce the figures, as well as code library used to generate the results in the manuscript.</p> <p>Hammer2024_attentionSwitching.pdf is the published paper in Communications Biology.</p>
Dataset for the paper "Network-Based Differential Abundance Analysis: Bridging Community Interactions and Host-Microbiome Dynamics."
<p>The files with extension rds are files that contain simulated data and the tsv files contain original data along with their meta data.</p>
Dataset to: Controlling 4f antiferromagnetic dynamics via itinerant electronic susceptibility
<p>This is a dataset for the article titled 'Controlling 4f antiferromagnetic dynamics via itinerant electronic susceptibility' which is accepted to Physical Review Research in 2024.</p> <ul> <li>GdT2Si2_eDOS.tar.gz (and GdT2Si2_eDOS.zip) file includes electronic density of states of the studied materials that can be extracted in Linux (in Windows) environment.</li> <li>Other .nxs files include the data file presented in the corresponding figure of the linked Physical Review Research article.</li> </ul>
A fMRI dataset in response to large number of short natural dynamic facial expression videos
<pre>#A fMRI dataset in response to large number of short natural dynamic facial expression videos<br>Natural facial expressions dataset (NFED),a dataset of functional magnetic resonance imaging (fMRI) responses to 1,320 short (3s) facial expression video clips.NFED offers researchers fMRI data that enables them to investigate the neural mechanisms involved in processing emotional information communicated by facial expression videos in real-world environments.<br>The dataset contains raw data, pre-processed volume data,pre-processed surface data and suface-based analyzed data.<br>To get more details, please refer to the paper at {website} and the dataset at https://openneuro.org/datasets/ds005047<br><br>## Preprocess procedure<br>The MRI data were preprocessed by using Kay et al, combining code written in MATLAB and certain tools from FreeSurfer, SPM,and FSL(http://github.com/kendrickkay). We used FreeSurfer software (http://surfer.nmr.mgh.harvard.edu) to construct the pial and white surfaces of participants from the T1 volume. Additionally, we established an intermediate gray matter surface between the pial and the white surfaces for all participants.<br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/volume_pre-process/**<br>Detailed usage notes are available in codes, please read carefully and modify variables to satisfy your customed environment.<br>## GLM of main experiment<br>We utilized a single-trial General Linear Model (GLMsingle) (https://github.com/cvnlab/GLMsingle) approach, an advanced denoising approach in MATLAB R2019a, to model the pre-processed fMRI data from main experiment. For single trials, the method of GLM was developed to offer estimations of BOLD response magnitudes ('betas'). GLMsingle requires only fMRI time series data and a design matrix as inputs, integrating three techniques to enhance the accuracy of experimental GLM beta estimates. Firstly, for each voxel, a custom HRF is identified from a library of candidate functions. Secondly, cross-validation is utilized to derive a set of noise regressors from voxels unrelated to the experimental paradigm. Thirdly, to improve the stability of beta estimates for closely spaced trials, ridge regression is employed on a voxel-wise basis to regularize the betas. In this study, three betas were calculated by analyzing the BOLD response corresponding to individual video onset ranging from 1 to 3 seconds with 1-second intervals. We produced individual GLMsingle models for each session (consisted of 4 training runs and 2 test runs). In general, for each video within the training set, 2 (repetitions) x 3 (seconds) betas were acquired. Similarly, for each video within the testing set, 10 (repetitions) x 3 (seconds) betas were acquired. The utilization of repetitions enabled us to acquire video-evoked responses with a high signal-to-noise ratio (SNR).<br><br>The regressors in the GLMsingle toolbox mainly include the following categories:<br>1.Experimental Design Matrix: This is constructed based on the experimental design, including experimental conditions, task events, etc., and is used to estimate the BOLD (Blood - Oxygen - Level - Dependent) signal response.<br>2.Data-driven nuisance regressors: The data-driven nuisance regressors used in the GLMdenoise technique. These are identified by analyzing the data itself and are used to remove noise and improve the accuracy of beta estimation.<br>3.Physiological noise regressors: May include indicators of physiological signals such as heart rate and respiration, and are used to correct the influence of physiological noise on the BOLD signal.<br>4.Movement parameter regressors: Usually include head movement parameters, such as translation and rotation, and are used to correct signal changes caused by head movement.<br>5.Polynomial regressors: Polynomial terms used to o characterize the baseline signal level.<br><br><br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/GLMsingle-main-experiment/matlab/NFED_GLMsingle.m**<br><br>#### retinotopic mapping<br><br>The fMRI data from the the population receptive field experiment were analyzed by a pRF model implemented in the analyzePRF toolbox (http://cvnlab.net/analyzePRF/) to characterize individual retinotopic representation. Make sure to download required software mentioned in the code.<br><br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/Functional-localizer-experiment-analysis/s4a_analysis_prf.m**<br><br>#### fLoc experiment<br><br>We used GLMdenoise,a data-driven denoising method,to analyze the pre-processed fMRI data from the fLoc experiment.We used a "condition-split" strategy to code the 10 stimulus categories, splitting the trials related to each category into individual conditions in each run. Six response estimates (beta values) for each category were produced by using six condition-splits.To quantify selectivity for various categories and domains,we computed t-values using the GLM beta values after fitting the GLM.The regions of interest with category selectivity for each participant were defined by using the resulting maps.<br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/Functional-localizer-experiment-analysis/s4a_analysis_floc.m**<br><br><br>## Validation<br>### Basic quality control<br>The fundamental quality control suggests that the data displays good quality. To evaluate the quality of the structural data obtained from NFED, we employed four crucial metrics:Coefficient of Joint Variation(CJV), Contrast-to-Noise Ratio (CNR), Signal-to-Noise Ratio in Grey Matter (SNR_GM), and Signal-to-Noise Ratio in White Matter (SNR_WM). Specifically, the CJV is between white matter(WM) and grey matter(GM).The CNR assesses the relationship between the contrast of GM and WM with the noise present in the image. The SNR assesses the connection between the mean signal measurements and the noise present in the image. The SNR assessment is conducted individually for GM and WM.For quality control of the NFED’s functional scans, we assessed the amount of head motion for each participant and the temporal signal-to-noise ratio (tSNR) of the time-series data, separately.<br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/validation/T1_Image-quality-metrics/T1data/noiseeval/cal_SNRindex.m**<br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/validation/FD/FD.py**<br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/validation/tSNR/tSNR.py**<br>### The visual cortex exhibits reliable BOLD responses to natural facial expression videos stimuli in main experiment.<br>In the main experiment, there were 5 participants who accomplished 10 sessions, each consisting of of 4 training runs and 2 test runs, making a total of 60 runs(40 training and 20 test runs) in all. For each run, 30 (videos)*2 (repetitions) x 3 (seconds) betas were acquired. Z-score normalization was performed on the raw betas at each voxel for each run.The betas were then averaged across stimulus repetitions to generate a vector of betas. In general, 44 runs (40 training runs and 4 test runs)*90 betas were acquired. Hence, the test-retest reliability of responses to these videos in main experiment were evaluated through computing the Pearson correlation between the 90 betas obtained from the even runs and odd runs on each vertex.<br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/validation/reliability_face/reliability_face.py**<br>### noise celling<br>The code are available at https://openneuro.org/datasets/ds005047/validation/code/noise_celling/sub-xx" store the intermediate files required for running the program<br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/noise_celling/Noise_Ceiling.py**<br><br>### Correspondence between human brain and DCNN<br>The code are available at https://openneuro.org/datasets/ds005047. We combined the data from main experiment and functional localizer experiments to build an encoding model to replicate the hierarchical correspondences of representation between the brain and the DCNN. The encoding models were built to map artificial representations from each layer of the pre-trained VideoMAEv2 to neural representations from each area of the human visual cortex as defined in the multimodal parcellation atlas.<br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/code/dnnbrain/**<br><br>### Semantic metadata of action and expression labels reveal that NFED can encode temporal and spatial stimuli features in the brain<br>The code are available at https://openneuro.org/datasets/ds005047/validation/code/semantic_metadata/xx_xx_semantic_metadata" store the intermediate files required for running the program.<br>**code:https://openneuro.org/datasets/ds005047/derivatives/validation/code/semantic_metadata/**<br><br>## results<br> The results can be viewed at "https://openneuro.org/datasets/ds005047/derivatives/validation/results/brain_map_individual".<br><br>## Whole-brain mapping<br>The whole-brain data mapped to the cerebral cortex as obtained from the technical validation.<br>**code: https://openneuro.org/datasets/ds005047/derivatives/validation/results/show_results_allbrain/Showresults.m**<br><br>## Mannually prepared environment<br>We provide the *requirements.txt* to install python packages used in these codes. However, some packages like *GLM* and *pre-processing* require external dependecies and we have provided the packages in the corresponding file.<br><br>## stimuli<br>The video stimuli used in the NFED experiment are saved in the "stimuli" folders.<br><br></pre>
Dataset for ""A dynamic isotope effect in the nucleophilic substitution reaction F- + CD3I"
<p>Dataset for ""A dynamic isotope effect in the nucleophilic substitution reaction F- + CD3I"</p>
Photophysical and Spectroscopic dataset for Carrier Dynamics and Recombination in Ag-In-Zn-S Quantum Dots
<p>(1) HR-TEM images of alloyed AgIn<sub>1.5</sub>Zn<sub>1.9</sub>S<sub>3.6</sub> (A1) and AgIn<sub>1.5</sub>Zn<sub>4.4</sub>S<sub>6.8</sub> (A2) nanocrystals.</p> <p>(2) Energy-dispersive spectra of alloyed AgIn<sub>1.5</sub>Zn<sub>1.9</sub>S<sub>3.6</sub> (A1) and AgIn<sub>1.5</sub>Zn<sub>4.4</sub>S<sub>6.8</sub> (A2) nanocrystals.</p> <p>(3) UV-vis-NIR spectra of A1 nanocrystals and A1-MV, where the nanocrystals are conjugated with methyl viologen (MV2+) molecules.</p> <p>(4) (a) Normalized PL decays of A1 nanocrystals measured at various detection wavelengths, (b and c) PL decays measured at room temperature for A1 and A2 nanocrystals, (d and e) PL decays measured at various temperatures for A1 and A2 nanocrystals.</p> <p>(5) Transient absorption (TA) spectra for A1 nanocrystals for various pump-probe delays.</p> <p> </p> <p>This work was supported by National Science Centre Poland Grant No. 2019/35/B/ST3/04235.</p> <p>P.K., P.B., and A.P. acknowledge the financial support from the National Science Centre of Poland, Grant No. 2022/45/B/ST5/02120.</p>
The dataset of "Evaluation of Digital Supply Chain Technology's Impact on Sustainability Under the Moderate Effect of Supply Chain Dynamism: An Empirical Research in the Chinese Energy Supply Chain"
<p>This dataset involves the data from the questionnaire, which come from the project "Evaluation of Digital Supply Chain Technology’s Impact on Sustainability Under the Moderate Effect of Supply Chain Dynamism: An Empirical Research in the Chinese Energy Supply Chain". It comprises three dimensions questions, technology, sustainability and supply chain dynamism. The datas come from two Chinese energy firms, <span>China Resources Power Zhejiang Company and Hunan HuaDian Changsha Electric Co., Ltd.</span></p>
Dataset of "Mapping of Internal Ionic/Electronic Transient Dynamics in Current-Voltage Operation of Perovskite Solar Cells"
<p><span>This dataset supports the article: "Mapping of Internal Ionic/Electronic Transient Dynamics in Current-Voltage Operation of Perovskite Solar Cells" </span></p> <p><span>Raw data for the article "Mapping of Internal Ionic/Electronic Transient Dynamics in Current-Voltage Operation of Perovskite Solar Cells". For further details see the readme.txt file.</span></p>
Dataset - Dynamic persistence of intracellular bacterial communities of uropathogenic Escherichia coli in a human bladder-chip model of urinary tract infections
<p>Dataset for manuscript posted at biorxiv: https://doi.org/10.1101/2021.01.03.42483 and in revision for eLife. Data corresponding to each main figure and its associated figure supplements are in seperate .zip folders.</p>
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.