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建立测定克霉唑粉末药品的近红外漫反射光谱结合可移动窗口偏最小二乘法(MW-PLS)多元校正模型。选择有效的光谱预处理方法,并对窗口宽度,窗口移动的位置,以及隐变量数对模型参数进行优化,使用逼近度作为建模参数优化评价指标,最终得到测定克霉唑粉末药品的最佳模型。用该模型进行预测,校正集和验证集的预测值和真实值间的相关系数(Rc)分别为0.9558和0.9645,校正集的均方根误差(RMSEC)为0.0041,验证集均方根误差(RMSEP)为0.0043,表明该模型的稳健性、拟合度和预测能力都令人满意。
To establish a multivariate calibration model for the determination of clotrimazole powders by near infrared diffuse reflectance spectroscopy combined with the mobile window partial least squares (MW-PLS). Select effective spectral preprocessing method, and optimize the model parameters by the window width, the position of the window movement, and the hidden variables, and use the approximation degree as the optimization evaluation index of the modeling parameters, and finally obtain the best determination of clotrimazole powder drugs model. Using this model, the correlation coefficients (Rc) between the predicted and true values of the calibration set and the validation set are 0.9558 and 0.9645, respectively. The RMSEC of the calibration set is 0.0041. The root mean square error of validation set RMSEP) is 0.0043, which shows that the model is satisfactory in robustness, fitness and predictive ability.