Cocrystallisation of theophylline and malonic acid terahertz time-domain spectroscopy raw data

This dataset contains the raw experimental data supporting the publication "Unveiling the Role of Halogen Bonding in a Pharmaceutical Cocrystal of Isoniazid with 1,4-Diiodotetrafluorobenzene". The data comprises raw terahertz time-domain spectroscopy (THz-TDS) waveforms for the spectra presented in the manuscript. The data was collected to investigate the vibrational modes and intermolecular interactions in a cocrystal of isoniazid and 1,4-diiodotetrafluorobenzene. The measurements were performed using a commercial terahertz time-domain spectrometer (TeraView Spectra 4000). Samples were prepared by pelletising the materials with polyethylene (PE) powder. Each file represents a time-domain waveform, which is the direct output from the spectrometer. These raw data require processing to be converted into the frequency-domain spectra (i.e., absorption spectra) that are shown as figures in the associated publication. The data can be opened, processed, and analysed using the open-source Python library thzpy (https://github.com/dotTHzTAG/thzpy) or its graphical user interface, CaTSper (https://github.com/dotTHzTAG/CaTSper). There are no limitations on the reuse of this data. The dataset does not contain any third-party or sensitive information.