Identifying Process Differences with ToF-SIMS: An MVA Decomposition Strategy.

ABSTRACT: In time-of-flight secondary ion mass spectrometry (ToF-SIMS), multivariate analysis (MVA) methods such as principal component analysis (PCA) are routinely employed to differentiate spectra. However, additional insights can often be gained by comparing processes, where each process is characterized by its own start and end spectra, such as when identical samples undergo slightly different treatments or when slightly different samples receive the same treatment. This study proposes a strategy to compare such processes by decomposing the loading vectors associated with them, which highlights differences in the relative behavior of the peaks. This strategy identifies key information beyond what is captured by the loading vectors or the end spectra alone. While PCA is widely used, partial least

SUBMITTER: Fransaert N 

PROVIDER: S-EPMC11622371 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature