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- W2999202502 abstract "Computation of the space charge effect within an ion trap may cost a few days to even years in clusters. Here, we report a statistical algorithm that can compute the space charge effect within a few minutes via a personal computer, without scarifying the accuracy. The key technology developed here was an effective electric field extracted from the statistics of N ions to replace the time-consuming computation of ion–ion Coulombic interactions, therefore reducing the computational burden from ∼N2 to ∼N; then, the burden was further reduced by shrinking the sampling size to Nsim = 500. For a linear ion trap (LIT) with an ion capacity N = 1 × 10 5∼1 × 106, this indicated an improved efficiency of N2/Nsim , i.e., 20 million∼2 billion-fold. Using the algorithm, space charge effects under different trapping conditions were explored, and the acquired knowledge enabled the spectral correction of the mass shift and peak broadening due to the effect in a miniature dual-LIT mass spectrometer." @default.
- W2999202502 created "2020-01-23" @default.
- W2999202502 creator A5063879522 @default.
- W2999202502 creator A5071447585 @default.
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- W2999202502 date "2020-01-15" @default.
- W2999202502 modified "2023-10-12" @default.
- W2999202502 title "Statistical Algorithm Enables Rapid Computation of Space Charge Effect and Spectral Correction in a Miniature Ion Trap Mass Spectrometer" @default.
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- W2999202502 doi "https://doi.org/10.1021/jasms.9b00115" @default.
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