LC-HRMS files from wastewater samples collected in Portugal

LC-HRMS files corresponding to wastewater samples associated to the paper:

M.F.T. Sá et al. Tracking pollutants in a municipal sewage network impairing the operation of a wastewater treatment plant. Science of the Total Environment, 2022, 817, 152518. DOI: 10.1016/j.scitotenv.2021.152518

These files contain the LC-QTOF-HRMS data associated with the manuscript:

Please note:

Data was acquired with an Agilent 6550 QTOF in both:
- AutoMSMS (data-dependent acquisition, DDA) 
- All Ions (data-independent acquisition, DIA)

Data is provided in Agilent MassHunter B.10.00 format.

In the case of AutoMSMS the iterative mode with two injections per sample was employed.
Further details on how samples were processed is presented in the manuscript.

Data is therefore structure in two folders, one for DDA and one for DIA.
Each folder is then further divided between positive and negative mode.

Files are named accordingly to the sample, using the same codes than in the manuscript.
The number after the code refers to the sample campaign.
Besides, there are "A" and "B" files in the DDA files, corresponding to the first and second iterative injection, respectively.

As an example, the file:
"PVZ-2 2_B.d" in the AutoMSMS_DDA (either pos or neg) folder:
corresponds to the sample PVZ-2 from the second sampling campaign and second injection

If you reuse this data, please cite this dataset (DOI: 10.5281/zenodo.5830725) and the orginal article cited above (DOI: 10.1016/j.scitotenv.2021.152518)