READ ME File For 'Instrument Development and a Total Scattering Investigation of Aqueous Magnesium Sulfate'

Dataset DOI: 10.5258/SOTON/D2240

ReadMe Author: DANIEL JOHN MICAHEL IRVING, University of Southampton, orcid.org/0000-0002-5211-8268

This dataset supports the thesis entitled: Instrument Development and a Total Scattering Investigation of Aqueous Magnesium Sulfate 
AWARDED BY: Univeristy of Southampton
DATE OF AWARD: 2022

DESCRIPTION OF THE DATA
Data to accompany thesis. Data is split by sample and includes the RAW scattering data (.xy format, prefix sample, container and empty for Gudrun processing),
total scattering data processed (tab seperated files, .int01 (F(Q)) and .soq (S(Q)), and PDF (tab seperated file, .dofr (D(r)) and .gofr (G(r)), these are all
contained in the 'RAW_Data' folder. Where appropriatean EPSR simulation folder is also included to allow access to these refinements, functions and auxillary
routines. Additional neutron scattering data is included for 2.00M MgSO4 RTP. EPSR is required to access these refinements andcan be downloaded from:
https://www.isis.stfc.ac.uk/Pages/Empirical-Potential-Structure-Refinement.aspx. The Origin files used to create figures for the thesis are also included.
All data will allow for the replication of the total scattering processing routine and
subsequent analysis routines.

This dataset contains:
Chapter 1-5 figures (origin files)
H2O (RAW_Data and EPSR)
LaB6 (RAW_Data)
MgSO4 (Aqueous: 2.00M RTP (X-ray and Neutron (SLS68822 = H2O, SLS68823 = HDO, SLS68824 = D2O), 2.00M 274K, 2.00M 298K,
2.00M 343K, 2.66M RTP, 3.32M 328K, 3.70M 343K & Anhydrous_Solid, RAW_Data and EPSR)
Quartz (30, 60, 120, 180 & 240 minutes, RAW_Data)
Silicon (60 & 120 minutes, RAW_Data)
TiO2 (RAW_Data)

Date of data collection: 2018-2021

Information about geographic location of data collection: All X-ray data were collected in the University of Southampton, additional neutron data were collected
at ISIS, Didcot, U.K.

Related projects/Funders:
EPSRC for DTP funding (Grant No. EP/R513325/1)

Related publication:
Advantages of a curved image plate for rapid laboratory-based x-ray total scattering measurements: Application to pair distribution function analysis,
D.J.M Irving et al. https://doi.org/10.1063/5.0040694


Date that the file was created: May, 2022

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