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Data base containing SPME-GC-MS raw analytical data obtained and used by Quintanilla-Casas et al. (Foods, 9: 1509). Data correspond to the volatile fingerprint of 305 authentic and traceable virgin olive oil samples produced in several EU and non-EU countries during two consecutive crop years (2016–2017 and 2017–2018), and to the information the olive oil category assigned by six official sensory panels in the framework of OLEUM project (EC H2020 Programme 2014–2020). TIC were extracted, aligned, and used to in-house validate the analytical fingerprint and to validate the screening tool to support virgin olive oil sensory panels. This screening tool was based on a PLS-DA classification approach to discriminate the virgin olive oil categories (extra virgin, virgin and lampante olive oil).

Data base containing data on the triacylclgyerol profile of genuine and adulterated olive oils obtained by Flow Injection Analysis-Heated Electrospray Ionisation-High Resolution Mass Spectrometry (FIA-HESI-HRMS). Data (total ion chromatograms) were obtained and used by Quintanilla-Casas et al. (Food Control, 2021, 123: 107851). Data correspond to relative abundances obtained for each mass signal that agreed with single positive charged sodium molecular ions and that could match with a triacylglycerol elemental formula (mass tolerance error set at 5ppm; molecular formulae calculation performed with Xcalibur 4.1. (Thermo Fisher Scientific, Bremen, Germany). This data base includes samples used in the study that were obtained by the OLEUM consortium. Samples included genuine olive oils, as well as Taylor-made adulterations blending genuine olive oils with other vegetable oils as adulterants (sunflower oli; soy oil; high oleic sunflower oil; avocado oil (refined and virgin); hazelnut oil (refined and virgin)). Blind samples are also included in the data base. Partial Least Squares-Discriminant Analysis (PLS-DA) was applied to these data to develop two independent binary models that discriminated between (i) genuine oils and blends with ≥2% of HL adulterants, and (ii) genuine oils and blends with ≥5% of HO adulterants, as described in Quintanilla-Casas et al., 2021.

Data base containing SPME-GC-MS raw analytical data (total ion chromatograms, not aligned) obtained and used by Quintanilla-Casas et al. (Foods, 9: 1509). Data correspond to the volatile fingerprint of 305 authentic and traceable virgin olive oil samples produced in several EU and non-EU countries during two consecutive crop years (2016–2017 and 2017–2018), and to the information on the sensory attributes, defects and the olive oil category assigned by six official sensory panels in the framework of OLEUM project (EC H2020 Programme 2014–2020). Briefly, data correspond to SPME-GC-MS scan intensities of the total ion chromatogram at each retention time from 5.5 to 61.96 min. These data were aligned and used to in-house validate the analytical fingerprint and to validate the screening tool to support virgin olive oil sensory panels. This screening tool was a PLS-DA classification apporach to discriminate the virgin olive oil categories (extra virgin, virgin and lampante olive oil).

This data set contains the underlying data of the scientific publication: Casadei, Enrico; Valli, Enrico; Aparicio-Ruiz, Ramón; Ortiz-Romero, Clemente; García-González, Diego L.; Vichi, Stefania; Quintanilla-Casas, Beatriz; Tres, Alba; Bendini, Alessandra; Gallina Toschi, Tullia; 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. In the context of supporting the panel test in the classification of virgin olive oils, the qualitative and quantitative analysis of a number of volatile compounds responsible for their aroma is of great importance. Herein, the data obtained from three laboratories that analyzed the same samples are presented with the view to develop an inter-laboratory validation study of a harmonized solid-phase micro-extraction coupled with gas-chromatography with flame ionized detector (SPME-GC-FID) method for determination of selected volatile compounds. The dataset presents the results of the validation study. Three quantification strategies were considered. Repeatability showed a mean relative standard deviation (RSD%) lower than 14% except for ethyl propanoate, 3-methyl-1-butanol, 1-octen-3-ol, and (E)-2-decenal. Linearity was satisfactory (R2 > 0.90) for all compounds when the calibration curves were corrected by the internal standard. The results are showed for 18 volatile compounds that were selected for being for volatile markers of the main sensory defects of virgin olive oil., EC - H2020., Peer reviewed

Filenames: BEC_SSS___SMOS__BAL_L3__B_YYYYMMDDT120000_0.25d_9d_REP_v1.0.nc YYYYMMDD: central date of 9-day map Documents: Baltic+Salinity_D1.1_RDB_v1r7 Baltic+Salinity_D1.2_DUM_v2r0 Baltic+Salinity_D1.3_ATBD_v2r0, BEC ftp service: We serve netCDF data by means of a secure ftp server. NetCDF files from which the maps were made (and other additional data) can be downloaded from sftp address becftp.icm.csic.es at port 27500. If your browser is sftp compatible you can browse directly from sftp://becftp.icm.csic.es:27500 address. In order to download data you should be registered in our BEC ftp service. Registration is free, you can register just by filling the following form: http://bec.icm.csic.es/bec-ftp-service-registration/ If you need a dedicated ftp client (for instance FileZilla https://filezilla-project.org/) you should use the following configuration: Host: sftp://becftp.icm.csic.es username: your username password: your password Port: 27500, To develop a novel Baltic L3 SSS (Sea Surface Salinity) product from the measurements provided by the SMOS (Soil Moisture and Ocean Salinity) mission and to study the potential benefit of incorporating this SSS product into oceanographic and environmental applications within the Baltic Sea. Data acquisition: Satellite ESA SMOS mission (Soil Moisture and Ocean Salinity). Time coverage 05 February 2011 - 27 December 2019. Time resolution: 9 days. Maps frequency generation: Daily. Spatial coverage: Latitude range: 53.5ºN-68ºN Longitude range: 8ºE-30.5ºE. Spatial resolution: 0.25 degrees. Spatial grid: WGS 84 / Regular longitude-latitude. Sensor Satellite SMOS / MIRAS. Format NetCDF. Climate and Forecast (CF) conventions version: 1.6., Baltic+ Salinity Dynamics European Space Agency under contract 4000126102/18/I-BG, Peer reviewed

Filenames: BEC_SSS___SMOS__BAL_L4__B_YYYYMMDDT120000_0.25d_9d_REP_v1.0.nc YYYYMMDD: Day of the map Documents: Baltic+Salinity_D1.1_RDB_v1r7 Baltic+Salinity_D1.2_DUM_v2r0 Baltic+Salinity_D1.3_ATBD_v2r0, BEC ftp service: We serve netCDF data by means of a secure ftp server. NetCDF files from which the maps were made (and other additional data) can be downloaded from sftp address becftp.icm.csic.es at port 27500. If your browser is sftp compatible you can browse directly from sftp://becftp.icm.csic.es:27500 address. In order to download data you should be registered in our BEC ftp service. Registration is free, you can register just by filling the following form: http://bec.icm.csic.es/bec-ftp-service-registration/ If you need a dedicated ftp client (for instance FileZilla https://filezilla-project.org/) you should use the following configuration: Host: sftp://becftp.icm.csic.es username: your username password: your password Port: 27500, To develop a novel Baltic L4 SSS (Sea Surface Salinity) product from the measurements provided by the SMOS (Soil Moisture and Ocean Salinity) mission merged with SST (Sea Surface Temperature) and to study the potential benefit of incorporating this SSS product into oceanographic and environmental applications within the Baltic Sea. Data acquisition: Satellite ESA SMOS mission (Soil Moisture and Ocean Salinity), ESA CCI SST. Time coverage: 05 February 2011 - 27 December 2019. Time resolution: Daily. Maps frequency generation: Daily. Spatial coverage: Latitude range: 53.5ºN-68ºN Longitude range: 8ºE-30.5ºE. Spatial resolution: 0.05 degrees. Spatial grid: WGS 84 / Regular longitude-latitude. Sensor Satellite SMOS / MIRAS. Format NetCDF. Climate and Forecast (CF) conventions version: 1.6., Baltic+ Salinity Dynamics European Space Agency under contract 4000126102/18/I-BG, Peer reviewed

The data set consists of: - a numerical quantitative file saved both in .xlsx and .ods formats: “OLEUM_Dataset_SPME-GC-MS_xlsx.xlsx”, “OLEUM_Dataset_SPME-GC-MS_ods.ods”. - a README file: “OLEUM_Dataset SPME-GC-MS_README_rtf.rtf”.-- Content of the file OLEUM_Dataset_SPME-GC-MS_xlsx/ods: SPME-GC-MS: This sheet presents the repeatability and reproducibility values, expressed as relative standard deviation (RSD%), for three quantification methods (QM1, QM2 and QM3). The three quantification methods are described in Casadei et al., 2021 (Food Control, Vol. 123, 2021, 107823, p. 107823. doi: 10.1016/j.foodcont.2020.107823). Additionally, the concentrations (min and max) determined by the 5 labs for each of 15 samples are shown., This data corresponds to an inter-laboratory study (5 labs) applying a harmonized SPME-GC-MS method to analyze volatile compounds on 15 samples. The data shows the min-max concentration and the repeatability and reproducibility results. This work is relevant to know the performance of this method to be applied as a supporting tool for sensory assessment of virgin olive oil. The data are presented for 18 volatile compound that were selected for their contribution to positive attributes (fruitiness) and sensory defect. This work was developed in the context of the project OLEUM “Advanced solutions for assuring authenticity and quality of olive oil at global scale”, funded by the European Commission within the Horizon 2020 Programme (2014–2020, GA no. 635690)., 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/., Peer reviewed

Filenames: BEC_SSS___SMOS__BLA_L2__A_YYYYMMDDT120000_0.25d_1d_REP_v1.0.nc YYYYMMDD: central date Documents of reference: Olmedo et al, 2021, "New SMOS SSS maps in the framework of the Earth Observationdata For Science and Innovation in the Black Sea", Earth Science System Data journal. BEC ftp service: We serve netCDF data by means of a secure ftp server. NetCDF files from which the maps were made (and other additional data) can be downloaded from sftp address becftp.icm.csic.es at port 27500. If your browser is sftp compatible you can browse directly from sftp://becftp.icm.csic.es:27500 address. In order to download data you should be registered in our BEC ftp service. Registration is free, you can register just by filling the following form: http://bec.icm.csic.es/bec-ftp-service-registration/ If you need a dedicated ftp client (for instance FileZilla https://filezilla-project.org/) you should use the following configuration: Host: sftp://becftp.icm.csic.es username: your username password: your password Port: 27500, Dedicated regional Sea Surface Salinity (SSS) product in the Black Sea. Level 2 ascending satellite overpasses. Data acquisition: Satellite ESA SMOS mission (Soil Moisture and Ocean Salinity). Time coverage 01 February 2011 - 31 December 2020. Time resolution: daily. Maps frequency generation: Daily. Spatial coverage: Latitude range: 39ºN-48ºN Longitude range: 26ºE-42ºE. Spatial resolution: 0.25 degrees. Spatial grid: WGS 84 / Regular longitude-latitude. Sensor Satellite SMOS / MIRAS. Format NetCDF. Climate and Forecast (CF) conventions version: 1.6., Peer reviewed

Filenames: BEC_SSS___SMOS__BLA_L2__D_YYYYMMDDT120000_0.25d_1d_REP_v1.0.nc YYYYMMDD: central date Documents of reference: Olmedo et al, 2021, "New SMOS SSS maps in the framework of the Earth Observationdata For Science and Innovation in the Black Sea", Earth Science System Data journal. BEC ftp service: We serve netCDF data by means of a secure ftp server. NetCDF files from which the maps were made (and other additional data) can be downloaded from sftp address becftp.icm.csic.es at port 27500. If your browser is sftp compatible you can browse directly from sftp://becftp.icm.csic.es:27500 address. In order to download data you should be registered in our BEC ftp service. Registration is free, you can register just by filling the following form: http://bec.icm.csic.es/bec-ftp-service-registration/ If you need a dedicated ftp client (for instance FileZilla https://filezilla-project.org/) you should use the following configuration: Host: sftp://becftp.icm.csic.es username: your username password: your password Port: 27500, Dedicated regional Sea Surface Salinity (SSS) product in the Black Sea. Level 2 descending satellite overpasses. Data acquisition: Satellite ESA SMOS mission (Soil Moisture and Ocean Salinity). Time coverage 01 February 2011 - 31 December 2020. Time resolution: daily. Maps frequency generation: Daily. Spatial coverage: Latitude range: 39ºN-48ºN Longitude range: 26ºE-42ºE. Spatial resolution: 0.25 degrees. Spatial grid: WGS 84 / Regular longitude-latitude. Sensor Satellite SMOS / MIRAS. Format NetCDF. Climate and Forecast (CF) conventions version: 1.6., Peer reviewed

Filenames: BEC_SSS___SMOS__BLA_L3__B_YYYYMMDDT120000_0.25d_9d_REP_v1.0.nc YYYYMMDD: central date Documents of reference: Olmedo et al, 2021, "New SMOS SSS maps in the framework of the Earth Observationdata For Science and Innovation in the Black Sea", Earth Science System Data journal. BEC ftp service: We serve netCDF data by means of a secure ftp server. NetCDF files from which the maps were made (and other additional data) can be downloaded from sftp address becftp.icm.csic.es at port 27500. If your browser is sftp compatible you can browse directly from sftp://becftp.icm.csic.es:27500 address. In order to download data you should be registered in our BEC ftp service. Registration is free, you can register just by filling the following form: http://bec.icm.csic.es/bec-ftp-service-registration/ If you need a dedicated ftp client (for instance FileZilla https://filezilla-project.org/) you should use the following configuration: Host: sftp://becftp.icm.csic.es username: your username password: your password Port: 27500, Dedicated regional Sea Surface Salinity (SSS) product in the Black Sea. Level 3 9-day maps. Data acquisition: Satellite ESA SMOS mission (Soil Moisture and Ocean Salinity). Time coverage 01 February 2011 - 31 December 2020. Time resolution: 9-day. Maps frequency generation: Daily. Spatial coverage: Latitude range: 39ºN-48ºN Longitude range: 26ºE-42ºE. Spatial resolution: 0.25 degrees. Spatial grid: WGS 84 / Regular longitude-latitude. Sensor Satellite SMOS / MIRAS. Format NetCDF. Climate and Forecast (CF) conventions version: 1.6., Peer reviewed