中药色谱指纹图谱相似度计算中保留时间校正方法的研究

Retention Time Correction Method in the Similarity Calculation of the Chromatographic Fingerprints of Traditional Chinese Medicine

从保留时间校正方法对线性推移、非线性推移和时间延迟的校正效果方面探讨了保留时间校正方法的适用范围。认为一点法校正仅能校正线性推移;两点法可以校正时间延迟和线性推移,并能部分校正非线性推移。多点法使用分段线性逼近的方法对非线性推移有良好的校正效果。

Effects of different retention time correction formulae on linear shift, nonlinear shift and retention time delay are discussed. And the actual samples of Radix Salviae mihiorhizae were used to cheek the correctness of different correction formulae. Single-point formula deals well only with linear shift. Dual-point formula is suitable for the correction of nonlinear shift and retention time delay. Multi-point formula, depending on the segmented linear approximation, turns out to be effective in correcting the nonlinear shift.