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离子阱质谱仪质量分段校正算法研究

PEI Hong-ming, LIU Mei-ying,XU He-yi,ZHANG Di, XIE Jie,QU Zi-yu,HUANG Ze-jian, JIANG Chang-yuan, MENG Ying-yan,DAI Xin-hua, FANG Xiang, WANG Qing-hui,JIANG You

Journal of Chinese Mass Spectrometry Society（2023）

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Abstract
针对质谱仪质量校正过程中分段校正模式下手动分段效率低的问题,本研究设计了一种自动分段校正算法,以提高校正精度,方便快速操作.利用逐点拟合来判断分段区间是否符合要求并确定各分段区间,使质量范围自动分段以减小各检查点的质量偏差.实验结果表明,该算法可将质量范围合理分段,并建立新的线性关系,使各检查点偏差控制在较低的预设范围(0.1 u)内,有效地提高了仪器校正效率及测量精度.
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Key words
mass spectrometer,mass calibration,mass shift,automatic calibration algorithm
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