Novel Magnetic Materials with Chemically-Tailorable Interactions (thesis data)

  • Alasdair Joseph Bradford (Creator)
  • Philip Lightfoot (Supervisor)
  • Steve Lee (Supervisor)
  • Alexandra Martha Zoya Slawin (Data Collector)
  • David Bradford Cordes (Data Collector)
  • Yuri Georgievich Andreev (Data Collector)
  • Ivan de Silva (Data Collector)
  • Ron Smith (Data Collector)
  • Mark Telling (Data Collector)
  • Tatiana Guidi (Data Collector)
  • Duc Lee (Data Collector)
  • Hubertus Luetkens (Data Collector)
  • Chennan Wang (Data Collector)
  • Clemens Ritter (Data Collector)



Neutron diffraction files:
.gsa/.gsas - GSAS raw diffraction files, examined using GSAS, GSAS-II, JANA2006 or equivalent
.dat - ASCII diffraction count vs d-spacing/TOF, for plotting
.nxs - MANID raw file, accessed using MANTID Workbench software

Neutron spectroscopy files:
.dat - ASCII energy X, Y, E, for plotting
.nxspe - MANID raw file, accessed using MANTID Workbench software
.log - log files

µSR – Muon Spin Rotation/Relaxation/Resonance files:
.bin/.nxs - Muon data files, read with WiMDA, musrfit, Mantid or equivalent

X-ray diffraction (Bragg–Brentano diffractometer Cu-Kα) files:
.xrdml - proprietary file format
.xy - converted file format, read using CrystalDiffract software or equialivent
Naming convention X (Y-Z):
X - Expected contents of sample with theorised stoichiometry
Y - Reaction vessel (autoclave) identification code
Z - Date of synthesis

Single Crystal diffraction files:
.cif - template structure file to begin refinement with measured unit cell parameters
.hkl - reflection file
Both files used in refinement within the WinGX suite using the SHELX software
Sample log included detailing samples of note

SQUID magnetometry data:
.dat/.diag/.lastscan/.raw - raw measurement files containing all sensor data
.gph - incidental plot file generated in the MPMS Multiview software
.seq - sequence file containing order of events within measurement
.txt - final measurement file generated after applying all necessary corrections for sample signal and position
Naming convention X_Y [Z]_D:
X - sample/compound identifier
Y - order of measurement operations (FW - sample warmed in applied magnetic field, FC - sample cooled in applied magnetic field, ZFC - sample cooled with no magnetic field applied)
D - start date of measurement

The data files are embargoed until 09/02/2027
Date made available9 Feb 2027
PublisherUniversity of St Andrews


  • Frustration
  • Frustrated
  • Magnetic
  • Magnetometry
  • Spin
  • Neutron
  • Muon
  • Crystallography
  • X-ray

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