"Data.zip" is a zip file containing the data corresponding to the paper "Use of a rugged mid-infrared spectrometer for in situ process analysis of liquids, as detailed below.
"Acetone_singlescan_Michelson.csv" is a csv file containing the single scan of acetone acquired using the Michelson-based mid-infrared spectrometer, shown in Figure 2. Row 1 contains the wavenumber and row 2 contains the spectrum.
"Acetone_singlescan_Michelson.Absorbance.spc" is an spc file containing the single scan of acetone acquired using the Michelson-based mid-infrared spectrometer, shown in Figure 2.
"Acetone_singlescan_Sagnac.csv" is a csv file containing the single scan of acetone acquired using the Sagnac-based mid-infrared spectrometer, shown in Figure 2. Row 1 contains the wavenumber and row 2 contains the spectrum.
"Solvent_mixtures_Michelson.csv" is a csv file containing the mid-infrared spectra of the ethanol, acetone and ethyl acetate mixtures detailed in section 2.2.2, acquired using the Michelson-based spectrometer (3 replicate measurements). Row 1 contains the wavenumber and subsequent rows contain the spectra of the samples listed in column 1.
"Solvent_mixtures_Michelson" is a folder of spc files containing the mid-infrared spectra of the ethanol, acetone and ethyl acetate mixtures detailed in section 2.2.2, acquired using the Michelson-based spectrometer (3 replicate measurements).
"Solvent_mixtures_Sagnac.csv" is a csv file containing the mid-infrared spectra of the ethanol, acetone and ethyl acetate mixtures detailed in section 2.2.2, acquired using the Sagnac-based spectrometer (3 replicate measurements). Row 1 contains the wavenumber and subsequent rows contain the spectra of the samples listed in column 1.
"Esterification_20degrees.txt", "Esterification_40degrees.txt" and "Esterification_50degrees.txt" are txt files containing the mid-infrared spectra acquired using the Sagnac-based spectrometer of the esterification reactions performed at 20, 40 and 50 °C respectively, detailed in section 2.2.3. Column 1 contains the timestamp for each spectrum, in minutes and seconds. Row 1 (from column 4 onwards) contains the wavenumber and subsequent rows (from column 4 onwards) contain the spectra.
"Esterification_40degrees_temperature" is a txt file containing the temperature profile corresponding to the esterification reaction performed at 40 °C, displayed in Figure 6. Column 1 contains the timestamp and column 2 contains the temperature. Acquisition of the spectra and temperature data began simultaneously, but the timestamps were not synchronised.
"Esterification_reference_spectra.csv" contains the reference mid-infrared spectra of pure acetic anhydride, butanol, acetic acid and butyl acetate detailed in section 2.2.3, acquired using the Sagnac-based spectrometer. Row 1 contains the wavenumber and subsequent rows contain the spectra of the analyses listed in column 1.
"Acetic_acid_and_butyl_acid_mixture.csv" contains the mid-infrared spectra of the 1:1 molar mixture of acetic acid and butyl acetate (5 replicates) detailed in section 2.2.3, acquired using the Sagnac-based spectrometer. Row 1 contains the wavenumber and subsequent rows contain the spectra.