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Artículo científico (JournalArticle). 2023
Review of Existing Standards, Guides, and Practices for Raman Spectroscopy
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Ntziouni, Afroditi
- Thomson, James
- Xiarchos, Ioannis
- Li, Xiang
- Bañares, Miguel A.
- Charitidis, Costas
- Portela, Raquel
- Lozano-Diz, E.
[EN] Over the past decades Raman spectroscopy has been extensively used both on an industrial and academic level. This has resulted in the development of numerous specialized Raman techniques and Raman active products, which in turn has led to the adoption and development of standards and norms pertaining to Raman unit’s calibration, performance validation, and interoperability. Purpose of the present review is to list, classify, and engage in a comprehensive analysis of the different standards, guides, and practices relating to Raman spectroscopy. Primary aim of the review is to consider the commonalities and conflicts between these standards and norms and to identify any missing aspects. Standardization in the field of Raman spectroscopy is dominated by the work of American institutions, namely, the American Society of Testing Materials (ASTM or ASTM International), with several active standards in place pertaining to terminology, calibration, multivariate analysis, and specific applications, and the National Institute of Standards and Technology (NIST), providing numerous certified reference materials, referred to as standard reference materials. The industrial application of Raman spectroscopy is dominated by the pharmaceutical industry. As such, pharmacopoeias provide not only important information in relation to pharmaceutical-related applications of Raman spectroscopy, but also invaluable insight, into the basic principles of Raman spectroscopy and important aspects that include calibration, validation, measurement, and chemometric analysis processes, usually by referring to ASTM and NIST standards. Given the fact that Raman spectroscopy is a modern and innovative field, the standardization processes are complex and constantly evolving. Despite the seemingly high number of existing standards, the standardization landscape is incomplete and has not been modernized according to the developments in Raman spectroscopy techniques in recent years. This is evident by the lack of protocols for numerous areas as well as by the fact that some of the existing standards have not been updated to reflect the advances in the technique. Therefore, it is important for the Raman community to actively engage in and contribute to a modernization process that will result in updating existing and introducing new terms, protocols, and guides. Indeed, the development of optimized common standards would be extremely beneficial and would further foster the development and application of Raman spectroscopy techniques, most notably those of surface enhanced Raman spectroscopy and low-resolution portable analyzers. (Figure presented.)., The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This work
was supported by the EU H2020 Project, “Characterisation and Harmonisation for Industrial Standardisation of Advanced Materials” (CHARISMA), under Grant Agreement no. 952921., Peer reviewed
was supported by the EU H2020 Project, “Characterisation and Harmonisation for Industrial Standardisation of Advanced Materials” (CHARISMA), under Grant Agreement no. 952921., Peer reviewed
Proyecto: EC/H2020/952921
Set de datos (Dataset). 2025
List of standards related to Raman spectroscopy
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Portela, Raquel
- Ntziouni, Afroditi
- Moya, Iván
- Coca-López, Nicolás
- Lozano-Diz, E.
Comprehensive list of existing and under development standards related to Raman spectroscopy, including documents and certified reference materials, clasifid by topic.
This is a copy of a living document; an updated version will be regularly uploaded. If you are aware of a certified reference material or standard document that is not included in the table or want to suggest a correction, please send us the information. Thank you!, European Commission
CHARISMA - Characterization and HARmonization for Industrial Standardisation of advanced MAterials: 952921, Peer reviewed
This is a copy of a living document; an updated version will be regularly uploaded. If you are aware of a certified reference material or standard document that is not included in the table or want to suggest a correction, please send us the information. Thank you!, European Commission
CHARISMA - Characterization and HARmonization for Industrial Standardisation of advanced MAterials: 952921, Peer reviewed
Proyecto: EC/H2020/952921
Artículo científico (JournalArticle). 2025
Artificial Intelligence-Powered Raman Spectroscopy through Open Science and FAIR Principles
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Coca-Lopez, Nicolás
- Alcolea-Rodriguez, V.
- Bañares, M.A.
- Brockhauser, S.
- Gorenflot, J.
- Henderson, A.
- Hildebrandt, R.
- Jeliazkova, N.
- Kochev, N.
- Lozano Diz, E.
- Pilat, Z.
- Polli, D.
- Strömert, P.
- Sturm, C.
- Vanna, R.
- Portela, Raquel
Raman spectroscopy is a fast-growing and increasingly powerful analytical technique applied across diverse disciplines such as materials science, chemistry, biology and medicine. This growth is driven by advances in Raman instrumentation and greatly supported by the flourishing of chemometrics and artificial intelligence (AI). However, the full potential of this technique is often hampered by challenges related to data acquisition, processing, interpretation, and sharing. This review paper addresses how a concerted effort toward digitalization, incorporating principles of Open Science and FAIR data (Findable, Accessible, Interoperable, and Reusable), is essential to develop and implement robust, standardized, and accessible digital workflows. These workflows are key to unlock the full power of Raman spectroscopy in combination with AI. We explore the current landscape of digital tools and open resources in Raman spectroscopy, highlighting both existing solutions as well as critical gaps. Despite these advances, the field remains fragmented, with many initiatives developed in isolation, limiting interoperability and slowing progress. In this regard, we assess the trends in Raman spectroscopy hardware and control software as well as the role of AI in improving data collection, automating data analysis, extracting meaningful insights, and enabling predictive modeling. We review challenges such as data quality and model interpretability that constrain the effectiveness and applicability of AI in Raman spectroscopy. Furthermore, we emphasize the importance of standardized data formats, metadata schemas, and domain-specific ontologies to ensure machine-actionability, database federation and interoperability as well as to facilitate collaborative research. We provide curated lists of existing open hardware, databases and standards relevant to Raman spectroscopy. Finally, we propose a roadmap toward an open and FAIR ecosystem for Raman spectroscopy, emphasizing the need for sustainable infrastructure, collaborative development, and community involvement. © 2025 The Authors. Published by American Chemical Society, NCL, RP, MAB, NJ, NK acknowledge support by the EU H2020 Project CHARISMA (GA952921). NCL, RP, MAB acknowledge support by the EU H2020 Project PlasticsFatE (GA965367). NJ, NK acknowledge support by the EU H2020 Project POLYRISK (GA964766). SB, RH was funded by the Deutsche Forschungsgemeinschaft (project 460197019). PS was funded by the National Research Data–Infrastructure NFDI4Chem from the Deutsche Forschungsgemeinschaft (project 441958208). RV and VAR acknowledge support by the European Innovation Council (EIC) under grant agreement No. 101047137 (TROPHY). RV acknowledges support by the EIC under grant agreement No. 101058004 (CHARM). RV and DP acknowledge support by the EIC under grant agreement No. 101187508 (SpectraBREAST). JG acknowledges support by the King Abdullah University of Science and Technology. All authors acknowledge Salvatore Sorrentino for providing Figure 7., Peer reviewed
Proyecto: EC, EC/H2020, H2020/GA965367, GA952921
Set de datos (Dataset). 2025
List of Raman spectroscopy databases
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Hildebrandt, R.
- Jeliazkova, N.
- Kochev, N.
- Coca-López, Nicolás
- Portela, Raquel
Comprehensive and curated list of openly accessible online Raman databases with information about their content and origin. Their FAIRness level has also been evaluated., A tab with some relevant propietary Raman databases is also included as complementary information on the availability of Raman data, European Commission
CHARISMA - Characterization and HARmonization for Industrial Standardisation of advanced MAterials 952921, Peer reviewed
CHARISMA - Characterization and HARmonization for Industrial Standardisation of advanced MAterials 952921, Peer reviewed
Proyecto: EC/H2020/952921