Author Affiliations
Key Laboratory of Radiation Physics and Technology, Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, Sichuan, Chinashow less
Fig. 1. Using Whittaker Smoother for denoising Raman spectroscopy data of Analcime with Gaussian white noise
Fig. 2. Using arPLS to deduct baseline for Raman spectral data of Analcime
Fig. 3. Peak-seeking effect of Raman spectroscopy in ROD (, , W=19). (a) Calcite; (b) Analcime; (c) Bindheimite; (d) Brookite
Fig. 4. Peak-seeking effect using symmetric zero-area method for Raman spectroscopy of Analcime. (a) Peaks of seeking; (b) SSi of peaks
Fig. 5. Peak-seeking correction of Bindheimite in ROD. (a) Before peak-seeking correction; (b) after peak-seeking correction
Fig. 6. Flow chart of WALPSZ peak-seeking algorithm
Fig. 7. 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
Fig. 8. Peak-seeking effect of WALPSZ peak-seeking algorithm. (a) Calcite; (b) Analcime; (c) Bindheimite; (d) Brookite
Fig. 9. Noise and background are deducted from Raman spectral data of measured sample. (a), (b) Anhydrite; (c), (d) Pyrite; (e), (f) Moissanite
Fig. 10. 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
Fig. 11. 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
Fig. 12. Peak-seeking effect of actual Raman spectroscopy of WALPSZ peak-seeking algorithm on three samples to be measured. (a) Anhydrite; (b) Pyrite; (c) Moissanite
Name | Formula | Peak 1 | Peak 2 | Peak 3 | Peak 4 | S1 | S2 | S3 | S4 |
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Almandine | Al2Ca0.12Fe2.58Mg0.27O12Si3 | 917.43 | 355.28 | 558.73 | 505.22 | 10.0 | 4.7 | 3.5 | 2.9 | Leiteite | As2O4Zn | 457.06 | 217.93 | 148.51 | 601.70 | 9.8 | 8.3 | 3.9 | 3.4 | Leightonite | CaCu0.68H4KO9S2 | 1003.07 | 461.17 | 625.57 | — | 10.0 | 5.0 | 1.6 | — | Zwieselite | FFe2O4P | 978.32 | 424.85 | 1068.96 | 607.09 | 10.0 | 2.7 | 2.2 | 1.9 | Hanksite | C2ClKNa22O42S9 | 989.74 | 1080.38 | 630.57 | 1114.13 | 10.0 | 3.2 | 1.5 | 1.3 | Lepidocrocite | FeHO2 | 247.58 | 372.93 | 214.31 | 306.40 | 10.0 | 4.0 | 2.3 | 1.7 |
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Table 1. Part of peaks obtained by batch peak-seeking of ROD
Name | Peaks from ROD /cm-1 | Peaks from RRUFF /cm-1 | Peaks from measured samples /cm-1 | Actual peaks[19-21] /cm-1 |
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Anhydrite | 1018.2 | 1017.1 | 1018.2 | 1017 | 1130.9 | 1129.0 | 1130.9 | 1130 | 500.2 | 498.8 | 500.2 | 500 | 417.7 | 416.8 | 417.8 | 417 | Pyrite | 344.1 | 343.4 | 343.5 | 343 | 380.3 | 379.9 | 379.6 | 379 | Moissanite | 789.1 | 788.7 | 788.2 | 789 | 767.5 | 767.0 | 768.3 | 760-800 | 968.5 | 965.7 | 969.5 | 965-972 |
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Table 2. Comparison of Raman spectral peaks from four sources