Leaching of Postharvest Pesticides from Lemon Fruits into Liquid Foodstuffs

This dataset supports the study “Leaching of Postharvest Pesticides from Lemon Fruits into Liquid Foodstuffs” and contains all raw measurements and processed values used to evaluate the transfer of imazalil, thiabendazole, and pyrimethanil from lemon slices into beverages and liquid foods.

Two Excel files are provided:

1. Lanyi_et_al_FC_validdata.xlsx Raw validation data for the LC MS/MS method, including calibration level peak areas, replicate injections for LOD/LOQ estimation, QC samples at three levels, and full uncertainty calculations (k = 2). All intermediate steps are included to allow independent verification of method performance.
2. Lanyi_et_al_FC_rawdata.xlsx Complete experimental dataset for the leaching study. For each matrix, raw instrument outputs (“----” for non detected peaks or numerical values) are listed exactly as exported. Three injections were performed per sample; their average gives the measured concentration in the immersion liquid. Additional parameters (pH, dry matter, alcohol content, slice masses) and all calculated values (mean concentrations, uncertainties, leaching efficiencies, Pearson correlations) are included.

Handling of values below the LOQ

Raw data remain unchanged. For injection level averages, if all three injections were <LOQ, the sample concentration was set to 0; if one injection was <LOQ, it was excluded; if two were <LOQ, the result was set to 0. Each beverage/food matrix was tested in three parallel immersion experiments. If one parallel result was <LOQ, it was omitted from averaging. If all three parallel results were <LOQ, all were replaced with the LOQ value (0.2 µg/kg) to provide an upper bound estimate.

Leaching efficiency

Leaching efficiency was calculated separately for each of the three parallel immersions. If, in a given experiment, the mean concentration in the immersion liquid was <LOQ, no LE value was reported for that experiment, and it was excluded from averaging. When all three parallel experiments were <LOQ was the LOQ value (0.2 µg/kg) used in the LE formula, yielding an upper bound estimate (“<X”). Cells where LOQ substitution was applied are marked in bold purple italics.

Formatting

Grey cells represent raw instrument output. Non grey cells contain processed or calculated values.
This dataset enables full reconstruction of all calculations, figures, and statistical analyses presented in the article.