摘要
本文基于吸光度矩阵的奇值分解,并利用广义逆代替CPA法中的通常求逆过程,建立了改进的CPA法。算法中通过用样本的预测误差平方和(PRESS)合理地舍去吸光度中的实验误差,从而使系数矩阵P中元素的数值大为减小,提高了预测精度。未方法用于测定二元或三元混合稀土中单一稀土元素,结果满意。
Based on odd value decomposition of the ab-sorbance matrix,a modified CPA algorithm is devel-oped.In this algorithm ,the pseudoinverse A ̄+ is usedinstead of the usual matrix,A ̄T(AA ̄T) ̄(-1)and the opti-mal P matrix is determined by the PRESS of the cali-bration set.The prediction accuracy is better than theCPA matrix method,because the value of P matrix el-ements is determined. Two and three component rareearth elements were determined simultaneously andsatisfactory results were obtained.
出处
《分析试验室》
CAS
CSCD
北大核心
1994年第2期56-58,共3页
Chinese Journal of Analysis Laboratory
关键词
CPA法
多元校正
稀土金属
Modified CPA method
single rareearth analysis
multivariate spectrophotometry
multi-variate calibration