WP3

Harmonised Raman Spectra

Objective

Combine reference master samples, calibration methods, and chemometrics and experimental protocols to make Raman spectra from different instruments harmonised and consistent to make them interoperable and quantifiable. Our aim is creating several harmonisation protocols that ensure that any data generated in any device can be easily transferred and validated in any other device in a reproducible way.

Methodology

We will define and measure Raman spectrum acquisition parameters for the Raman systems of the consortium (different setups and manufacturers), in order to propose harmonisation protocols of raw data obtained from different devices. In this way, we will transfer the necessary information to WP4 for structuring the metadata framework and for developing and validating methods to harmonise spectrum data. Additionally, we will develop new standard reference materials for Raman calibration and a calibration protocol to accommodate the interoperability of the Raman instruments. We will follow a well-defined and systematic path. This path involves a thorough literature review segmented by topics focused to evaluate the parameters that affect Raman spectra. Based on the information gathered upon the completion of this review, we will focus on defining the correlation between raw data and pre-processed spectra, and this will be used to propose a number of well-defined protocols and standards needed for all units to be comparable. Moreover, we will develop the test materials needed to corroborate our proposal and run the necessary tests to evaluate the protocols for Raman device harmonisation. At the end of the process we will be able to manufacture devices for the industrial demonstrators based on our harmonisation parameters and run round Robin tests will be performed for the materials and protocols across the consortium.

Work Package Leader

Enrique Lozano, ELODIZ