Peak Finding and Library Comparison

Peak and library workflows help connect multivariate results back to spectral features.

Peak Finding

Peak finding identifies local spectral features and can report positions, widths, areas, and fitted peak summaries when the workflow supports them. Use it after confirming that the axis and preprocessing are appropriate.

Library Comparison

Library comparison evaluates sample spectra against reference spectra using similarity metrics and overlap checks. Treat high similarity as evidence to inspect, not as automatic compound identification.

Good Practice

Always inspect:

• spectral overlap
• baseline behavior
• axis units and direction
• whether diagnostic bands are actually present
• whether the reference source should be cited