Data for: "Comparison of Raman and mid-infrared spectroscopy for quantification of nitric acid in PUREX-relevant mixtures"

"TBPOKH2OHNO3_MIR_aqueous_phase_initial.csv" is a csv file containing the mid-infrared spectra of the initial aqueous phase samples 1 - 10 (3 replicate measurements of each) for the TBP/OK-H2O-HNO3 system, detailed in section 2.1.1. "TBPOKH2OHNO3_MIR_aqueous_phase_postextraction.csv" is a csv file containing the mid-infrared spectra of aqueous phase samples 1 - 10 post-extraction (3 replicate measurements of each) for the TBP/OK-H2O-HNO3 system, detailed in section 2.1.1. "TBPOKH2OHNO3_MIR_organic_phase_postextraction.csv" is a csv file containing the mid-infrared spectra of organic phase samples 1 - 10 post-extraction (3 replicate measurements of each) for the TBP/OK-H2O-HNO3 system, detailed in section 2.1.1. "TBPOKH2OHNO3_Raman_aqueous_phase_initial.csv" is a csv file containing the Raman spectra of the initial aqueous phase samples 1 - 10 (3 replicate measurements of each) for the TBP/OK-H2O-HNO3 system, detailed in section 2.1.1. "TBPOKH2OHNO3_Raman_aqueous_phase_postextraction.csv" is a csv file containing the Raman spectra of aqueous phase samples 1 - 10 post-extraction (3 replicate measurements of each) for the TBP/OK-H2O-HNO3 system, detailed in section 2.1.1. "TBPOKH2OHNO3_Raman_organic_phase_postextraction.csv" is a csv file containing the Raman spectra of organic phase samples 1 - 10 post-extraction (3 replicate measurements of each) for the TBP/OK-H2O-HNO3 system, detailed in section 2.1.1. "UTBPOKH2OHNO3_MIR_organic_phase.csv" is a csv file containing the mid-infrared spectra of the samples containing uranium and nitric acid in the organic phase (U-TBP/OK-H2O-HNO3 system), detailed in section 2.1.2. "UTBPOKH2OHNO3_Raman_organic_phase.csv" is a csv file containing the Raman spectra of the samples containing uranium and nitric acid in the organic phase (U-TBP/OK-H2O-HNO3 system), detailed in section 2.1.2. Row 1 of each csv file contains the wavenumber (for the MIR data) or the Raman shift (for the Raman data). Subsequent rows contain the spectra of the samples listed in column 1.

"TBPOKH2OHNO3_MIR_aqueous_phase_initial.csv" 是一个CSV格式文件，存储了TBP/OK-H₂O-HNO₃体系初始水相样品1~10的中红外光谱数据，每个样品进行3次平行测定，详细说明见2.1.1节。"TBPOKH2OHNO3_MIR_aqueous_phase_postextraction.csv" 是一个CSV格式文件，存储了TBP/OK-H₂O-HNO₃体系萃取后水相样品1~10的中红外光谱数据，每个样品进行3次平行测定，详细说明见2.1.1节。"TBPOKH2OHNO3_MIR_organic_phase_postextraction.csv" 是一个CSV格式文件，存储了TBP/OK-H₂O-HNO₃体系萃取后有机相样品1~10的中红外光谱数据，每个样品进行3次平行测定，详细说明见2.1.1节。"TBPOKH2OHNO3_Raman_aqueous_phase_initial.csv" 是一个CSV格式文件，存储了TBP/OK-H₂O-HNO₃体系初始水相样品1~10的拉曼光谱数据，每个样品进行3次平行测定，详细说明见2.1.1节。"TBPOKH2OHNO3_Raman_aqueous_phase_postextraction.csv" 是一个CSV格式文件，存储了TBP/OK-H₂O-HNO₃体系萃取后水相样品1~10的拉曼光谱数据，每个样品进行3次平行测定，详细说明见2.1.1节。"TBPOKH2OHNO3_Raman_organic_phase_postextraction.csv" 是一个CSV格式文件，存储了TBP/OK-H₂O-HNO₃体系萃取后有机相样品1~10的拉曼光谱数据，每个样品进行3次平行测定，详细说明见2.1.1节。"UTBPOKH2OHNO3_MIR_organic_phase.csv" 是一个CSV格式文件，存储了U-TBP/OK-H₂O-HNO₃体系（含铀与硝酸）的有机相样品的中红外光谱数据，详细说明见2.1.2节。"UTBPOKH2OHNO3_Raman_organic_phase.csv" 是一个CSV格式文件，存储了U-TBP/OK-H₂O-HNO₃体系（含铀与硝酸）的有机相样品的拉曼光谱数据，详细说明见2.1.2节。所有CSV文件的第1行分别为中红外数据对应的波数，或拉曼数据对应的拉曼位移；后续各行依次列出第1列对应样品的光谱数据。