Data for: "Exploring the Effects of High Pressure on Hydrogen Bonding in Pharmaceutical Cocrystals: A Systematic Study of Pyridine Dicarboxylic Acid Systems Using Synchrotron and Neutron Diffraction"

  • Martin Ward (Creator)
  • Mark Warren (Creator)
  • Nicholas P. Funnell (Creator)
  • Craig L. Bull (Creator)
  • Iain Oswald (Creator)



The datasets for the determinations at high pressure for all the structures. For all structures there are X-ray diffraction images collected on either an Bruker X-ray diffractometer and the .sfrm frames can be read by APEX4 software. The data collected at Diamond Light Source is in CBF format and can be read by CrysalisPro. For PYOX and PYMA2to1 there is an extra folder with neutron diffraction dat that is given in .dat file. These are ASCII files that can be read by any data software such as excel or Origin. There is a Data-summary.xls that contains the pressure and the data collections for the X-ray data and in the Neutron folder of PYOX there is an Oswald-RB2010054-runlist.xls that contains the tonne load for each dat file or set of dat files. The raw neutron data can also be accessed via doi:10.5286/ISIS.E.RB2010054
Date made available29 Jun 2023
PublisherUniversity of Strathclyde

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