Expand this Topic clickable element to expand a topic
Skip to content
Optica Publishing Group
  • Applied Spectroscopy
  • Vol. 69,
  • Issue 1,
  • pp. 26-36
  • (2015)

Fully Automated Decomposition of Raman Spectra into Individual Pearson's Type VII Distributions Applied to Biological and Biomedical Samples

Not Accessible

Your library or personal account may give you access

Abstract

Rapid technological advances have made the acquisition of large numbers of spectra not only feasible, but also routine. As a result, a significant research effort is focused on semi-automated and fully automated spectral processing techniques. However, the need to provide initial estimates of the number of peaks, their band shapes, and the initial parameters of these bands presents an obstacle to the full automation of peak fitting and its incorporation into fully automated spectral-preprocessing workflows. Moreover, the sensitivity of peak-fit routines to initial parameter settings and the resultant variations in solution quality further impede user-free operation. We have developed a technique to perform fully automated peak fitting on fully automated preconditioned spectra—specifically, baseline-corrected and smoothed spectra that are free of cosmic-ray-induced spikes. Briefly, the tallest peak in a spectrum is located and a Gaussian peak-fit is performed. The fitted peak is then subtracted from the spectrum, and the procedure is repeated until the entire spectrum has been processed. In second and third passes, all the peaks in the spectrum are fitted concurrently, but are fitted to a Pearson Type VII model using the parameters for the model established in the prior pass. The technique is applied to a synthetic spectrum with several peaks, some of which have substantial overlap, to test the ability of the method to recover the correct number of peaks, their true shape, and their appropriate parameters. Finally the method is tested on measured Raman spectra collected from human embryonic stem cells and samples of red blood cells.

PDF Article
More Like This
Automated decomposition algorithm for Raman spectra based on a Voigt line profile model

Yunliang Chen and Liankui Dai
Appl. Opt. 55(15) 4085-4094 (2016)

Surface-enhanced Raman scattering for rapid hematopoietic stem cell differentiation analysis

Nebras Alattar, Hasbullah Daud, Rasoul Al-Majmaie, Domonic Zeulla, Mohameed Al-Rubeai, and James H. Rice
Appl. Opt. 57(22) E184-E189 (2018)

Full range characterization of the Raman spectra of organs in a murine model

Naiyan Huang, Michael Short, Jianhua Zhao, Hequn Wang, Harvey Lui, Mladen Korbelik, and Haishan Zeng
Opt. Express 19(23) 22892-22909 (2011)

Cited By

You do not have subscription access to this journal. Cited by links are available to subscribers only. You may subscribe either as an Optica member, or as an authorized user of your institution.

Contact your librarian or system administrator
or
Login to access Optica Member Subscription

Select as filters


Select Topics Cancel
© Copyright 2024 | Optica Publishing Group. All Rights Reserved