Additional file 1 of Non-target screening of surface water samples to identify exposome-related pollutants: a case study from Luxembourg ...

Additional file 1: Figure S1. Design of Experiments (DoEs) of feature optimization workflow, with DoE3 giving best results for the April 2020 analyses. The iterative process involved the testing of parameters in three DoEs; the best slices for each DoE were visualized using perspective plots. Figure S2. Results of feature optimization workflow, with the best results in positive and negative mode for the April 2020 analyses. ...