Orders of Magnitude Extension of the Effective Dynamic Range of TDC-Based TOFMS Data Through Maximum Likelihood Estimation
Author(s)
Ipsen, A
Ebbels, TMD
Type
Journal Article
Abstract
In a recent article, we derived a probability distribution that was shown to
closely approximate that of the data produced by liquid chromatography time-of-flight
mass spectrometry (LC/TOFMS) instruments employing time-to-digital converters
(TDCs) as part of their detection system. The approach of formulating detailed and
highly accurate mathematical models of LC/MS data via probability distributions that
are parameterized by quantities of analytical interest does not appear to have been
fully explored before. However, we believe it could lead to a statistically rigorous
framework for addressing many of the data analytical problems that arise in LC/MS
studies. In this article, we present new procedures for correcting for TDC saturation
using such an approach and demonstrate that there is potential for significant
improvements in the effective dynamic range of TDC-based mass spectrometers, which could make them much
more competitive with the alternative analog-to-digital converters (ADCs). The degree of improvement depends
on our ability to generate mass and chromatographic peaks that conform to known mathematical functions and
our ability to accurately describe the state of the detector dead time—tasks that may be best addressed through
engineering efforts
closely approximate that of the data produced by liquid chromatography time-of-flight
mass spectrometry (LC/TOFMS) instruments employing time-to-digital converters
(TDCs) as part of their detection system. The approach of formulating detailed and
highly accurate mathematical models of LC/MS data via probability distributions that
are parameterized by quantities of analytical interest does not appear to have been
fully explored before. However, we believe it could lead to a statistically rigorous
framework for addressing many of the data analytical problems that arise in LC/MS
studies. In this article, we present new procedures for correcting for TDC saturation
using such an approach and demonstrate that there is potential for significant
improvements in the effective dynamic range of TDC-based mass spectrometers, which could make them much
more competitive with the alternative analog-to-digital converters (ADCs). The degree of improvement depends
on our ability to generate mass and chromatographic peaks that conform to known mathematical functions and
our ability to accurately describe the state of the detector dead time—tasks that may be best addressed through
engineering efforts
Date Issued
2014-07-22
Date Acceptance
2014-07-02
Citation
Journal of the American Society for Mass Spectrometry, 2014, 25 (10), pp.1824-1827
ISSN
1044-0305
Publisher
Springer Verlag (Germany)
Start Page
1824
End Page
1827
Journal / Book Title
Journal of the American Society for Mass Spectrometry
Volume
25
Issue
10
Copyright Statement
© The Author(s), 2014. This article is published with open access at Springerlink.com
License URL
Subjects
Science & Technology
Life Sciences & Biomedicine
Physical Sciences
Technology
Biochemical Research Methods
Chemistry, Analytical
Chemistry, Physical
Spectroscopy
Biochemistry & Molecular Biology
Chemistry
Time-of-flight mass spectrometry
Maximum likelihood estimation
Dynamic range
Time to-digital converter
Statistics
Dead time
Detector saturation
MASS-SPECTROMETRY DATA
IDENTIFICATION
Publication Status
Published