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A methodology of multivariate chemometric techniques based on the information‐theoretic approach was applied for elucidating chemical reaction information from a Raman data array Rm×ν that arises from in situ reaction monitoring. This reaction‐induced dynamic dataset Rm×ν can be contaminated by random cosmic ray spikes found in the midst of characteristic spectral variations associated with the disappearance...
Vibrational spectroscopy is being used routinely to measure multi-component samples and often times these data possess spectroscopic non-idealities such as highly overlapping spectral bands, presence of spectral non-linearities, etc. A multivariate curve resolution algorithm coined as automatic band-target entropy minimization (AutoBTEM) was developed to achieve self-modeling curve resolution of pure...
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