Articles | Volume 14, issue 10
Atmos. Meas. Tech., 14, 6551–6560, 2021
https://doi.org/10.5194/amt-14-6551-2021
Atmos. Meas. Tech., 14, 6551–6560, 2021
https://doi.org/10.5194/amt-14-6551-2021
Research article
11 Oct 2021
Research article | 11 Oct 2021

Correcting bias in log-linear instrument calibrations in the context of chemical ionization mass spectrometry

Chenyang Bi et al.

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Cited articles

Bertram, T. H., Kimmel, J. R., Crisp, T. A., Ryder, O. S., Yatavelli, R. L. N., Thornton, J. A., Cubison, M. J., Gonin, M., and Worsnop, D. R.: A field-deployable, chemical ionization time-of-flight mass spectrometer, Atmos. Meas. Tech., 4, 1471–1479, https://doi.org/10.5194/amt-4-1471-2011, 2011. 
Bi, C., Krechmer, J. E., Frazier, G. O., Xu, W., Lambe, A. T., Claflin, M. S., Lerner, B. M., Jayne, J. T., Worsnop, D. R., Canagaratna, M. R., and Isaacman-VanWertz, G.: Coupling a gas chromatograph simultaneously to a flame ionization detector and chemical ionization mass spectrometer for isomer-resolved measurements of particle-phase organic compounds, Atmos. Meas. Tech., 14, 3895–3907, https://doi.org/10.5194/amt-14-3895-2021, 2021. 
Brophy, P.: Development, characterization, and deployment of a high-resolution time-of-flight chemical ionization mass spectrometer (hr-tof-cims) for the detection of carboxylic acids and trace-gas species in the troposphere, Colorado State University, 1–215, 2016. 
Brophy, P. and Farmer, D. K.: Clustering, methodology, and mechanistic insights into acetate chemical ionization using high-resolution time-of-flight mass spectrometry, Atmos. Meas. Tech., 9, 3969–3986, https://doi.org/10.5194/amt-9-3969-2016, 2016. 
Crounse, J. D., McKinney, K. A., Kwan, A. J., and Wennberg, P. O.: Measurement of gas-phase hydroperoxides by chemical ionization mass spectrometry, Anal. Chem., 78, 6726–6732, https://doi.org/10.1021/ac0604235, 2006. 
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Short summary
Calibration techniques have been recently developed to log-linearly correlate analyte sensitivity with CIMS operating conditions particularly for compounds without authentic standards. In this work, we examine the previously ignored bias in the log-linear-based calibration method and estimate an average bias of 30 %, with 1 order of magnitude for less sensitive compounds in some circumstances. A step-by-step guide was provided to reduce and even remove the bias.