Data for: Advanced Spectral Deconvolution of Serum ATR-FTIR Highlight the Serum nucleic acid in Early Sepsis Diagnostics and its cfDNA Characterization
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========================================================================DATASET README: Serum ATR-FTIR Spectral Features for Sepsis Diagnostics======================================================================== 1. GENERAL INFORMATION----------------------Title: Advanced Spectral Deconvolution of Serum ATR-FTIR Highlight the Serum nucleic acid in Early Sepsis Diagnostics and its cfDNA CharacterizationAuthors: Xuejie Wang, Wei Xin, Tangdong Chen, et al. 2. DATASET STRUCTURE & HIERARCHY--------------------------------The data is organized into two primary modules: A. Mouse_CLP_Data (Sepsis Mouse Model) |-- CLP_Mouse_Dynamic_Progression/ | |-- Raw_Spectra/ (Original .spa and .csv files from 30m to 1w post-CLP) | |-- Processed_Spectra/ (Baseline corrected and smoothed spectra) | |-- Mouse_Dynamic_Peak_Area.xlsx (Integrated area of 1140-1000 cm-1 region) | |-- Mouse_Dynamic_GFEB_Features.xlsx (Deconvoluted Gaussian band features) |-- CLP_Mouse_Outcomes/ | |-- Raw_Spectra/ | |-- Processed_Spectra/ | |-- CLP_Mouse_Outcomes_Metadata.xlsx (Survival, temperature, weight data) | |-- Mouse_Outcomes_Peak_Area.xlsx | |-- Mouse_Outcomes_GFEB_Features.xlsx B. Patients_Data (Clinical Validation) |-- Patient_Clinical_Information.xlsx (Anonymized: PCT, IL-6, SOFA, etc.) |-- Patients_Spectral_Data/ |-- Raw_Spectra/ (Sepsis, Control, and cfDNA groups) |-- Processed_Spectra/ (Sepsis, Control, and cfDNA groups) |-- Patients_Peak_Area.xlsx (Feature matrix for diagnostic models) |-- Patients_GFEB_Features.xlsx (Features for ML classification) |-- cfDNA_Analysis_Subfolder/ |-- cfDNA_Peak_Area.xlsx |-- cfDNA_GFEB_Features.xlsx |-- cfDNA_UV_Concentration.xlsx (UV spectrophotometry reference) 3. METHODOLOGICAL SPECIFICATIONS--------------------------------- Instrumentation: Thermo Fisher Scientific Nicolet iS50 (ATR mode)- Spectral 4. CONTACT--------------------------------------------------For questions regarding data or code, please contact:Guoqiang Bao (guoqiang@fmmu.edu.cn) or Lijuan Yuan (lijuanyuan@fmmu.edu.cn).
