CAJ | 학술논문

提出了一种以样品光谱类间相关系数之和最小为准则进行光谱波长逐步筛选的方法（stepwise se-lection basing on minimum sum of correlation coefficients ，SMCC），以类间距离与类内距离和的比值最大化（符合分析者主观预期目标）作为定性分析中特征波长筛选效果的评价依据，并使用红塔集团提供的2012年17种不同类型工业分级烟叶作为试验样品，以验证筛选方法的有效性。研究表明，采用CO1分级烟叶光谱作为参照类别，筛选出10个特征波长点：采用特征波长计算得到的类内欧氏距离的平均值为采用全部波长计算得到的平均值的1.69倍，采用特征波长计算得到的类间欧氏距离的平均值为采用全部波长计算得到的平均值的3.70倍，采用特征波长计算得到的类间欧氏距离与类内欧氏距离和的比值的平均值为采用全部波长计算得到的平均值的2.21倍。特征波长的类间与类内欧氏距离和的比值增大，说明筛选出来的特征波长能更加有效的表达不同类间的远近关系以及同一类内的离散度，SMCC算法是一种有效的、可应用于近红外光谱定性分析中的特征波长筛选方法。
제출료일충이양품광보류간상관계수지화최소위준칙진행광보파장축보사선적방법（stepwise se-lection basing on minimum sum of correlation coefficients ，SMCC），이류간거리여류내거리화적비치최대화（부합분석자주관예기목표）작위정성분석중특정파장사선효과적평개의거，병사용홍탑집단제공적2012년17충불동류형공업분급연협작위시험양품，이험증사선방법적유효성。연구표명，채용CO1분급연협광보작위삼조유별，사선출10개특정파장점：채용특정파장계산득도적류내구씨거리적평균치위채용전부파장계산득도적평균치적1.69배，채용특정파장계산득도적류간구씨거리적평균치위채용전부파장계산득도적평균치적3.70배，채용특정파장계산득도적류간구씨거리여류내구씨거리화적비치적평균치위채용전부파장계산득도적평균치적2.21배。특정파장적류간여류내구씨거리화적비치증대，설명사선출래적특정파장능경가유효적표체불동류간적원근관계이급동일류내적리산도，SMCC산법시일충유효적、가응용우근홍외광보정성분석중적특정파장사선방법。
The present article proposed a method of stepwise selecting characteristic wavelengths based on minimum sum of cor-relation coefficients (SMCC) .The maximization of the ratio of inter-class Euclidean distance to the sum of inner-class Euclidean distances was used as evaluation basis in qualitative analysis of near infrared spectroscopy .Seventeen kinds of grading tobacco leaf in 2012 ,provided by Hongta Group ,were used as experimental samples to verify the effectiveness of this new method .CO1 was selected as the reference category and ten points were selected as characteristic wavelengths .The results indicated that the average value of inner-class Euclidean distance ,calculated by characteristic wavelengths ,was 1.69 times as large as that calcu-lated by all wavelengths .The average value of inter-class Euclidean distance ,calculated by characteristic wavelengths ,was 3.70 times as large as that calculated by all wavelengths .The average value of the ratio of inter-class Euclidean distance to the sum of inner-class Euclidean distances ,calculated by characteristic wavelength ,was 2.21 times as large as that calculated by all wave-lengths .The ratio of characteristic wavelengths was increased .The characteristic wavelengths can express the classical differ-ences .It was showed that SMCC was an effective way to select characteristic wavelengths in qualitative analyses of near infrared spectroscopy .