Acta Optica Sinica, Volume. 44, Issue 3, 0330001(2024)

Application of Improved Symmetric Zero-Area Conversion Peak-Seeking Algorithm in Raman Spectroscopy

Hai Wang, Ning Huang*, Ze He, Peng Wang, and Jingxi Yuan
Author Affiliations
  • Key Laboratory of Radiation Physics and Technology, Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, Sichuan, China
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    Figures & Tables(14)
    Using Whittaker Smoother for denoising Raman spectroscopy data of Analcime with Gaussian white noise
    Using arPLS to deduct baseline for Raman spectral data of Analcime
    Peak-seeking effect of Raman spectroscopy in ROD (HL=8, HG=12, W=19). (a) Calcite; (b) Analcime; (c) Bindheimite; (d) Brookite
    Peak-seeking effect using symmetric zero-area method for Raman spectroscopy of Analcime. (a) Peaks of seeking; (b) SSi of peaks
    Peak-seeking correction of Bindheimite in ROD. (a) Before peak-seeking correction; (b) after peak-seeking correction
    Flow chart of WALPSZ peak-seeking algorithm
    Peak-seeking effects of partial peaks obtained by batch peak-seeking of ROD. (a) Almandine; (b) Leiteite; (c) Leightonite; (d) Zwieselite; (e) Hanksite; (f) Lepidocrocite
    Peak-seeking effect of WALPSZ peak-seeking algorithm. (a) Calcite; (b) Analcime; (c) Bindheimite; (d) Brookite
    Noise and background are deducted from Raman spectral data of measured sample. (a), (b) Anhydrite; (c), (d) Pyrite; (e), (f) Moissanite
    Effect of Raman spectroscopy peak-seeking of WALPSZ peak-seeking algorithm in ROD on three samples to be measured. (a) Anhydrite; (b) Pyrite; (c) Moissanite
    Effect of Raman spectroscopy peak-seeking of WALPSZ peak-seeking algorithm in RRUFF on three samples to be measured. (a) Anhydrite; (b) Pyrite; (c) Moissanite
    Peak-seeking effect of actual Raman spectroscopy of WALPSZ peak-seeking algorithm on three samples to be measured. (a) Anhydrite; (b) Pyrite; (c) Moissanite
    • Table 1. Part of peaks obtained by batch peak-seeking of ROD

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      Table 1. Part of peaks obtained by batch peak-seeking of ROD

      NameFormulaPeak 1Peak 2Peak 3Peak 4S1S2S3S4
      AlmandineAl2Ca0.12Fe2.58Mg0.27O12Si3917.43355.28558.73505.2210.04.73.52.9
      LeiteiteAs2O4Zn457.06217.93148.51601.709.88.33.93.4
      LeightoniteCaCu0.68H4KO9S21003.07461.17625.5710.05.01.6
      ZwieseliteFFe2O4P978.32424.851068.96607.0910.02.72.21.9
      HanksiteC2ClKNa22O42S9989.741080.38630.571114.1310.03.21.51.3
      LepidocrociteFeHO2247.58372.93214.31306.4010.04.02.31.7
    • Table 2. Comparison of Raman spectral peaks from four sources

      View table

      Table 2. Comparison of Raman spectral peaks from four sources

      NamePeaks from ROD /cm-1Peaks from RRUFF /cm-1

      Peaks from

      measured samples /cm-1

      Actual peaks19-21 /cm-1
      Anhydrite1018.21017.11018.21017
      1130.91129.01130.91130
      500.2498.8500.2500
      417.7416.8417.8417
      Pyrite344.1343.4343.5343
      380.3379.9379.6379
      Moissanite789.1788.7788.2789
      767.5767.0768.3760-800
      968.5965.7969.5965-972
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    Hai Wang, Ning Huang, Ze He, Peng Wang, Jingxi Yuan. Application of Improved Symmetric Zero-Area Conversion Peak-Seeking Algorithm in Raman Spectroscopy[J]. Acta Optica Sinica, 2024, 44(3): 0330001

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    Paper Information

    Category: Spectroscopy

    Received: Sep. 18, 2023

    Accepted: Nov. 13, 2023

    Published Online: Feb. 29, 2024

    The Author Email: Huang Ning (huang_ning@scu.edu.cn)

    DOI:10.3788/AOS231562

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