Journal of the Korea Institute of Information and Communication Engineering (한국정보통신학회논문지)

The Korea Institute of Information and Commucation Engineering (한국정보통신학회)
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Improvement of Spectrum Detection Algorithm for Mass Spectrometer

질량분석기를 위한 스펙트럼 검출 알고리즘의 개선

  • Lee, Young Hawk (Department of Education, Dongeui University) ;
  • Choi, Hun (Department of Electronic Engineering, Dongeui University)
  • Received : 2018.11.30
  • Accepted : 2018.12.12
  • Published : 2019.01.31
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Abstract

An improved method of spectrum detection algorithm for mass spectrum analysis system is proposed. In the conventional spectrum detection algorithm that utilizes the results of the linear approximation and quadratic curve fitting on the ion signal block of each mass index, it is possible to reduce the detection error in the mass spectrum detection by further improving the condition of eliminating the invalid ion signals. Also, the proposed method can reduce the estimation error of the peak value of the mass spectrum by using the result of quadratic curve fitting for the effective ion signal block in which the peak position error is corrected. To evaluate the effectiveness of the proposed method, computer simulations were carried out step by step using the measured ion signal. Also, by comparing the rate of false detection for several inputs, the proposed method showed better detection performance than the conventional method.

질량 스펙트럼 분석 시스템을 위한 스펙트럼 검출 알고리즘의 개선 방법을 제안하였다. 질량지수별 이온신호블록에 대한 선형 근사 및 2차 커브피팅의 결과를 활용한 기존의 스펙트럼 검출 알고리즘에서 무효 이온신호 제거조건을 추가 개선함으로써 질량 스펙트럼 검출 시 발생하는 오검출을 개선할 수 있다. 또한 제안한 방법은 피크위치오차가 보정된 유효이온신호블록에 대한 2차 피팅 커브 의 결과를 사용하여 질량 스펙트럼의 피크값 추정오차를 줄일 수 있다. 제안한 방법의 유효성을 보이기 위해 실제 취득한 이온신호를 입력으로 알고리즘 단계별 컴퓨터 시뮬레이션을 수행하였다. 또한 다수의 입력에 대한 오검출 율을 비교함으로써 제안한 방법이 기존 방법에 비해 검출 성능이 우수함을 보였다.

Keywords

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Fig. 1 Quadratic curve fitting results for sub-blocks of ideal mass spectra

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Fig. 2 Linear fitting results for sub-blocks of ideal mass spectra

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Fig. 3 Peak position error to the right

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Fig. 4 Ion signals of SF6 gas used as input

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Fig. 5 Ion signal block and its sub-blocks

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Fig. 6 Elimination of invalid ion signals in ion signal block of k = 51

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Fig. 7 Elimination of invalid ion signals in ion signal block of k =53

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Fig. 8 PPE correction and peak determination in effective ion signal block of k =57

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Fig. 9 Final mass spectrum obtained by the proposed method (1 ≤ k ≤ 50)

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Fig. 10 Final mass spectrum obtained by the proposedmethod (50 ≤ k ≤ 130)

Table. 1 Logical conditions for eliminating invalid ion signals of existing method and effective ion signal block[7]

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Table. 2 Logical condition for eliminating invalid ion signals in the proposed method

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Table. 3 Detection error analysis results of the proposed algorithm and the conventional algorithm for 30 different inputs

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