cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/edata/958
title: Low-frequency contributions in the radiative efficiencies of HFC-236fa, HFC-245fa and HFC-43-10mee over the 225 - 298 K temperature range

description: Hydrofluorocarbons (HFCs) are used as substitutes for ozone-depleting substances regulated under the Montreal Protocol. While having zero ozone depletion potential, HFCs strongly absorb infrared radiation, making them potent greenhouse gases. Vibrational modes associated with C--F stretching absorb strongly within the atmospheric window (750 --1250 cm-1), contributing substantially to radiative forcing. The low-frequency region (&lt; 500 cm-1), which accounts for approximately 16% of the Earth’s thermal emission, has however remained largely unexplored mainly due to instrumental challenges. Here, we present the first experimental measurements of infrared (IR) absorption cross-sections in the 150--500~cm-1 range for HFC-236fa, HFC-245fa, and HFC-43-10mee - three industrially relevant compounds with high global warming potentials (GWPs). The spectra were recorded at the Rutherford Appleton Laboratory using a high-resolution Fourier-transform infrared (FTIR) spectrometer in the temperature range between 225 and 298 K at resolution of 0.25 cm-1. In addition, IR cross section spectra were simulated through quantum chemical (QC) calculations including a non-empirical treatment of anharmonic effects. From the experimental results, we derived radiative efficiencies (REs) in the low frequency region of 0.001, 0.005, and 0.003 Wm-2 ppbv-1 for HFC-236fa, HFC-245fa, and HFC-43-10mee, respectively, and revised global warming potentials over 20-, 100-, and 500-year time horizons. Comparison with values reported in the WMO Ozone Assessment Report 2022 reveals minor differences for HFC-245fa and HFC-43-10mee, whereas HFC-236fa shows a significant overestimation, corresponding to a discrepancy of approximately 700 units in the 100-year GWP. On the other hand, our theoretical predictions reproduced the experimental spectra with average deviations below 5%, confirming the reliability of the computational approach even in the low-frequency region. These findings highlight that small variations in the treatment of low-frequency absorptions can propagate into substantial contributions in climate metrics, particularly for long-lived compounds. Overall, this study provides a consistent experimental--theoretical framework for quantifying the radiative forcing of HFCs and reducing current uncertainties in the estimation of their climate-relevant parameters. The dataset comprises: (i) The corresponding raw transmission data of the HFCs measured by the spectrometer, for different sample pressures and temperatures. (ii) The derived experimental absorption cross-section data. The full details are in the associated paper to the data repository.
DOI: 10.5286/edata/961
title: Data for: The inner-shell ionization and fragmentation of selenophene at 120 eV

description: The file in this repository (aq386.h5) is the data presented in the paper titled above. This study used time-of-flight velocity map ion imaging to measure the three-dimensional momentum distributions of ions produced following site-selective ionization of selenophene at the Se 3d orbitals. Covariance analysis was used to extract the relative abundances and recoil dynamics of over 50 fragmentation pathways, including two-body and many-body (3+) fragmentation channels of molecular polycations. The experimental conditions used in this study are the same as those described in the following published articles [https://iopscience.iop.org/article/10.1088/1361-6455/ad8799, https://doi.org/10.1039/D2CP03029B]. The data was recorded at the soft X-ray beamline (BL1) of the Spring-8 Compact Angstrom free electron Laser (SACLA) in Japan in December 2022 during the beamtime for proposal number 2022B8048. The data uploaded are constructed from the three delay-line layers of the RoentDek hexanode delay line detector used in the experiment. The data includes the following information (which can be viewed using a hdf5 viewer such as the online https://myhdf5.hdfgroup.org/): ‘delay_calibrated’, ‘delay_jitter’, ‘delay_motor’, ‘delay_offset’ – these parameters are for time-resolved pump probe measurements. However, this dataset is not time-resolved and so these values can be disregarded; ‘fel_intensity’, ‘fel_shutter’, fel_status’ – parameters defining the operation status of the free electron laser; ‘laser shutter’ – optical lasers were not used in this measurement and so this value can be disregarded; ‘nions’, ‘nlistpos’, ‘tagevent’, ‘tma_flag’ – parameters defining the count rate conditions of the experiment. ‘tagevent’ is the laser shot identifying number given to groups of ions produced within the same laser shot; ‘tof’, ‘xpos’, ‘ypos’ – the time-of-flight, x-position, and y-position of ions hitting the position-sensitive detector. These values are used to calculate the three-dimensional momentum information for each ion hitting the detector per laser shot.
DOI: 10.5286/edata/717
title: SPIE - Debris studies for high-repetition rate and high-power laser experiments at the Central Laser Facility

description: High frame rate camera data taken using the Gemini Laser. Data taken in 2016 and 2017 during facility access experiments (HAMS). Experiment PI: Christopher Spindloe Motivation - to test the HAMS system under Gemini operating conditions. Camera - Photron fastcam and Andor Neo Data is fast cam videos taken to look at debris production from different targets of the HAMS system and target survivability
DOI: 10.5286/edata/940
title: STL files & pressure drop laboratory test videos for "Optimising a photon absorber using conformal cooling channels and additive manufacturing in copper"

description: Folder contains .STL files in low and high resolution for: _ Cylinders and wall thickness benchmark artefact. _ Teardrop and Gyroids benchmark artefact. _ Coil and Horizontal designs used in SLA transparent resin print _ Coil and Horizontal designs used for Copper printing. This dataset also include 2 videos showing: _ Horizontal design pressure drop test _Coil design pressure drop test These datasets are detailed in the paper submitted to Journal of Synchrotron Radiation titled "Optimising a photon absorber using conformal cooling channels and additive manufacturing in copper"
DOI: 10.5286/edata/915
title: Data Supporting Publication in Frontiers in Soft Matter - Simulating micelle self-assembly to assess potential for viscosity build in surfactant formulations

description: Data relating to the publication of the publication entitled "Simulating micelle self-assembly to assess potential for viscosity build in surfactant formulations" Summary of data available: [1] Nagg_data_repository.zip - contains the raw data for aggregation behaviour over time. [2] .agr files corresponding to figures 4, 5, 6, 7 and 8 in the published article. These .agr files can be used to plot the observed behaviours in Xmgrace. Each .agr file contains the raw data in the plots and this can be extracted for use in other plotting algorithms. [3] Example input files for DL_MESO required to complete simulations in the article [4] shape.zip - contains the raw data obtained for average shape metrics
DOI: 10.5286/edata/754
title: EMMC Software and Modelling Questionnaire

description: EMMC Software and Modelling Questionnaire and associated analisys and graphs
DOI: 10.5286/edata/732
title: 3D datasets for "Thermal transients in a U-Bend"

description: Data accompanying the manuscript "Thermal transients in a U-Bend" submitted to the International Journal of Heat and Mass Transfer (IJHMT) July 2019. 3D volumetric cell-centre data, in vtk format (readable by Paraview, https://www.paraview.org/, for instance) at times \tilde{t}=0, 15, 30, 45, and 70 are enclosed. The file names are {SOLID|FLUID}_t{N}.vtu which denote data for either the fluid or solid domain at time \tilde{t}=N. The field variables comprise: "T"; the ensemble averaged normalised temperature. "V"; the ensemble averaged normalised velocity. "uu", "uv", etc.; the ensemble averaged resolved Reynolds stress components, normalised by bulk velocity.
DOI: 10.5286/edata/919
title: Long-term Continuous Monitoring of Methane Emissions at an Oil and Gas Facility using a Multi-open-path Laser Dispersion Spectrometer

description: A method for methane emissions monitoring at industrial facility level was developed based on a high precision multi-open-path laser dispersion spectrometer. This dataset contains the methane path-averaged concentrations spatially distributed over the facility under study, together with local meteorology data. The dataset contains 3 months of continuous (24h/7d) measurements at an operational gas processing and distribution facility. Files are in the NetCDF format. Each files contains the same 8 variables: - TIME_STAMP_DAYS - The time stamp for each measurement expressed in Julian Days. - CH4_CONC_PPM - The path averaged methane concentration in ppm. - CH4_CONC_ERROR_PPM - The measurement random error on the path integrated methane concentration in ppm. - PRESS - The local atmospheric pressure in Torr. - TEMP - The local atmospheric temperature in K. - WIND_DIR_DEG - The local wind direction in degrees from true North. - WIND_MAG_M_S - The local wind velocity magnitude in m/s. - RETRO_ID - ID integer identifying the retro-reflector used for a particular open-path.
DOI: 10.5286/edata/901
title: 3D dataset of the X-ray Computed Tomography and plugin graph results

description: Part 1/2: The first half of the dataset is composed of the Avizo plugin, which can be found in the DOI http://dx.doi.org/10.5286/edata/900 Part 2/2: This second half of the dataset is composed of the X-ray computed tomography data used in the study and their outputs. 2.a is composed of the XCT region of interest (ROI) showing the individual micro drilled holes, previously measured in the SEM. 2.b contains the isolated cube ROI used in the porosity analysis. 2.c contains the plugin graph outputs for each hole, when using the Avizo plugin. The XCT data in 2.a and 2.b is a subvolume of the full scan of an additive manufactured flexure containing a reference pin with micro drilled holes, measured in the scanning electron microscope (SEM). The scan settings included a voltage of 145 kV, filament current of 41 µA, number of projections of 1650 and a voxel size of 8.5 µm × 8.5 µm × 8.5 µm. After reconstruction, the scan was converted from 32 bit to 8-bit, aligned to the CAD and resampled, resulting in a voxel size change to 9.4 µm × 9.4 µm × 8.8 µm. Detailed use of the XCT scan dataset and resulting plugin graphs can be found in the study titled "Development of a modular system to provide confidence in porosity analysis of additively manufactured components using X-ray computed tomography".
DOI: 10.5286/edata/905
title: Molecular simulation trajectories and atomic interaction descriptions of 1,1,1,2-tetrefluoroethane liquids.

description: Data on raw atomic trajectories (5 ns) produced by DL_POLY molecular dynamics simulation package. The system model is described in the DL_F Notation, which contained chemical information of the atoms. The DL_ANALYSER Notation for Atomic Interaction (DANAI) is used to annotate the atomic interaction networks in the system, to provide an overall view of the molecular interaction behaviour. The dataset contains five different sets of simulation data, over a range of temperatures: 203K, 233K. 263K. 293K and 323K.
DOI: 10.5286/edata/746
title: Adsorption of simple gases into the porous glass MCM-41

description: Gudrun and EPSR input and output data files for the paper "Adsorption of simple gases into the porous glass MCM-41" by Alan K Soper and Daniel T Bowron, to be published in J. Chem. Phys., 2021
DOI: 10.5286/edata/735
title: Stable High Energy, High Repetition Rate Frequency Doubling in Large Aperture Temperature Controlled LBO at 515 nm

description: Energy meter readings Camera data FF and NF Infrared camera data
DOI: 10.15468/dl.zw33g5
title: Occurrence Download

description: A dataset containing 96 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "OccurrenceStatus is Present",
 "TaxonKey is Salvinia natans"
 ]
}

 The dataset includes 96 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015132-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5286/edata/955
title: Simulation study of Low Frequency Radiation in a 3D Cavity produced by transit of wakefield bunch

description: Simulation data produced using Vacuo3D for PPCF-105330 Organized accoring to simulations listed in paper (A1-A5, B1- B4) provides blcinp.dat : which gives the profile of the conducting cavity used and is a Vacuo input file readin.in : input deck probe.dat and probe2.dat : contain the time series of the E-field probe that was used to generate the spectra in the paper
DOI: 10.5286/edata/957
title: Characterisation and mitigation of RF knockout during beam stacking - ISIS experimental data

description: Data used in the paper titled - Characterisation and mitigation of RF knockout during beam stacking The data consists of .tek and .npz binary files. The files have data keys "time" and "data". The data can be read into Python using the example script provided. The spreadsheet provides guide to each data file and its contents as well the relevant figure in the paper.
DOI: 10.5286/edata/911
title: Outgassing Measurements for "Lightweighting large optomechanical structures in astronomy instrumentation utilising generative design and additive manufacturing"

description: Dataset contains raw text files from outgassing measurements of Wire-Arc Additive Manufactured (WAAM) samples presented in the conference paper "Lightweighting large optomechanical structures in astronomy instrumentation utilising generative design and additive manufacturing" (SPIE Optomechanical Engineering 2023) Files contain the pressure and temperature measurements used to calculate outgassing rates for the WAAM samples. For details of the analysis see the paper and the associated GitHub repository. README contains information on raw file format.
DOI: 10.5286/edata/937
title: Low energy phonons in single crystal ZrW2O8

description: Inelastic neutron scattering data on ZrW2O8 at several temperatures, in Horace software sqw format. Also Matlab m-file that can be used with these data files to generate plots from the paper of the same name as the submission
DOI: 10.15468/dl.9f3uv4
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is A new species of Andinobates (Amphibia: Anura: Dendrobatidae) from west central Panama"
 ]
}

 The dataset includes 6 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015133-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5286/edata/751
title: Data supporting the publication: "How Many Molecules Can Fit in a Zeolite Pore? Implications for the Hydrocarbon Pool Mechanism of the Methanol-to-Hydrocarbons Process"

description: The dataset consists of an Excel spreadsheet containing two pages. The first page lists the molecules, the volume of the unit cell, the number of molecules in the unit cell and the volume per molecule, together with the reference for the crystal structure. The second page lists the molecules and the information needed to calculate the volume per molecule from the density of the liquid.
DOI: 10.5286/edata/903
title: Data associated with the manuscript 'Efficient and stable second harmonic conversion, at the 0.5 kW-level, of a diode-pumped Yb:YAG laser'

description: This dataset contains the experimental data presented in the manuscript 'Efficient and stable second harmonic conversion, at the 0.5 kW-level, of a diode-pumped Yb:YAG laser'. In the manuscript, efficient and stable, type-I phase matched second harmonic conversion of a nanosecond high-energy, diode-pumped, Yb:YAG laser is presented. With the frequency doubling crystal in an enclosed, temperature-controlled holder with optical windows, an RMS energy stability of 0.49 % was achieved for a period of approximately half an hour. This resulted in 48.9 J pulses at 10 Hz (489 W) and a conversion efficiency of 73.8 %. The dataset includes data for a range of set-point temperatures (30, 40, 50 and 70 dgerees) for the two temperature-controlled (TC) holders, TC1 and TC2. 'HJ-D-P4-EM-1' is the input energy at 1030 nm. 'HJ-SHG-1W' is the residual 1030 nm energy after the frequency doubling crystal. 'HJ-SHG-2W' is the converted 515 nm energy after the frequency doubling crystal.
DOI: 10.5286/edata/750
title: Data supporting the publication: "Structure and spectroscopy of methionyl-methionine for aquaculture"

description: This dataset provides the data that forms the basis of the publication: "Structure and spectroscopy of methionyl-methionine for aquaculture" (S.F. Parker, N.P. Funnell, K. Shankland, E. Kabova, T. Häußner, H.-J. Hasselbach, S. Braune, C. Kobler and P.W. Albers, Scientific Reports 11 (2021) 458 [doi: 10.1038/s41598-020-80385-z]). The dataset consists of a README file and three zip files: "A-Crystallographic_information", "B-Experimental_spectra", "C-CASTEP". "A-Crystallographic_information.zip" contains cif files of the structures. These can be read by any text reader or loaded into any suitable program e.g. Jmol (available from: http://jmol.sourceforge.net/ ) to display the structure. The crystal data is summarised in the file: Crystallography tables for paper.pdf. "B-Experimental_spectra.zip" contains the vibrational spectra: infrared, Raman and INS, all have a .dat extension and can be viewed with any text reader or can be loaded into programs such as Excel or Origin to display the spectra. The filename is the name of the compound and ends in _IR for infrared, _Raman for Raman and _INS for INS data. The infrared and Raman data consists of two columns of ASCII data. Column 1 is the energy transfer in wavenumber (cm-1), column 2 is the intensity (Absorbance for the infrared data, arbitrary units for the Raman data). The INS data consists of three columns: column 1 is the energy transfer in wavenumber (cm-1), column 2 is the intensity, S(Q,w) (arbitrary units), and column three is the error bar of the intensity given in column 2. There are three spectra listed sequentially in each file and separated by 0,1,2. The first "0" are the data from the backscattering detectors, "1" are the data from the forward scattering detectors and "2" is the arithmetic average of the forward and back scattering detectors. "2" is the spectrum that is normally displayed and is that shown in the Royal Society Open Science paper and on the INS database. "C-CASTEP.zip" contains the input (.cell and .param) and output (.castep) from the geometry optimisation using the CASTEP (version 17.21) program. The output file includes the geometry optimised structure. The CASTEP input files (.cell and .param) and the output files (.castep and .phonon) for the vibrational calculation have the same stem as for the geometry optimisation but have _Efield appended. The .phonon file includes both the transition energies and atomic displacements for all the atoms in each mode.
DOI: 10.5286/edata/914
title: Data Supporting - Simulating micelle self-assembly to assess potential for viscosity build in surfactant formulations

description: .agr files corresponding to figures 4, 5, 6, 7 and 8 in the published article. These .agr files can be used to plot the observed behaviours in Xmgrace. Each .agr file contains the raw data in the plots and this can be extracted for use in other plotting algorithms. .csv file containing the data presented in table 3 in the published article.
DOI: 10.5286/edata/712
title: Time-resolved measurements of fast electron recirculation for relativistically intense femtosecond scale laser-plasma interactions

description: This data was generated from a 2013 Gemini experiment (Central Laser Facility) investigating fast electron transport in solid targets. The data was obtained from an optical probe that was reflected off the rear surface of the targets and collected using a single lens imaging system, before being split between three cameras that were filtered by wavelength. A 10 mm apodised portion of a second Gemini laser was used as a rear surface optical probe, incident at an angle of 40 degrees relative to target normal in a p-polarised orientation. The beam was chirped to a pulse length of between 0.3 and 5 ps by detuning the compressor. At the shortest pulse duration (300 fs) the temporal resolution was ~100 fs. By using a linear chirp, a linear relationship between wavelength and probe timing could be assumed, the shortest wavelengths (~780nm) probing earliest in time, the longest ~820nm) latest in time. In order to separate the time windows, three CCD cameras were using in the imaging line, with a different bandpass filter in front of each camera (see Green et al. J. Inst. 2014 http://dx.doi.org/10.1088/1748-0221/9/03/P03003 for more details). An f=40 cm achromatic lens was used to image the target rear surface, yielding a spatial resolution of 6um at 800 nm, and a magnification of x7. The timing of the rear surface probe relative to the main pulse was also varied with the use of a timing slide. In order to make quantitative measurements of the rear surface reflectivity a reference image of each target was first obtained by just firing the probe beam of the Gemini laser. A second image was then taken with both the probe beam and main interaction pulse incident on the target, with the timing between the two varied on each shot. By normalising the on-shot reflectivity map with the reference reflectivity map obtained from the undisturbed foil, a clear 2D measurement of any change in target reflectivity was obtained.
DOI: 10.5286/edata/933
title: Dataset supporting the publication: "Pagodane – Solution and Solid-state Vibrational Spectra" published in Physchem (2024).

description: This dataset supports the publication: Pagodane – Solution and Solid-state Vibrational Spectra, (Stewart F. Parker, Hannah E. Mason and Campbell T. Wilson, Physchem (2024)). The dataset consists of a README file (README_Parker_Pagodane_dataset.txt), two zip files: "A-Experimental_spectra", "B-CASTEP". and an image file: Pagodane.jpg. The README describes the contents of the archive. A-Experimental_spectra.zip contains the solution and solid-state infrared, Raman and inelastic neutron scattering spectra. B-CASTEP.zip contains the input and output files for the CASTEP calculation of the complete unit cell at the experimental lattice parameters, with optimised lattice parameters and the D2h symmetry isolated molecule.
DOI: 10.5286/edata/704
title: Creation and characterization of free-standing cryogenic targets for laser-driven ion acceleration paper

description: Data used in the publication "Creation and characterization of free-standing cryogenic targets for laser-driven ion acceleration". A technique for the creation of free-standing cryogenic targets for laser-driven ion acceleration is presented, which allows to create solid state targets consisting of initially gaseous materials. In particular, the use of and the methods for its preparation as a target material for laser-driven ion acceleration are discussed. Moving in the phase diagram through the liquid phase leads to the substance covering an aperture on a cooled copper frame where it is solidified through further cooling. An account of characterization techniques for target thickness is given, with a focus on deducing thickness values from distance values delivered by chromatic confocal sensors. The target type covered in this publication was used for experiment 13210007, Vulcan, Target Area Petawatt.