| 光谱学与光谱分析 |
|
|
|
|
|
| Automatically Smoothing the Spectroscopic Data by Cubic B-Spline Basis Functions |
| ZHU Meng-hua1, LIU Liang-gang1, ZHENG Mei2, QI Dong-xu1, ZHENG Cai-mu1 |
1. Space Exploration Laboratory, Macao University of Science and Technology, Macao, China
2. Unit 61541 of the PLA, Beijing, China |
|
|
|
|
Abstract In the present paper, a new criterion is derived to obtain the optimum fitting curve while using Cubic B-spline basis functions to remove the statistical noise in the spectroscopic data. In this criterion, firstly, smoothed fitting curves using Cubic B-spline basis functions are selected with the increasing knot number. Then, the best fitting curves are selected according to the value of the minimum residual sum of squares (RSS) of two adjacent fitting curves. In the case of more than one best fitting curves, the authors use Reinsch’s first condition to find a better one. The minimum residual sum of squares (RSS) of fitting curve with noisy data is not recommended as the criterion to determine the best fitting curve, because this value decreases to zero as the number of selected channels increases and the minimum value gives no smoothing effect. Compared with Reinsch’s method, the derived criterion is simple and enables the smoothing conditions to be determined automatically without any initial input parameter. With the derived criterion, the satisfactory result was obtained for the experimental spectroscopic data to remove the statistical noise using Cubic B-spline basis functions.
|
|
Received: 2008-06-20
Accepted: 2008-09-26
|
|
|
|
Corresponding Authors:
ZHU Meng-hua
|
|
[1] Edwards T H, Willson P D. Applied Spectroscopy, 1974, 28: 541.
[2] Gorry P A. Analytical Chemistry, 1990, 62: 570.
[3] Evans S, Hiorns A G. Surface and Interface Analysis, 1986, 8: 71.
[4] Black W W. Nuclear Instruments and Methods, 1969, 71: 317.
[5] Mariscotti M A. Nuclear Instruments and Methods, 1967, 50: 309.
[6] Blaauw M. Nuclear Instruments and Methods, 1993, A336: 273.
[7] Routti J T, Prussin S G. Nuclear Instruments and Methods, 1969, 76: 109.
[8] Koskelo M J, Aarnio P A, Routti J T. Nuclear Instruments and Methods, 1981, 190: 89.
[9] Blinowska K J, Wessner E F. Nuclear Instruments and Methods, 1974, 118: 597.
[10] Inouye T, Harper T, Rasmussen N C. Nuclear Instruments and Methods, 1969, 67: 125.
[11] Kekre H B, Madan V K. Nuclear Instruments and Methods, 1986, A245: 542.
[12] Kekre H B, Madan V K, Bairi B R. Nuclear Instruments and Methods, 1989, A279: 596.
[13] Hampton C V, Lian B, McHarris W C. Nuclear Instruments and Methods, 1994, A353: 280.
[14] ZHU Menghua, LIU Lianggang, QI Dongxu, et al. Chinese Physics C, 2009, 33: 24.
[15] Reinsch C H. Numerische Mathematik, 1967, 10: 177.
[16] Reinsch C H. Numerische Mathematik, 1971, 16: 451.
[17] Proctor A, Fay M J, Hoffmann D P, et al. Applied Spectroscopy, 1990, 44: 1052.
[18] Saitou N, Iida A, Gohshi Y. Spectrochimica Acta, 1983, 38: 1277. |
| [1] |
LI Jie, ZHOU Qu*, JIA Lu-fen, CUI Xiao-sen. Comparative Study on Detection Methods of Furfural in Transformer Oil Based on IR and Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 125-133. |
| [2] |
XING Hai-bo1, ZHENG Bo-wen1, LI Xin-yue1, HUANG Bo-tao2, XIANG Xiao2, HU Xiao-jun1*. Colorimetric and SERS Dual-Channel Sensing Detection of Pyrene in
Water[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 95-102. |
| [3] |
LEI Hong-jun1, YANG Guang1, PAN Hong-wei1*, WANG Yi-fei1, YI Jun2, WANG Ke-ke2, WANG Guo-hao2, TONG Wen-bin1, SHI Li-li1. Influence of Hydrochemical Ions on Three-Dimensional Fluorescence
Spectrum of Dissolved Organic Matter in the Water Environment
and the Proposed Classification Pretreatment Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 134-140. |
| [4] |
LI Yu1, ZHANG Ke-can1, PENG Li-juan2*, ZHU Zheng-liang1, HE Liang1*. Simultaneous Detection of Glucose and Xylose in Tobacco by Using Partial Least Squares Assisted UV-Vis Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 103-110. |
| [5] |
WANG Xin-qiang1, 3, CHU Pei-zhu1, 3, XIONG Wei2, 4, YE Song1, 3, GAN Yong-ying1, 3, ZHANG Wen-tao1, 3, LI Shu1, 3, WANG Fang-yuan1, 3*. Study on Monomer Simulation of Cellulose Raman Spectrum[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 164-168. |
| [6] |
LIANG Ye-heng1, DENG Ru-ru1, 2*, LIANG Yu-jie1, LIU Yong-ming3, WU Yi4, YUAN Yu-heng5, AI Xian-jun6. Spectral Characteristics of Sediment Reflectance Under the Background of Heavy Metal Polluted Water and Analysis of Its Contribution to
Water-Leaving Reflectance[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 111-117. |
| [7] |
LIU Jia1, 2, GUO Fei-fei2, YU Lei2, CUI Fei-peng2, ZHAO Ying2, HAN Bing2, SHEN Xue-jing1, 2, WANG Hai-zhou1, 2*. Quantitative Characterization of Components in Neodymium Iron Boron Permanent Magnets by Laser Induced Breakdown Spectroscopy （LIBS）[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 141-147. |
| [8] |
XIA Ming-ming1, 2, LIU Jia3, WU Meng1, 2, FAN Jian-bo1, 2, LIU Xiao-li1, 2, CHEN Ling1, 2, MA Xin-ling1, 2, LI Zhong-pei1, 2, LIU Ming1, 2*. Three Dimensional Fluorescence Characteristics of Soluble Organic Matter From Different Straw Decomposition Products Treated With Calcium Containing Additives[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 118-124. |
| [9] |
BAO Hao1, 2，ZHANG Yan1, 2*. Research on Spectral Feature Band Selection Model Based on Improved Harris Hawk Optimization Algorithm[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 148-157. |
| [10] |
LAN Yan1，WANG Wu1，XU Wen2，CHAI Qin-qin1*，LI Yu-rong1，ZHANG Xun2. Discrimination of Planting and Tissue-Cultured Anoectochilus Roxburghii Based on SMOTE and Inception-CNN[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 158-163. |
| [11] |
HE Qing-yuan1, 2, REN Yi1, 2, LIU Jing-hua1, 2, LIU Li1, 2, YANG Hao1, 2, LI Zheng-peng1, 2, ZHAN Qiu-wen1, 2*. Study on Rapid Determination of Qualities of Alfalfa Hay Based on NIRS[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3753-3757. |
| [12] |
SONG Yi-ming1, 2, SHEN Jian1, 2, LIU Chuan-yang1, 2, XIONG Qiu-ran1, 2, CHENG Cheng1, 2, CHAI Yi-di2, WANG Shi-feng2，WU Jing1, 2*. Fluorescence Quantum Yield and Fluorescence Lifetime of Indole, 3-Methylindole and L-Tryptophan[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3758-3762. |
| [13] |
LI Wei1, TAN Feng2*, ZHANG Wei1, GAO Lu-si3, LI Jin-shan4. Application of Improved Random Frog Algorithm in Fast Identification of Soybean Varieties[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3763-3769. |
| [14] |
WANG Zhi-qiang1, CHENG Yan-xin1, ZHANG Rui-ting1, MA Lin1, GAO Peng1, LIN Ke1, 2*. Rapid Detection and Analysis of Chinese Liquor Quality by Raman
Spectroscopy Combined With Fluorescence Background[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3770-3774. |
| [15] |
YI Min-na1, 2, 3, CAO Hui-min1, 2, 3*, LI Shuang-na-si1, 2, 3, ZHANG Zhu-shan-ying1, 2, 3, ZHU Chun-nan1, 2, 3. A Novel Dual Emission Carbon Point Ratio Fluorescent Probe for Rapid Detection of Lead Ions[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3788-3793. |
|
|
|
|
