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DATASET README: Serum ATR-FTIR Spectral Features for Sepsis Diagnostics
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1. GENERAL INFORMATION
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Title: Advanced Spectral Deconvolution of Serum ATR-FTIR Highlight the Serum nucleic acid in Early Sepsis Diagnostics and its cfDNA Characterization
Authors: Xuejie Wang, Wei Xin, Tangdong Chen, et al.

2. DATASET STRUCTURE & HIERARCHY
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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
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- Instrumentation: Thermo Fisher Scientific Nicolet iS50 (ATR mode)
- Spectral

4. CONTACT
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For questions regarding data or code, please contact:
Guoqiang Bao (guoqiang@fmmu.edu.cn) or Lijuan Yuan (lijuanyuan@fmmu.edu.cn).
