Near-Infrared spectral data of wheat samples contaminated with deoxynivalenol

Overview: This dataset contains near-infrared (NIR) spectra of wheat samples sourced from Austria and France with natural deoxynivalenol (DON) contamination. Dataset Contents: Both files below include corresponding metadata (Sample_ID, country of origin and harvest year), as well as DON and total DON reference values obtained via LC-MS/MS analysis, nirs_intact.xlsx: NIR spectra of intact wheat kernels. nirs_milled.xlsx: NIR spectra of the milled wheat samples. Important Note on Outliers: Rows highlighted in red within the spreadsheets denote outlier spectra identified during the data processing phase. For complete details on the methodology and outlier detection, please refer to the associated publication: https://doi.org/10.26434/chemrxiv.15006267/v1