DOI: 10.15129/801889bb-e2bf-425f-85ae-54ee12aaa7ce
title: Data for: "Non-invasive monitoring of the growth of metal-organic frameworks (MOFs) via Raman spectroscopy"

description: Notes on subfolders and file naming: Folder: small_scale Subfolders THz_Raman and PXRD contain THz Raman spectra and PXRD data, respectively. Sample prefix "MaCh_AC0427A" corresponds to F4_MIL-140A(Ce) Sample prefix "MaCh_AC0427C" corresponds to F4_UiO-66(Ce) Folder: experiment_1 Subfolders insitu_PhAT and insitu_THzRaman contain in situ data. Subfolders product_PhAT and product_THzRaman contain off-line Raman spectra of the product. Subfolder product_PXRD contains PXRD data. Folder: experiment_2 Subfolders insitu_PhAT and insitu_THzRaman contain in situ data. Subfolder offline_phAT contains spectra of components. Subfolder product_PXRD contains PXRD data. Folder: experiment_3 Subfolders insitu_PhATprobe and insitu_THzRaman contain in situ data. Subfolders product_PhAT and product_THzRaman contain off-line Raman spectra of the product. Subfolder product_PXRD contains PXRD data. Folder: experiment_4 Subfolders insitu_PhAT and insitu_Hudson contain in situ data. Subfolder product_PXRD contains PXRD data. Folder: experiment_5 Subfolders insitu_PhAT and insitu_Hudson contain in situ data. Subfolder product_PXRD contains PXRD data. Folder: experiment_6 Subfolders insitu_MR, insitu_PhAT, and insitu_THzRaman contain in situ data. Subfolder product_PXRD contains PXRD data. Folder: csv data.mat contains Matlab variables, each of which have been exported as individual csv files. ---------------------------------------------- Notes on file formats: MR probe: Proprietary format is .icRaman Exported to .spc using icRaman PhAT probe: Proprietary format is .hol Exported to .spc by Holograms during data acquisition PXRD: Proprietary formats .brml and .raw Exported to .xy using PowDLL Converter THz Raman: Proprietary format is .hol Exported to .spc by Holograms during data acquisition ---------------------------------------------- Naming of Matlab variables (each individually exported to a csv). wvnm_THzR wavenumber (Raman shift) for THz Raman data wvnm_PhAT wavenumber (Raman shift) for PhAT probe data wvnm_Hdsn wavenumber (Raman shift) for Hudson probe data wvnm_MR wavenumber (Raman shift) for MR probe data screen_THzR_MIL small-scale THz Raman spectrum, target F4_MIL-140A(Ce) screen_THzR_UiO small-scale THz Raman spectrum, target F4_UiO-66(Ce) expt1_PhAT_data in situ PhAT probe data for Experiment 1 expt1_PhAT_ddx2 second derivative of Experiment 1 PhAT probe data expt1_PhAT_secs spectrum time (in s) for Experiment 1 PhAT probe data expt1_PhAT_prod off-line PhAT probe Raman spectrum of Experiment 1 product expt1_THzR_data in situ THz Raman data for Experiment 1 expt1_THzR_prod off-line THz Raman spectrum of Experiment 1 product expt2_PhAT_data in situ PhAT probe data for Experiment 2 expt2_PhAT_ddx2 second derivative of Experiment 2 PhAT probe data expt2_PhAT_secs spectrum time (in s) for Experiment 2 PhAT probe data expt2_PhAT_L spectrum of ligand solution expt2_PhAT_M spectrum of metal solution expt2_PhAT_STR spectrum of empty stirred tank reactor (vessel) expt2_THzR_data in situ THz Raman data for Experiment 2 expt3_PhAT_data in situ PhAT probe data for Experiment 3 expt3_PhAT_ddx2 second derivative of Experiment 3 PhAT probe data expt3_PhAT_secs spectrum time (in s) for Experiment 3 PhAT probe data expt3_PhAT_prod off-line PhAT probe Raman spectrum of Experiment 3 product expt3_THzR_data in situ THz Raman data for Experiment 3 expt3_THzR_prod off-line THz Raman spectrum of Experiment 3 product expt4_PhAT_data in situ PhAT probe data for Experiment 4 expt4_PhAT_ddx2 second derivative of Experiment 4 PhAT probe data expt4_PhAT_secs spectrum time (in s) for Experiment 4 PhAT probe data expt4_PhAT_a extent of crystallisation from Experiment 4 PhAT probe data expt4_PhAT_t corresponding time (in s) information for expt4_PhAT_a expt4_Hdsn_data in situ Hudson probe data for Experiment 4 expt4_Hdsn_ddx2 second derivative of Experiment 4 Hudson probe data expt4_Hdsn_secs spectrum time (in s) for Experiment 4 Hudson probe data expt4_Hdsn_a extent of crystallisation from Experiment 4 Hudson probe data expt4_Hdsn_t corresponding time (in s) information for expt4_Hdsn_a expt5_PhAT_data in situ PhAT probe data for Experiment 5 expt5_PhAT_ddx2 second derivative of Experiment 5 PhAT probe data expt5_PhAT_secs spectrum time (in s) for Experiment 5 PhAT probe data expt5_PhAT_a extent of crystallisation from Experiment 5 PhAT probe data expt5_PhAT_t corresponding time (in s) information for expt4_PhAT_a expt5_Hdsn_data in situ Hudson probe data for Experiment 5 expt5_Hdsn_ddx2 second derivative of Experiment 5 Hudson probe data expt5_Hdsn_secs spectrum time (in s) for Experiment 5 Hudson probe data expt5_Hdsn_a extent of crystallisation from Experiment 5 Hudson probe data expt5_Hdsn_t corresponding time (in s) information for expt5_Hdsn_a expt6_PhAT_data in situ PhAT probe data for Experiment 6 expt6_PhAT_ddx2 second derivative of Experiment 6 PhAT probe data expt6_PhAT_secs spectrum time (in s) for Experiment 6 PhAT probe data expt6_THzR_data in situ THz Raman data for Experiment 6 expt6_MR_data in situ MR probe data for Experiment 6 expt6_MR_ddx2 second derivative of Experiment 6 MR probe data NB. Convention used is such that each row corresponds to a spectrum. ---------------------------------------------- Additional experimental information: Expt Code Time metal added / min (expt) 1 AC0433 10 2 AC0434 9 3 AC0431 4 4 AC0436 12 5 AC0439 5 6 AC0430 11