Data from magnetic resonance spectroscopy (MRS) experiments require quantification, which consists of fitting the measured data to a series of scaled, shifted and broadened spectral lines, referred to as a basis set. The numerical generation of basis sets necessitates certain assumptions and approximations to ensure practicality given the available computational power and memory size. However, these assumptions can substantially impact the derived spectral lineshapes. Common assumptions found throughout the literature were systematically investigated with our newly developed MAgnetic Resonance Spectrum Simulator (MARSS) software and recommendations are given to generate realistic basis sets for accurate quantification of MRS studies.
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