Spectroscopy and Spectral Analysis, Volume. 42, Issue 6, 1774(2022)

Research on Identification of Danshen Origin Based on Micro-Focused Raman Spectroscopy Technology

Qing LI1,1; 2;... Li XU1,1; 2;, Shan-gui PENG1,1; 2;, Xiao LUO1,1; 2;, Rong-qin ZHANG1,1; 2;, Zhu-yun YAN3,3; and Yong-sheng WEN1,1; 2; *; |Show fewer author(s)
Author Affiliations
  • 11. Chengdu Institute for Drug Control, Chengdu 610045, China
  • 33. Chengdu University of Traditional Chinese Medicine, Chengdu 611137, China
  • show less
    Figures & Tables(9)
    Optimization results of random forest model parameters(a): The relationship diagram between n_estimator and OOB_SCORE; (b): The relationship diagram between max_features and OOB_SCORE
    Origins of danshen and their representative samples
    The relationship between the importance of spectral variables after 1st-d processing and wave numbers
    Original spectra of surface of danshen with different scanning times and tanshinone components
    The confusion matrix of the test set of the optimal RF model (a) and the optimal RF-VS model (b)
    • Table 1. Information of 150 samples of danshen

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      Table 1. Information of 150 samples of danshen

      采样区域
      (见图1)
      采样点
      (见图1)
      样本数量土壤类型地貌
      a粉色点17沙质平原
      b深蓝色点17沙质平原
      c亮绿色点67黄棕丘陵
      d红色点30黄棕丘陵
      e黄色点19黄棕丘陵
    • Table 1. The results of best models under the conditions of different scanning times

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      Table 1. The results of best models under the conditions of different scanning times

      扫描次数模型数据前处
      理方法
      训练集测试集变量数
      /个
      界值
      ACCACC
      扫描一次RF-VS1ST-D88871670.009 207
      扫描二次RF-VS3RD-D8987990.013 165
      扫描三次RF-VS3RD-D89873070.008 811
    • Table 2. The results of the model under the conditions of different determination times

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      Table 2. The results of the model under the conditions of different determination times

      测定次数模型数据前处理方法训练集测试集主成分数变量数/个界值
      ACCACC
      测定一次PLS-DAOriginal data736823 216
      MSC746533 216
      SNV696823 216
      1ST-D746823 215
      2ND-D696823 214
      3RD-D696523 213
      RFOriginal data83873 2160
      MSC86873 2160
      SNV82683 2160
      1ST-D87813 2150
      2ND-D87843 2140
      3RD-D87813 2130
      RF-VSOriginal data8687870.013 837
      MSC86873660.008 228
      SNV81772950.010 197
      1ST-D88871670.009 207
      2ND-D8881290.014 741
      3RD-D88871980.009 325
      测定二次PLS-DAOriginal data716823 216
      MSC746533 216
      SNV706523 216
      1ST-D736823 215
      2ND-D706823 214
      3RD-D696523 213
      RFOriginal data87813 2160
      MSC85843 2160
      SNV82713 2160
      1ST-D88773 2150
      2ND-D88773 2140
      3RD-D88773 2130
      RF-VSOriginal data86843 2150.011 960
      MSC87841010.007 782
      SNV84773190.008 426
      1ST-D87843 2140.009 207
      2ND-D87873 2130.014 382
      3RD-D8987990.013 165
      测定三次PLS-DAOriginal data716823 216
      MSC746543 216
      SNV716523 216
      1ST-D736823 215
      2ND-D696823 214
      3RD-D686833 213
      RFOriginal data85843 2160
      MSC82873 2160
      SNV84743 2160
      1ST-D89843 2150
      2ND-D89813 2140
      3RD-D90773 2130
      RF-VSOriginal data8687780.011 553
      MSC85841560.010 343
      SNV83772180.008 102
      1ST-D89843030.009 168
      2ND-D89841670.017 988
      3RD-D89873070.008 811
    • Table 3. Test set confusion matrix of PLS-DA model after MSC processing

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      Table 3. Test set confusion matrix of PLS-DA model after MSC processing

      MemerbersACC/%abcde
      40a00400
      2100b02000
      1283c001020
      9100d00090
      40e02200
      0No class00000
      167.74Total0416110
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    Qing LI, Li XU, Shan-gui PENG, Xiao LUO, Rong-qin ZHANG, Zhu-yun YAN, Yong-sheng WEN. Research on Identification of Danshen Origin Based on Micro-Focused Raman Spectroscopy Technology[J]. Spectroscopy and Spectral Analysis, 2022, 42(6): 1774

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    Paper Information

    Category: Research Articles

    Received: Mar. 31, 2021

    Accepted: --

    Published Online: Nov. 14, 2022

    The Author Email:

    DOI:10.3964/j.issn.1000-0593(2022)06-1774-07

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