README file

Data Set Title: “OLEUM Project. Peer inter-laboratory validation study of a SPME-GC-FID method for the analysis of selected volatile compounds in virgin olive oils”.

Data Set Authors: Enrico Casadei (University of Bologna); Enrico Valli (University of Bologna); Ramón Aparicio-Ruiz (Instituto de la Grasa - CSIC); Clemente Ortiz-Romero (Instituto de la Grasa – CSIC); Diego L. García González (Instituto de la Grasa - CSIC); Stefania Vichi (University of Barcelona); Beatriz Quintanilla-Casas (University of Barcelona); Alba Tres (University of Barcelona); Alessandra Bendini (University of Bologna); Tullia Gallina Toschi (University of Bologna).

Data Set Contact Person: Alessandra Bendini, http://orcid.org/0000-0002-6515-5519, alessandra.bendini@unibo.it.

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: OLEUM (Advanced solutions for assuring the overall authenticity and quality of olive oil), funded by European Union, Horizon 2020 Programme. Grant Agreement num. 635690; http://www.oleumproject.eu/.  

Data set contents

The data set consists of:
•	a numerical quantitative file saved both in .xlsx and .ods formats 
“OLEUM_AnalysisOfVolatileCompoundsInVOObyGC.xlsx”
“OLEUM_AnalysisOfVolatileCompoundsInVOObyGC.ods”
•	a README file: 
“OLEUM_AnalysisOfVolatileCompoundsInVOObyGC_README.rtf”

Data set Documentation

Abstract
This data set contains the underlying data of the scientific publication:
Casadei, E., Valli, E., Aparicio-Ruiz, R., Ortiz-Romero, C., García-González, D.L., Vichi, S., Quintanilla-Casas, B., Tres, A., Bendini, A., Toschi, T.G., 2021. Peer inter-laboratory validation study of a harmonized SPME-GC-FID method for the analysis of selected volatile compounds in virgin olive oils. Food Control 123, 107823. https://doi.org/10.1016/j.foodcont.2020.107823. 
The qualitative and quantitative analysis of the profile in volatile compounds present in the headspace of VOOs assumes a great importance to support the Panel test in the classification of virgin olive oils and, in the future, to establish limits for the different product quality grades. This data set contains the OLEUM validation results of a SPME-GC-FID method for the analysis of selected volatile compounds with the purpose to have quali and quantitative information on the most relevant volatile compounds of virgin olive oils.

Content of the file OLEUM_AnalysisOfVolatileCompoundsInVOObyGC.xlsx/.ods: 
•	sheet Concentrations contains concentrations (minimum, mean and maximum values) of the set of 60 VOO samples and of the selected 15 samples for the validation study analyzed by Laboratory 2.
•	sheet Linearity and Repeatability contains mean values of R2 for the calibration curves (linearity) built by the three involved labs for each one of the selected volatile compounds and repeatability values expressed as mean of the relative standard deviation (RSD%) obtained by the three labs for the selected compounds with respect to the three quantification methods (QMs).
•	sheet Reproducibility contains reproducibility values for the SPME-GC-FID method expressed as the mean of the RSD% (quantification method 1, QM1), calculated for each of the 15 analyzed samples (S1-S15). The concentration ranges (minimum and maximum values) and the mean RSD% values are also shown.
•	sheet Recovery presents mean values of recovery (Rap) and ranges (between parenthesis) calculated from the results of the three involved labs and using the three types of quantification methods (QMs). n values of recovery (Rap) calculated from the Rap provided by the labs and using the three kinds of quantifications methods (QMs).
•	sheet Limit of Detection (LOD) contains data used to calculate the limit of detection of the analytical approach by different methods.
•	sheet Limits of Quantification (LOQ) contains data used to calculate the limit of quantification of the analytical approach by different methods.

List of variables 
Acronyms:
•	Solid Phase Microextraction - Gas Chromatography - Flame Ionization Detector (SPME-GC-FID);
•	VOO (Virgin Olive Oil);
•	R2 (Regression coefficient);
•	RSD (Relative Standard Deviation);
•	QM (Quantitative Method);
•	Rap (Apparent Recovery);
•	IS (Internal Standard);
•	LOD (Limit of Detection);
•	LOQ (Limit of Quantification).