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建立了对色谱保留时间漂移的自动校正方法并开发了相关的软件,有效的提高对复杂色谱样本进行后续分析处理方法的效果。自动校正方法主要通过参考峰的选择和匹配,局部线性调整和容差校正实现对大量复杂色谱数据的保留时间漂移的校正。通过质谱图库的检索与匹配证实了所选择的参考峰的有效性和准确性,通过对卷烟样品数据的处理和分析,证明了应用该方法可显著的提高后续数据分析方法的效果。
An automatic calibration method for chromatographic retention time drift was established and related software was developed to effectively improve the performance of subsequent analytical processing of complex chromatographic samples. The automatic calibration method mainly corrects the retention time drift of a large number of complex chromatographic data by selecting and matching reference peaks, local linear adjustment and tolerance correction. The validity and accuracy of the selected reference peaks were confirmed by the search and matching of the mass spectrum library. The processing and analysis of the data of the cigarette samples proves that the application of this method can significantly improve the effect of the subsequent data analysis methods.