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Area of Science:

  • Analytical Chemistry
  • Mass Spectrometry

Background:

  • Established algorithms for mass spectrometry data correction exist.
  • The Brand et al. algorithm is a widely recognized standard.

Purpose of the Study:

  • To present an alternative mathematical approach for mass spectrometry correction.
  • To compare the new method with the established algorithm.
  • To provide a tool for users to perform data correction, normalization, and uncertainty propagation.

Main Methods:

  • Development of novel mathematical formulas for data correction.
  • Comparative analysis against the Brand et al. algorithm.
  • Simulation studies to assess accuracy and precision.
  • Creation of an EXCEL Add-In for practical application.

Main Results:

  • The new approach demonstrates improved accuracy across a broader range of measurements.
  • The developed EXCEL Add-In facilitates easy implementation and use.
  • The method allows for convenient uncertainty calculation aligned with international standards.

Conclusions:

  • The alternative mathematical approach offers enhanced accuracy and precision in mass spectrometry data correction.
  • The user-friendly EXCEL Add-In empowers researchers to independently manage their data evaluation.
  • This work provides a valuable tool for scientists, particularly those limited to specific mass ranges (44-46).