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An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a low-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.
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Diagnosing underdetermination in stable isotope mixing models.

Yutaka Osada1,2, Jun Matsubayashi1,2, Ichiro Tayasu2

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Stable isotope mixing models (SIMMs) can now be diagnosed for underdetermination using a new statistical method. This approach quantifies uncertainty in source contributions, improving ecological, geological, and archaeological interpretations.

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Area of Science:

  • Ecology
  • Geology
  • Archaeology
  • Statistical Modeling

Background:

  • Stable isotope mixing models (SIMMs) are crucial for quantifying source contributions in mixtures.
  • Bayesian SIMMs have advanced, but underdetermination of mixing space limits accurate estimation of source contributions.

Purpose of the Study:

  • To develop a statistical method for quantitatively diagnosing underdetermination in Bayesian SIMMs.
  • To introduce the β-dependent SIMM as a tool for assessing the identifiability of source contributions.

Main Methods:

  • Proposed a novel statistical method, termed β-dependent SIMM, to diagnose underdetermination.
  • Applied the method to simulation data and published field data to demonstrate its utility.

Main Results:

  • The β-dependent SIMM rigorously quantifies expected underdetermination through β-dependent posterior intervals.
  • Identified limitations of ordinary SIMMs in quantifying individual source underdetermination and potential inconsistencies with joint posterior peaks.

Conclusions:

  • β-dependent SIMMs serve as a valuable diagnostic tool for addressing underdetermined mixing problems.
  • Recommends reporting β-dependent SIMM results alongside ordinary SIMMs for biologically feasible and sound interpretations of stable isotope data.