README file
Data Set Title: MADFORWATER. WP2 Adaptation of wastewater treatment technologies for agricultural reuse. Task2.3 Agro-industrial wastewater treatment. Subtask2.3.2 Treatment of fruit and vegetable packaging wastewater
Data Set Author: Monika Čvančarová (Institute for Ecopreneurship, School of Life Sciences, University of Applied Sciences and Arts Northwestern Switzerland, Hofackerstrasse 30, Muttenz CH-4132, Switzerland) 

Data Set Contributors: Jan Svojitka (Institute for Ecopreneurship, School of Life Sciences, University of Applied Sciences and Arts Northwestern Switzerland, Hofackerstrasse 30, Muttenz CH-4132, Switzerland); Philippe Corvini (Institute for Ecopreneurship, School of Life Sciences, University of Applied Sciences and Arts Northwestern Switzerland, Hofackerstrasse 30, Muttenz CH-4132, Switzerland), https://orcid.org/0000-0002-2991-5031

Data Set Contact Persons: Monika Čvančarová (Institute for Ecopreneurship, School of Life Sciences, University of Applied Sciences and Arts Northwestern Switzerland, Hofackerstrasse 30, Muttenz CH-4132, Switzerland), monikacvancarova@seznam.cz; Philippe Corvini (Institute for Ecopreneurship, School of Life Sciences, University of Applied Sciences and Arts Northwestern Switzerland, Hofackerstrasse 30, Muttenz CH-4132, Switzerland), https://orcid.org/0000-0002-2991-5031, philippe.corvini@fhnw.ch.

Data Set License: this data set is distributed under a Creative Commons Attribution 4.0 International (CC BY 4.0) license, https://creativecommons.org/licenses/by/4.0/. 

Publication Year: 2020
Project Info: MADFORWATER (DevelopMent AnD application of integrated technological and management solutions FOR wasteWATER treatment and efficient reuse in agriculture tailored to the needs of Mediterranean African Countries), funded by European Union, Horizon 2020 Programme. Grant Agreement num. 688320; http://www.madforwater.eu/.  
Data set Contents
The data set consists of:
•	a compressed folder named M4W_WP2_T2-3-2_AgroIndustrialWW_MBBR_part1.zip containing
o	a  tabular  file saved in .ods format 
M4W_WP2_T2-3-2_DegradationFungicides_part1.ods
o	a .pdf file containing data graphical representation
M4W_WP2_T2-3-2_MSSpectra.pdf
o	a subfolder named MSSpectra containing numerical tabular data constituting 44 MS spectra
•	a compressed folder named M4W_WP2_T2-3-2_AgroIndustrialWW_MBBR_part2.zip containing 
o	a  tabular  file saved in .ods format 
M4W_WP2_T2-3-2_DegradationFungicides_part2.ods 
(this file is under embargo until the 3rd of April 2021, to allow the author to publish the data) 
•	a README file in .rtf format 
M4W_WP2_T2-3-2_AgroIndustrialWW_MBBR_README.rtf
Data set Documentation
Abstract
Degradation of fungicides in agro-industrial wastewater was investigated. The wastewater was collected in a fruit and vegetable packaging house in Morocco. The wastewater was contaminated by four different fungicides – namely ortho-phenylphenol, pyrimethanil, thiabendazole and imazalil. Moving bed biological reactor (MBBR) was constructed and tested for wastewater treatment. The reactor was operated in a batch and semi-continuous mode. Biological transformation of fungicides was further investigated. Data set summarizes the results about degradation of individual fungicides in MBBR and spectra of imazalil metabolites which have been detected in the wastewater during the treatment.  
  
Content of the files 
Compressed folder M4W_WP2_T2-3-2_AgroIndustrialWW_MBBR_part1.zip:
•	file M4W_WP2_T2-3-2_DegradationFungicides_part1.ods contains data related to the degradation of fungicides in non-diluted Drencher wastewater:
o	sheet Calibration contains calibration curves of the four investigated fungicides and their concentrations during MBBR treatment of Drencher water,
o	sheet TBZ contains degradation graph of thiabendazole during MBBR treatment of Drencher water,
o	sheet IMZ contains degradation graph of imazalil during MBBR treatment of Drencher water,
o	sheet PYR contains degradation graph of pyrimethanil during MBBR treatment of Drencher water,
o	sheet DRENCHER contains overview of concentrations of soluble, insoluble and ring-sorbed fungicides during MBBR treatment of Drencher water;
•	file M4W_WP2_T2-3-2_MSSpectra.pdf contains graphical representation of MS, MS2 and MS3 spectra of imazalil and its transformation products M1-M16;
•	subfolder MSSpectra contains numeric tabular data in *.txt constituting the MS, MS2 and MS3 spectra of imazalil and its transformation products M1-M16,
o	file IMZ-MS.txt contains MS spectrum of imazalil,
o	file IMZ-MS2.txt contains MS2 spectrum of imazalil, 
o	file IMZ-MS3a.txt contains MS3 spectrum of imazalil,
o	file IMZ-MS3b.txt contains second MS3 spectrum of imazalil,
o	file M1-MS.txt contains MS spectrum of imazalil metabolite M1,
o	file M1-MS2.txt contains MS2 spectrum of imazalil metabolite M1,
o	file M2-MS.txt contains MS spectrum of imazalil metabolite M2,
o	file M2-MS2.txt contains MS2 spectrum of imazalil metabolite M2,
o	file M3-MS.txt contains MS spectrum of imazalil metabolite M3,
o	file M3-MS2.txt contains MS2 spectrum of imazalil metabolite M3,
o	file M4-MS.txt contains MS spectrum of imazalil metabolite M4,
o	file M4-MS2.txt contains MS2 spectrum of imazalil metabolite M4,
o	file M5-MS.txt contains MS spectrum of imazalil metabolite M5,
o	file M5-MS2.txt contains MS2 spectrum of imazalil metabolite M5,
o	file M5-MS3.txt contains MS3 spectrum of imazalil metabolite M5,
o	file M6-MS.txt contains MS spectrum of imazalil metabolite M6,
o	file M6-MS2.txt contains MS2 spectrum of imazalil metabolite M6,
o	file M7-MS.txt contains MS spectrum of imazalil metabolite M7,
o	file M7-MS2.txt contains MS2 spectrum of imazalil metabolite M7,
o	file M7-MS3.txt contains MS3 spectrum of imazalil metabolite M7,
o	file M8-MS.txt contains MS spectrum of imazalil metabolite M8,
o	file M8-MS2.txt contains MS2 spectrum of imazalil metabolite M8,
o	file M8-MS3.txt contains MS3 spectrum of imazalil metabolite M8,
o	file M9-MS.txt contains MS spectrum of imazalil metabolite M9,
o	file M9-MS2.txt contains MS2 spectrum of imazalil metabolite M9,
o	file M9-MS3.txt contains MS3 spectrum of imazalil metabolite M9,
o	file M10-MS.txt contains MS spectrum of imazalil metabolite M10,
o	file M10-MS2.txt contains MS2 spectrum of imazalil metabolite M10,
o	file M10-MS3.txt contains MS3 spectrum of imazalil metabolite M10,
o	file M11-MS.txt contains MS spectrum of imazalil metabolite M11,
o	file M11-MS2.txt contains MS2 spectrum of imazalil metabolite M11,
o	file M11-MS3.txt contains MS3 spectrum of imazalil metabolite M11,
o	file M12-MS.txt contains MS spectrum of imazalil metabolite M12,
o	file M12-MS2.txt contains MS2 spectrum of imazalil metabolite M12,
o	file M13-MS.txt contains MS spectrum of imazalil metabolite M13,
o	file M13-MS2.txt contains MS2 spectrum of imazalil metabolite M13,
o	file M13-MS3a.txt contains MS3 spectrum of imazalil metabolite M13,
o	file M13-MS3b.txt contains second MS3 spectrum of imazalil metabolite M13,
o	file M14-MS.txt contains MS spectrum of imazalil metabolite M14,
o	file M14-MS2.txt contains MS2 spectrum of imazalil metabolite M14,
o	file M15-MS.txt contains MS spectrum of imazalil metabolite M15,
o	file M15-MS2.txt contains MS2 spectrum of imazalil metabolite M15,
o	file M16-MS.txt contains MS spectrum of imazalil metabolite M16,
o	file M16-MS2.txt contains MS2 spectrum of imazalil metabolite M16.
Compressed folder M4W_WP2_T2-3-2_AgroIndustrialWW_MBBR_part2.zip:
•	file M4W_WP2_T2-3-2_DegradationFungicides_part2.ods contains data related to the degradation of fungicides in non-diluted, 10x diluted and 2x diluted Drencher wastewater:
o	sheet Calibration contains calibration curves of the four investigated fungicides and their concentrations during MBBR treatment of non-diluted, 10x diluted and 2x diluted Drencher wastewater,
o	sheet MIXED contains overview of the concentrations of soluble, insoluble and ring-sorbed fungicides during MBBR treatment of 10x diluted Drencher water,
o	sheet Degradation_batch contains degradation graphs of thiabendazole during MBBR treatment of non-diluted and 10x diluted Drencher water in a batch mode,
o	sheet TBZ contains degradation graphs of thiabendazole during MBBR treatment of non-diluted, 10x diluted and 2x diluted Drencher water,
o	sheet IMZ contains degradation graph of imazalil during MBBR treatment of non-diluted Drencher water,
o	sheet PYR contains degradation graphs of pyrimethanil during MBBR treatment of non-diluted and 2x diluted Drencher water,
o	sheet DRENCHER contains overview of the concentrations of soluble, insoluble and ring-sorbed fungicides during MBBR treatment of non-diluted and 2x diluted Drencher water.
List of variables 
List of acronyms that are present in the files:
Acronym	Description	
OPP	ortho-phenylphenol	
TBZ	thiabendazole	
PYR	pyrimethanil	
IMZ	imazalil	
MBBR	moving bed biological reactor	
HRT	hydraulic retention time	
COD	chemical oxygen demand	
NTU	nephelometric turbidity units	
SOL	concentration of dissolved fungicide	
IN	concentration of suspended fungicide	
RI or RINGS	concentration of fungicide sorbed on plastic carriers	
AK	abiotic control	
DR	non-diluted Drencher water	
MIX or MIXED	10x diluted Drencher water	
SD	standard deviation	
RSD	relative standard deviation	
m/z	mass to charge ratio	
I	intensity in counts	
I %	relative intensity in %	

List of UPAC names of detected metabolites:
Metabolite 	UPAC name	
IMZ	1-[2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]-1H-imidazole	
M1	1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol	
M2	1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone	
M3	1-[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethoxy]propan-2-ol	
M4	1-[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethoxy]propan-2-one	
M5	1-[1-(2,4-dichlorophenyl)-2-(ethylamino)ethoxy]propan-2-ol	
M6	1-[2-amino-1-(2,4-dichlorophenyl)ethoxy]propan-2-ol	
M7	2-(2,4-dichlorophenyl)-N-ethyl-2-(prop-2-en-1-yloxy)ethanamine	
M8	N-[2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]imidoformamide	
M9	2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethanamine	
M10, M11	2,6-dichloro-3-[2-(1H-imidazol-1-yl)-1-(prop-2-en-1-yloxy)ethyl]phenol	
	2,4-dichloro-5-[2-(1H-imidazol-1-yl)-1-(prop-2-en-1-yloxy)ethyl]phenol	
	3,5-dichloro-2-[2-(1H-imidazol-1-yl)-1-(prop-2-en-1-yloxy)ethyl]phenol	
M12	2,6-dichloro-3-[2-(1H-imidazol-1-yl)-1-(2-methoxypropoxy)ethyl]phenol	
	2,4-dichloro-5-[2-(1H-imidazol-1-yl)-1-(2-methoxypropoxy)ethyl]phenol	
	3,5-dichloro-2-[2-(1H-imidazol-1-yl)-1-(2-methoxypropoxy)ethyl]phenol	
M13	1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-1-(4-iminobutoxy)ethanol	
	1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-1-(3-imino-2-methylpropoxy)ethanol	
	N-[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-1-(prop-2-en-1-yloxy)ethoxy]methanamine