Complex evaluation of Raman spectra using morphological filtering: Algorithms, software implementation, and experimental verification of baseline correction, peak recognition, and cosmic ray removal in SERS spectra of designer drugs

PAVELKA, Vít, Dušan HEMZAL and Jan HRBÁČ. Complex evaluation of Raman spectra using morphological filtering: Algorithms, software implementation, and experimental verification of baseline correction, peak recognition, and cosmic ray removal in SERS spectra of designer drugs. Journal of Raman Spectroscopy. HOBOKEN: WILEY, 2022, vol. 53, No 12, p. 2100-2109. ISSN 0377-0486. Available from: https://dx.doi.org/10.1002/jrs.6448.

Basic information

• Original name: Complex evaluation of Raman spectra using morphological filtering: Algorithms, software implementation, and experimental verification of baseline correction, peak recognition, and cosmic ray removal in SERS spectra of designer drugs
• Authors: PAVELKA, Vít (203 Czech Republic, belonging to the institution), Dušan HEMZAL (203 Czech Republic, belonging to the institution) and Jan HRBÁČ (203 Czech Republic, guarantor, belonging to the institution).
• Edition: Journal of Raman Spectroscopy, HOBOKEN, WILEY, 2022, 0377-0486.

Other information

• Original language: English
• Type of outcome: Article in a journal
• Field of Study: 10403 Physical chemistry
• Country of publisher: United States of America
• Confidentiality degree: is not subject to a state or trade secret
• WWW: URL
• Impact factor: Impact factor: 2.500
• RIV identification code: RIV/00216224:14310/22:00126746
• Organization unit: Faculty of Science
• Doi: http://dx.doi.org/10.1002/jrs.6448
• UT WoS: 000855125300001
• Keywords in English: designer drugs; morphological operators; Raman spectra processing; SERS
• Tags: rivok
• Tags: International impact, Reviewed

Abstract

We discuss a full-scale treatment of real-life Raman spectra with pronounced artifacts via mathematical morphology: Baseline correction, peak recognition, and cosmic ray removal are provided using a single kernel. The suggested treatment is peak-oriented, and its novelty lies in utilization of contact points between a spectrum and its morphological mapping to provide robust peak recognition via low-order morphological operators. Reaching a compromise between complicated iterative processing and requiring tedious input from the user, the provided algorithms permit effective unsupervised evaluation of individual spectra as well as Raman maps and time or depth series. The method is demonstrated on SERS identification of selected designer drugs.

Links

• LD15058, research and development project: Name: Příprava substrátů pro povrchově zesílenou Ramanovu spektroskopii pomocí elektrochemických, elektroforetických a jiskrový výboj využívajících technik. (Acronym: ELE-SERS)

Investor: Ministry of Education, Youth and Sports of the CR

• MUNI/A/1539/2021, interní kód MU: Name: Vývoj metod a instrumentace pro analýzu biologicky významných látek 2022

Investor: Masaryk University