EVRI-thing You Need to Know About Shift Invariant Tri-linearity for Spectral Unmixing in LC/GC-MS
High throughput pharmaceutical experiments and -omics studies rely on spectral unmixing of large multi-sample data sets generated from hyphenated chromatography measurements. To assist in this task, PLS_Toolbox 9.3 introduced ALS_SIT, a new trilinear decomposition tool for spectral un-mixing in hyphenated chromatography that accounts for peak shifting in elution profiles sample-to-sample. The ALS_SIT command line tool includes the shift invariant trilinearity (SIT) and shift invariant soft trilinearity (SIST) algorithms.
A PDF of the presentation along with a Matlab live script can be downloaded here
Table of Contents
00:03 – Introduction to Shift Invariant Trilinearity (SIT) for Spectral Unmixing in LC/GC-MS
02:28 – Core Problem: Blind Source Separation and Spectral Unmixing Challenges
06:20 – Data Modeling Approaches and Limitations
12:30 – The Shift Invariant Trilinearity (SIT) Model
17:01 – Summary and Performance of SIT
22:15 – Practical Implementation and Advanced Considerations
34:00 – Q&A and Further Discussion
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