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EXCEL在气相色谱-质谱检测中的应用

Application of EXCEL in Gas Chromatography-Mass Spectrometic Analysis

  • 摘要: 为了实现自动处理有机色谱分析数据,以Agilent 6890/5973N气相色谱-质谱仪检测地下水中挥发性有机化合物和多环芳烃的数据源为基础,编写了EXCEL应用程序,按批进行数据自动汇总、定性确认和结果计算,设置了对误确认数据的可逆恢复功能;对实验室空白、野外空白、实验室空白加标、实验室平行样、样品基体加标和质控样品回收率等各项质量控制指标进行统计和评价,并对分析方法长期性能的稳定性进行评价;同时生成质量控制报告,提供向数据库录入数据功能。

     

    Abstract: An EXCEL program for data processing and quality evaluation in determination of volatile organic compounds and polycyclic aromatic hydrocarbons in groundwater by gas chromatography-mass spectrometry (GC-MS) based on the Macros (VBA) was completed. The program provides the functions of source-data gathering from an Agilent 6890-5973N GC-MS, qualitative identification of compounds, calculation of results and reversibly dealing with incorrect confirmed data based on Q-value limits (as a measurement of qualifier ratio). The program also provides the functions of statistics and evaluation for various quality control indexes, such as laboratory reagent blanks, field reagent blanks, reproducibility deviations of laboratory duplicates, recovery of standard addition of the samples, recovery of quality control samples and long-term performance of the analytical method. It also provides functions of forming quality control reports and transferring the data to a database.

     

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