cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.21227/qjhg-1r10
title: Odometric datas from the simulation of the odometric model

description: The odometric model is simulated herein. We described the trajectory of such one odometric model, with the delta of the heading angle given as one parameter of the simulation. The iterations show that the trajectory is well in the continuity of the variations of the heading angle. Moreover the distance in X and in Y are shown for the vehicle to be driven in the trajectory of the odometric model.
DOI: 10.5525/gla.researchdata.970
title: Ge-on-Si waveguides for sensing in the molecular fingerprint regime

description: Fourier transform infrared spectroscopy, and waveguide spectroscopy data associated with figures 1, 3, 4, & 5 of the manuscript. Data is also included for the simulated optical overlap of a waveguide mode with an analyte of varying thickness, for a range of waveguide widths and polarisations. This data relates to figure 6 in the manuscript.
DOI: 10.18430/m36i3j
title: X-ray diffraction data for the bilirubin oxidase from Myrothecium verrucaria in complex with ferricyanide (6I3J)
DOI: 10.21227/5stk-jh08
title: Transients and faults in transformer and phase angel regulators

description: The dataset contains internal faults in power transformer and phase angel regulators (PAR) in a 5-bus interconnected system. It also has 6 other power system transients which include magnetising inrush, sympathetic inrush, external faults with CT saturation, capacitor switching, non-linear load switching, and ferroresonance. There are 88128 internal fault files and 12780 files of other transient disturbances. The faults and transients are simulated in PSCAD/EMTDC and the output files are in text format.
DOI: 10.21227/kdjm-m155
title: Cooking activity dataset with macro and micro activities

description: This dataset features cooking activities with recipes and gestures labeled. The data has been collected using two smartphones (right arm and left hip), two smartwatches (both wrists) and one motion capture system with 29 markers. There were 4 subjects who prepared 3 recipes (sandwich, fruit salad, cereal) 5 times each. The subjects followed a script for each recipe but acted as naturally as possible
DOI: 10.5519/qd.quxo83g7
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.25412/iop.11397915
title: data_ERL.tar.gz

description: Dataset of large ensemble simulations of potato yields in The Netherlands. Dataset provides the large ensemble data for growing degree days and crop yield, for a present-day and 2C-warming scenario. Based on the EC-Earth global climate model (https://doi.org/10.1007/s00382-011-1228-5) and AquaCrop-OS crop model (https://doi.org/10.1016/j.agwat.2016.11.015). The large-ensemble dataset is part of the HiWAVES3 project (https://www.knmi.nl/research/weather-climate-models/projects/hiwaves3).
DOI: 10.25412/iop.11397915.v1
title: data_ERL.tar.gz

description: Dataset of large ensemble simulations of potato yields in The Netherlands. Dataset provides the large ensemble data for growing degree days and crop yield, for a present-day and 2C-warming scenario. Based on the EC-Earth global climate model (https://doi.org/10.1007/s00382-011-1228-5) and AquaCrop-OS crop model (https://doi.org/10.1016/j.agwat.2016.11.015). The large-ensemble dataset is part of the HiWAVES3 project (https://www.knmi.nl/research/weather-climate-models/projects/hiwaves3).
DOI: 10.17632/d6m6jnsbfk.1
title: smFISH data for Mol. Cell: CD44, EFNA1, KRT8, MALAT1 and oligo-dT probes; siNT part 1
DOI: 10.17632/myhkp7d39h.1
title: Data for: DATUVINK pilot study: A potential non-invasive methodology for dating ballpoint pen inks using multivariate chemometrics based on their UV-vis-NIR reflectance spectra

description: Raw data from diffuse reflectance measurements of different ballpoint pen ink brands. Spectra recorded from 200 to 2500 nm with a resolution of 0.1 nm (600 nm min-1 scan speed). Each ink sample column shows the measured reflectance data (R %) at each recorded wavelength.
DOI: 10.17632/8p45hryxnh.1
title: smFISH data for Mol. Cell: CD44, EFNA1, KRT8, MALAT1 and oligo-dT probes; siNT part 2
DOI: 10.17632/486sbrfttr.1
title: Data for: OPLS multivariate regression of FTIR-ATR spectra of acrylic paints for age estimation in contemporary artworks

description: Raw data acquired by FTIR-ATR for two paint brands and applied to the chemometric analysis. Each column gives the absorbance measured at each wavenumber recorded for each paint sample. The accelerated ageing time of each paint sample is expressed as a logarithmic function.
DOI: 10.17632/7w7n2db9b2.1
title: Data for: Direct and indirect approaches based on paper analysis by Py-GC/MS for estimating the age of documents

description: Raw chromatographic data of different types of paper. The data file contains the intensity values of each retention time recorded in the pyrogram of each sample that was used for the chemometric analysis.
DOI: 10.17632/7w7n2db9b2.2
title: Data for: Direct and indirect approaches based on paper analysis by Py-GC/MS for estimating the age of documents

description: Raw chromatographic data of different types of paper. The data file contains the intensity values of each retention time recorded in the pyrogram of each sample that was used for the chemometric analysis.
DOI: 10.17632/2jdnx2pfys.1
title: ANN for the equilibrium values of binary adsorption

description: For known kinetic parameters, trained on the numerical solutions to coupled Riccati equations, ANN gives the pair of steady state values for the components in a binary mixture.
DOI: 10.15129/4cb453c4-c3d5-4725-b266-7ede4ef39d14
title: Predictive formulation of high-solid content complex dispersions (EPSRC Project EP/N024982/1)

description: Full dataset from EPSRC project (09/16-10/19) 'Predictive formulation of high solid-content complex dispersions'. Data represents rheological measurements under various conditions of flow: Shear flow – as measured in DHR rheometer: all in folder ‘Shear Data’ and subfolders Squeeze flow – as measured in DHR rheometer and Anton Paar rheometer: all in folder ‘squeeze flow data’ Creep and relaxation tests – as measured in Haake Caber: all in folder ‘squeeze flow data’/subfolder ‘creep and relaxation tests’. Data is represented in xlsx format. Some ‘raw data’ is in .cbr Caber proprietary format but is all represented in the xlsx compiled/analysed data files. Materials: the majority of work is on cornstarch suspensions in glycerol/water mixed solvent, as indicated by subfolder and file nomenclature. There is some base data using pure glycerol for testing: in folder ‘squeeze flow data’/subfolder ‘glycerol’. The majority of data are in xlsx (Excel) format or in opj (Origin Project) format. Open source/free readers are available for these formats although further analysis and editing would require the full software versions. There are some additional representations of results in pdf and pptx formats. The above info is also available in a readme file.
DOI: 10.17632/fdtzbsw8v6.1
title: smFISH data for Mol. Cell: CD44, EFNA1, KRT8, MALAT1 and oligo-dT probes; siNXF1
DOI: 10.5281/zenodo.3667603
title: MiRoR2 - P2 - Use of test accuracy study design labels in NICE's diagnostic guidance

description: Data set for the study “Use of test accuracy study design labels in NICE's diagnostic guidance”, including list of the included NICE guidance, data extraction form, extracted data with summary of results, and extraction guidance. Reference to associated article: Olsen M, Zhelev Z, Hunt H, Peters JL, Bossuyt PM, Hyde C. Use of test accuracy study design labels in NICE’s diagnostic guidance. Diagnostic and Prognostic Research. 2019;3:17
DOI: 10.21227/wy03-mc97
title: Transients and Faults in Transformer and Phase Angel Regulators

description: The dataset contains internal faults in power transformer and phase angel regulators (PAR) in a 5-bus interconnected system. It also has 6 other power system transients which include magnetising inrush, sympathetic inrush, external faults with CT saturation, capacitor switching, non-linear load switching, and ferroresonance. There are 88128 internal fault files and 12780 files of other transient disturbances. The faults and transients are simulated in PSCAD/EMTDC and the output files are in text format.
DOI: 10.21227/bdc6-f785
title: Transients and Faults in Transformer and Phase Angel Regulators

description: The dataset contains internal faults in power transformer and phase angel regulators (PAR) in a 5-bus interconnected system. It also has 6 other power system transients which include magnetising inrush, sympathetic inrush, external faults with CT saturation, capacitor switching, non-linear load switching, and ferroresonance. There are 88128 internal fault files and 12780 files of other transient disturbances. The faults and transients are simulated in PSCAD/EMTDC and the output files are in text format.
DOI: 10.6073/pasta/cabc686803ec3dcf992e9a228aaafa5a
title: American Residential Macrosystems - Soil chemistry data within parks and residential yards in six major metropolitan areas in the United States, 2017-2018

description: "In six major U.S. metropolitan cities (Boston, Baltimore, Los Angeles, Miami, Minneapolis St. Paul, and Phoenix), 1 meter soil cores were collected to evaluate soil microbial carbon and nitrogen cycle processes that are sensitive to land management. Laboratory methods followed those used by Raciti et al. (2011a,b) to measure microbial biomass carbon and nitrogen content, microbial respiration, potential net nitrogen mineralization, potential net nitrifcation, potential denitrifcation, and pools of extractable ammonium and nitrate. "
DOI: 10.5281/zenodo.3666631
title: Dataset from Paper: What does Power Consumption Behavior of HPC Jobs Reveal?

description: The dataset in the tarball was used as job- and power-trace input for the paper "What does Power Consumption Behavior of HPC Jobs Reveal?", published at the International Parallel and Distributed Processing Symposium 2020 (IPDPS'20) in New Orleans, Louisiana. For more details on files, clusters, and data format, please see the README file in the archive.
description: This work was partially funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) -- project number 146371743 – TRR 89 "Invasive Computing".
DOI: 10.5281/zenodo.3666632
title: Dataset from Paper: What does Power Consumption Behavior of HPC Jobs Reveal?

description: The dataset in the tarball was used as job- and power-trace input for the paper "What does Power Consumption Behavior of HPC Jobs Reveal?", published at the International Parallel and Distributed Processing Symposium 2020 (IPDPS'20) in New Orleans, Louisiana. For more details on files, clusters, and data format, please see the README file in the archive.
description: This work was partially funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) -- project number 146371743 – TRR 89 "Invasive Computing".
DOI: 10.5281/zenodo.3667568
title: 3D models of moulds for Catalhoyuk artefacts

description: 3D models of moulds, e.g. the objects that once 3d printed can be used to create other objects by moulding them with different materials. These moulds are used to create copies Catalhoyuk artifacts. They have been used in the context of the EMOTIVE project (https://emotiveproject.eu/) experiences. Catalhoyuk is a neolithic archaeological site located in Konya, Turkey.
DOI: 10.5281/zenodo.3667569
title: 3D models of moulds for Catalhoyuk artefacts

description: 3D models of moulds, e.g. the objects that once 3d printed can be used to create other objects by moulding them with different materials. These moulds are used to create copies Catalhoyuk artifacts. They have been used in the context of the EMOTIVE project (https://emotiveproject.eu/) experiences. Catalhoyuk is a neolithic archaeological site located in Konya, Turkey.
DOI: 10.21227/as66-3w46
title: Transients and Faults in Transformer and Phase Angel Regulators

description: The dataset contains internal faults in power transformer and phase angel regulators (PAR) in a 5-bus interconnected system. It also has 6 other power system transients which include magnetising inrush, sympathetic inrush, external faults with CT saturation, capacitor switching, non-linear load switching, and ferroresonance. There are 88128 internal fault files and 12780 files of other transient disturbances. The faults and transients are simulated in PSCAD/EMTDC and the output files are in text format.
DOI: 10.5281/zenodo.3666385
title: Datasets of the ZKI Top Trends Survey of the ZKI Working Group Strategy and Organisation for the Year 2020

description: The Working Group Strategy and Organisation of the ZKI Association conducts an annual survey on the most important topics and focal points of the member institutions. In 2016 the survey was changed to an online survey using LimeSurvey. For the year 2020, the survey was expanded with an additional catalogue of questions on the focus "digitisation". The main catalogue of 12 core questions is standardised each year and consists of free text questions. The answers are categorized and normalised for this analysis. This file contains raw data for the survey.
DOI: 10.5281/zenodo.3666386
title: Datasets of the ZKI Top Trends Survey of the ZKI Working Group Strategy and Organisation for the Year 2020

description: The Working Group Strategy and Organisation of the ZKI Association conducts an annual survey on the most important topics and focal points of the member institutions. In 2016 the survey was changed to an online survey using LimeSurvey. For the year 2020, the survey was expanded with an additional catalogue of questions on the focus "digitisation". The main catalogue of 12 core questions is standardised each year and consists of free text questions. The answers are categorized and normalised for this analysis. This file contains raw data for the survey.
DOI: 10.5281/zenodo.3667626
title: Data for article "Brønsted and Lewis acid adducts of triazenes"

description: This upload contains raw data (NMR, IR, X-Ray) files for the article: Landman, I. R.; Suleymanov, A. A.; Scopelliti, R.; Fadaei-Tirani, F.; Chadwick, F. M.; Severin, K. "Brønsted and Lewis Acid Adducts of Triazenes." <em>Dalton Transactions</em> <strong>2020, </strong>DOI: 10.1039/D0DT00049C
DOI: 10.5281/zenodo.3667627
title: Data for article "Brønsted and Lewis acid adducts of triazenes"

description: This upload contains raw data (NMR, IR, X-Ray) files for the article: Landman, I. R.; Suleymanov, A. A.; Scopelliti, R.; Fadaei-Tirani, F.; Chadwick, F. M.; Severin, K. "Brønsted and Lewis Acid Adducts of Triazenes." <em>Dalton Transactions</em> <strong>2020, </strong>DOI: 10.1039/D0DT00049C
DOI: 10.6084/m9.figshare.11845551.v14
title: Simulated zero-crossing wave period (3-hourly, 150a) from FIO-ESM v2.0 1pctCO2 experiment r1i1p1f1

description: Simulated zero-crossing wave period (3-hourly, 150a) from FIO-ESM v2.0 1pctCO2 experiment (CO2 prescribed to increase at 1% per year) r1i1p1f1, which is branch from Jan 1, 301 of piControl experiment. The grid, named gx1v6, is the displaced pole (the North Pole displaced to the Greenland) grid with 1.1 degree in longitude and 0.27-0.54 degree in latitude.
DOI: 10.5281/zenodo.3667656
title: The Archaeology of Vidarbha, Maharashtra: A Census of Known Sites and Remains (Megalithic to Medieval)

description: This dataset comprises details of known archaeological sites and remains in the Vidarbha region of Maharashtra, India, dating between the Megalithic and Medieval periods. For further details of these data and the files contained within this dataset, see the readme file enclosed: Vidarbha_Archaeology_Readme.txt This dataset is released under a Creative Commons Attribution 4.0 International licence (CC-BY). For legal terms of the licence see: https://creativecommons.org/licenses/by/4.0/legalcode If reused, data should be cited as: Hawkes, J., Abbas, R., Casile, A., Lefrancq, C. and Toraskar, S. (2020). The Archaeology of Vidarbha, Maharashtra: A Census of Known Sites and Remains (Megalithic to Medieval). Dataset. http://doi.org/10.5281/zenodo.3667657. For further information about these data, the methods used to collect them and their analyses, please see: Hawkes, J. and Casile, A. 2020 (under review). Back to Basics: Returning to the Evidence and Mapping Knowledge in South Asian Archaeology. Asian Archaeology.
DOI: 10.17632/ddf6tpn2vb.2
title: Effect of enzymatic hydrolysis on molecular weight distribution, techno-functional properties and sensory perception of pea protein isolates

description: Results of the chemical composition, techno-functional properties and sensory perceptions from the eleven enzymes used for hydrolysis of pea protein isolates expressed as means ± standard deviation
DOI: 10.5281/zenodo.3665677
title: Project files provided as supporting information to the manuscript "Ligand-protein interactions in lysozyme investigated through a dual-resolution model"

description: <strong>README file for the project files provided as supporting information to the manuscript "Ligand-protein interactions in lysozyme investigated through a dual-resolution model"</strong> February 12, 2020 Authors: Raffaele Fiorentini, Kurt Kremer and Raffaello Potestio ================================ Overview The dataset is organised in three (compressed) subfolders (see the tree diagrams in each section): - annihilation<br> - decoupling<br> - density The figure deltaG_binding_ann_dec_comparison.png shows the results of binding free energy calculations comparing the values obtained both for annihilation and decoupling. The figure deltaG_binding_annih_gromacs_espp.png displays the results for Binding FE, comparing the values obtained in GROMACS and ESPResSo++. The README.pdf file contains detailed information about these folders and their content. ================================ The "annihilation" folder contains all results concerning the calculation of binding free energy in case of annihilation and it is divided in two parts: - complex<br> - ligand In "complex" are reported the results of Ligand-Protein FE both in ESPResSo++ and GROMACS. All simulations are fully-atomistic. In "ligand" are reported the results of ligand solvation free energy both in ESPResSo++ and GROMACS. All simulations are fully-atomistic. ==== The "decoupling" folder contains all results concerning the calculation of binding free energy in case of decoupling and it is divided in three parts: - complex-DualRes<br> - complex-FullyAT<br> - ligand In "complex-DualRes" are reported the results of Ligand-Protein FE only in ESPResSo++ (GROMACS cannot do decoupling). The system is simulated in Dual-Resolution. It is possible to find the trajectory files in the sub-directories "lambdaindex-0" and "lambdaindex-30". In "complex-fullyAT" are reported the results of Ligand-Protein FE only in ESPResSo++. The system simulated is fully-atomistic. It is possible to find the trajectory file in the sub-directories "lambdaindex-0" and "lambdaindex-30". In "ligand" are reported the results of ligand solvation free energy only in ESPResSo++. All simulations are fully-atomistic. It is possible to find the trajectory file in the sub-directories "lambdaindex-0" and "lambdaindex-20". ==== The "density" folder contains the data for the tuning of the c parameter of the steric repulsion among residues. This parameter is tuned so that the water density attains the value computed in all-atom simulations.
description: {"references": ["Fiorentini et al., Ligand-protein interactions in lysozyme investigated through a dual-resolution model, arXiv:2002.05263"]}
DOI: 10.5281/zenodo.3667659
title: Gene/Protein BridgeDb ID Mapping Database (Ensembl 91)

description: Ensembl 91 derived ID mapping database for use with BridgeDb.
DOI: 10.5281/zenodo.3665676
title: Project files provided as supporting information to the manuscript "Ligand-protein interactions in lysozyme investigated through a dual-resolution model"

description: <strong>README file for the project files provided as supporting information to the manuscript "Ligand-protein interactions in lysozyme investigated through a dual-resolution model"</strong> February 12, 2020 Authors: Raffaele Fiorentini, Kurt Kremer and Raffaello Potestio ================================ Overview The dataset is organised in three (compressed) subfolders (see the tree diagrams in each section): - annihilation<br> - decoupling<br> - density The figure deltaG_binding_ann_dec_comparison.png shows the results of binding free energy calculations comparing the values obtained both for annihilation and decoupling. The figure deltaG_binding_annih_gromacs_espp.png displays the results for Binding FE, comparing the values obtained in GROMACS and ESPResSo++. The README.pdf file contains detailed information about these folders and their content. ================================ The "annihilation" folder contains all results concerning the calculation of binding free energy in case of annihilation and it is divided in two parts: - complex<br> - ligand In "complex" are reported the results of Ligand-Protein FE both in ESPResSo++ and GROMACS. All simulations are fully-atomistic. In "ligand" are reported the results of ligand solvation free energy both in ESPResSo++ and GROMACS. All simulations are fully-atomistic. ==== The "decoupling" folder contains all results concerning the calculation of binding free energy in case of decoupling and it is divided in three parts: - complex-DualRes<br> - complex-FullyAT<br> - ligand In "complex-DualRes" are reported the results of Ligand-Protein FE only in ESPResSo++ (GROMACS cannot do decoupling). The system is simulated in Dual-Resolution. It is possible to find the trajectory files in the sub-directories "lambdaindex-0" and "lambdaindex-30". In "complex-fullyAT" are reported the results of Ligand-Protein FE only in ESPResSo++. The system simulated is fully-atomistic. It is possible to find the trajectory file in the sub-directories "lambdaindex-0" and "lambdaindex-30". In "ligand" are reported the results of ligand solvation free energy only in ESPResSo++. All simulations are fully-atomistic. It is possible to find the trajectory file in the sub-directories "lambdaindex-0" and "lambdaindex-20". ==== The "density" folder contains the data for the tuning of the c parameter of the steric repulsion among residues. This parameter is tuned so that the water density attains the value computed in all-atom simulations.
description: {"references": ["Fiorentini et al., Ligand-protein interactions in lysozyme investigated through a dual-resolution model, arXiv:2002.05263"]}
DOI: 10.5281/zenodo.3667661
title: Simulation of POPC:POPE 1:1 membrane, model by Maciejewski and Rog

description: A POPC:POPE 1:1 bilayer with 64 lipids per leaflet is simulated for 300 ns using the model by Maciejewski and Rog [1,2] and Gromacs simulation engine version 2019.4. The trajectory (.xtc) is saved every 100ps. The simulation parameters (.mdp), the energy file (.edr), the continue point to extend the simulation (.cpt), the run input parameters (.tpr), and the final structure (.gro) are also given. The lipid topologies (.itp) are attached, and they are obtained from the authors. Note that unlike in the original paper [2], buffered Verlet lists are used for efficiency. [1] DOI: 10.1016/j.dib.2016.03.067 [2] DOI: 10.1021/jp5016627
DOI: 10.5281/zenodo.3667662
title: Simulation of POPC:POPE 1:1 membrane, model by Maciejewski and Rog

description: A POPC:POPE 1:1 bilayer with 64 lipids per leaflet is simulated for 300 ns using the model by Maciejewski and Rog [1,2] and Gromacs simulation engine version 2019.4. The trajectory (.xtc) is saved every 100ps. The simulation parameters (.mdp), the energy file (.edr), the continue point to extend the simulation (.cpt), the run input parameters (.tpr), and the final structure (.gro) are also given. The lipid topologies (.itp) are attached, and they are obtained from the authors. Note that unlike in the original paper [2], buffered Verlet lists are used for efficiency. [1] DOI: 10.1016/j.dib.2016.03.067 [2] DOI: 10.1021/jp5016627
DOI: 10.7910/dvn/b74gn1
title: Rinkimų duomenys

description: Santrauka