DOI: 10.17863/cam.113853
title: Research data supporting: "Synthesis and characterisation of new materials formed from metal-organic frameworks and glasses"

description: A readme.txt is available alongside the dataset. File List: Folder for each thesis chapter and appendix. Within each folder, are folders pertaining to each figure, except SEM and optical microscope images which are available in the thesis (main text and appendix). -Raw (.raw) files generated from PXRD diffractometer directly, these were then converted to .xy files using PowDLL. - .UA files (SDT files) generated directly from Discovery SDT 650; raw data were opened using TA Instruments Thermal Analysis software (Advantage/Universal Analysis (UA) Software) and exported as an excel spreadsheet. - .ngb-ddg files generated directly from NETSCH DSC 214 Polyma calorimeter, these files were opened in Netzsch Proteus® software package and exported as .csv files. -FTIR .txt files were exported directly from the FTIR spectrometers (Bruker Tensor 27 FTIR spectrometer or Thermo Fisher Scientific Nicolet iS50 FT-IR spectrometer). These can be opened in notepad or excel or equivalent programmes. -Raman spectra sent directly from collaborators (University of Jena) as .xlsx data which can be opened using Microsoft Excel. - .int01 and .dofr files generated using GudRunX software. Raw data from synchrotron was opened as .xy files in GudRunX, the data was processed (as described in thesis) and .int01 and .dofr files were automatically generated. - PCA and MLR analysis performed in Origin Pro Graphing software, the output data was copied into .xlsx spreadsheets as described in thesis. - .cif files downloaded directly from CCDC database, distances (Figure 4.54) were generated using CCDC’s Mercury software and exported directly from Mercury. - 31P NMR data sent directly from collaborators (Universidad Autónoma de Madrid) as .opju files which were opened in Origin Pro Graphing software. Gaussian fitting was performed in Origin Pro Graphing software and data were copied to Microsoft Excel. -Nanoindentation data was sent directly from collaborators (University of Jena) as .opju files which were opened in Origin Pro Graphing software (Figures 4.71-4.72) and data were copied to Microsoft Excel. -EDX .spx files generated on FEI Nova Nano SEM 450 electroscope and can be opened in ESPRIT software (Bruker). -Data for CO2 isotherms and N2 isotherms (50-70 wt% composites, Ch5 and Ch7 Fig 7.14) were sent directly from collaborators (National Institute of Chemistry, Slovenia) as .opju files which were opened in Origin Pro Graphing software which were copied and pasted into Microsoft Excel. - .smp files were generated by Micromertics ASAP 2020 machine, data was then exported into Microsoft Excel using Micromeritics’ MicroActive software. -Rietveld refinement of VT-PXRD data (Ch5, Fig 5.47-5.50): ‘.xy’ files are the raw data from the diffractometer (converted from .raw using PowDLL), these were used in the Rietveld refinement Topas input file (.inp) generated using jEdit Programmer’s text editor. - Compression tests results (Ch6, Fig 6.26) were sent directly as an .opju file by collaborators (University of Jena). Data were copied into Microsoft Excelt and saved as .xlsx files. -Gas adsorption data (CO2, N2) for Ch6 samples (Fig 6.27-6.28) were sent as .SMP and the extracted .xlsx files by collaborators (University of Valencia). - .dsw and .bsw files were generated directly on Agilent UV-VIS spectrophotometer; data were exported as .xlsx or .csv files using Agilent’s Cary WinUV Software platform. (.BSW file in Ch6 Fig 6.29 contains UV/VIS absorbances of PIM-1, agZIF-62 and (PIM-1)0.5(agZIF-62)0.5 composite). - .spa files (Ch7 FTIR) were generated directly using a Nicolet iS50 FT-IR spectrometer. These were exported as .csv files using Thermo Fisher Scientific’s Omnic Series Software. - Mass loss data (Fig 7.18) generated by physically weighing samples and recording mass in Microsoft Excel spreadsheet. - pH values (Fig 7.23) were generated by physically recording pH values obtained and inputted in Microsoft Excel spreadsheet. - Microsphere sizes (Fig 7.6, 7.26) were recorded using the associated SEM images and inputted in Microsoft Excel spreadsheet. -Folder: Appendices: A3, A6, A26-28, A39, A56-60, A79, A82-83, A86-89: raw 1H NMR spectra obtained directly from Bruker Advance III HD 500 MHz at the Department of Chemistry, University of Cambridge.