CAJ | 학술논문

采用近红外漫反射光谱和偏最小二乘法(PLS)建立了土壤锌快速分析的定量模型,并进行了波段优选.首先,基于单波长模型预测效果将全体样品划分为定标集和预测集;然后,采用多元散射校正(MSC)和Savitzky-Golay(SG)平滑方法对光谱进行预处理.选取全谱400～2 500 nm,400～1 100 nm,1 100～1 900 nm,1 900～2 500 nm,580～900 nm等5个波段,每个波段分别采用原谱、一阶导数谱、二阶导数谱,共建立了15个定标模型.同时调整SG平滑点数和PLS因子数,每个模型分别进行PLS数值实验,按照预测效果进行优选.结果显示,采用1 900～2 500 nm波段一阶导数谱的模型效果最好,预测相关系数(RP)、RMSEP、RRMSEP分别为0.806,31.0 mg/kg和19.96%.这些结果表明,1 900～2500 nm波段可以代替全谱波段得到更好的预测效果,可为设计专用土壤近红外光谱仪提供依据.
채용근홍외만반사광보화편최소이승법(PLS)건립료토양자쾌속분석적정량모형,병진행료파단우선.수선,기우단파장모형예측효과장전체양품화분위정표집화예측집;연후,채용다원산사교정(MSC)화Savitzky-Golay(SG)평활방법대광보진행예처리.선취전보400～2 500 nm,400～1 100 nm,1 100～1 900 nm,1 900～2 500 nm,580～900 nm등5개파단,매개파단분별채용원보、일계도수보、이계도수보,공건립료15개정표모형.동시조정SG평활점수화PLS인자수,매개모형분별진행PLS수치실험,안조예측효과진행우선.결과현시,채용1 900～2 500 nm파단일계도수보적모형효과최호,예측상관계수(RP)、RMSEP、RRMSEP분별위0.806,31.0 mg/kg화19.96%.저사결과표명,1 900～2500 nm파단가이대체전보파단득도경호적예측효과,가위설계전용토양근홍외광보의제공의거.
The quantification model of zinc rapid analysis in the soils was established by using near-infrared diffuse reflectance spectroscopy and a Partial Least Square (PLS) method, and the optimal measured wave band was also selected. All the samples were divided into calibration set and prediction set based on the prediction effect of single wavelength model, and then the spectra were pretreated by Multiplicative Scatter Correction (MSC) and Savitzky-Golay (SG) smoothing methods. The following five wave bands, the whole region 400-2 500 nm,400-1 100 nm,1 100-1 900 nm,1 900-2 500 nm,580-900 nm were selected, and 15 calibration models were constructed for each band selected by the original spectra, the first derivative spectra and the second derivative spectra respectively. By simultaneous adjusting the numbers of SG smoothing points and PLS factors,the PLS computational experiments for each model were carried out and the best model was selected according to the prediction effect. The results indicate that the prediction effect of the model using the first derivative spectra in 1 900-2 500 nm is the best, and its prediction correlation coefficient (RP), RMSEP and RRMSEP are 0.806, 31.0 mg/kg, and 19.96% respectively. Obtained results show that 1 900-2 500 nm can replace the whole band to get a better calibration effect, and can provide a basis for the design of special soil near-infrared spectroscopy instruments.