Browsing by Author "STFC"

Now showing 1 - 4 of 4

Data Supporting - Simulating micelle self-assembly to assess potential for viscosity build in surfactant formulations
(2023-11-18) Anderson, Richard
.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.
Data Supporting Publication in Frontiers in Soft Matter - Simulating micelle self-assembly to assess potential for viscosity build in surfactant formulations
(2023-11-18) Anderson, Richard; Bray, David
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
Demonstrations of fast approximate variable-width broadening
(2023-09) Jackson, Adam; Farmer, Jessica
We have developed a fast approximate method of applying variable-width broadening to spectral data. This dataset contains demonstration scripts which generate the plots for a related academic manuscript. They also reproduce the parametrisation of polynomial fits to the relationship between the approximation error and the scale factor between broadening kernels used in the method. Some of the scripts use the implementation in the Euphonic library: to reproduce published results use Euphonic v1.3.0 - https://pace-neutrons.github.io/Euphonic/versions/v1.3.0.html - https://github.com/pace-neutrons/Euphonic/releases/tag/v1.3.0 Most of the scripts are written in Python. One Bash shell script is also included which needs to call the euphonic-powder-map program included in the Euphonic package. A Makefile is provided so that all plots can be generated with "make plots" using GNU Make. .yaml datafiles were derived from data in the Kyoto phonon database ("phonondb") under a CC-by license: the Phonopy calculation directories were downloaded and Phonopy was run with =--include-all= and =--nac= options to create .yaml files containing all the information needed by Euphonic.
Long-term Continuous Monitoring of Methane Emissions at an Oil and Gas Facility using a Multi-open-path Laser Dispersion Spectrometer
(2023-12-01) Weidmann, Damien
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.