Using the Response Distribution to Compare and Optimize Untargeted Analysis Techniques

Many complex mixtures have, on the high response side, a log-normal distribution of response amplitudes of detected components. A list of the response amplitudes for a given sample can easily be tested for this characteristic. When the data collected fit the log-normal distribution, the number and response levels of the detectable components which were not detected can be determined. This analysis is readily accomplished in an Excel spreadsheet. Log-normal fits, and the parameters of those fits, when collected over a range of samples and sample types, could provide a new metric to characterize and compare the techniques employed as well as the nature of the mixtures studied.

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Publication Details

Journal
Journal of the American Society for Mass Spectrometry
Published
2024-08-09
DOI
https://doi.org/10.1021/jasms.4c00272
Primary Topic
Mass Spectrometry Techniques and Applications
Type
article
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article

Using the Response Distribution to Compare and Optimize Untargeted Analysis Techniques

Christie G. Enke
Journal of the American Society for Mass Spectrometry
Mass Spectrometry Techniques and Applications
article

Using the Response Distribution to Compare and Optimize Untargeted Analysis Techniques

Christie G. Enke
article en

Abstract

Many complex mixtures have, on the high response side, a log-normal distribution of response amplitudes of detected components. A list of the response amplitudes for a given sample can easily be tested for this characteristic. When the data collected fit the log-normal distribution, the number and response levels of the detectable components which were not detected can be determined. This analysis is readily accomplished in an Excel spreadsheet. Log-normal fits, and the parameters of those fits, when collected over a range of samples and sample types, could provide a new metric to characterize and compare the techniques employed as well as the nature of the mixtures studied.

Journal of the American Society for Mass SpectrometryVol. 35(9)
University of New Mexico (US)
Openalex Percentile: Top 91%
Mass Spectrometry Techniques and Applications
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