IFPAC 2023 – The Multiverse of Challenges for Spectral Libraries

IFPAC 2023 Conference Short Course and Paper

Time to be announced
Bethesda North Marriott Hotel and Conference Center

Presented by:
Brian Rohrback, Ph.D., MBA, President, Infometrix, Inc.


There are challenges when considering application-specific libraries of optical spectra. For most quality control applications in industry, there is no standard set of spectra available as the process is typically tied to a set of (unique) analytes mixed in various proportions. Add in changes from ingredient suppliers, seasonal variations, and changes in unit operation, there is not a pinpoint target for assessing quality. Luckily, we have more than a half century of processing data like this using chemometrics and the newer moniker machine learning. But handling process libraries is not just a simple application of an appropriate algorithm; there are challenges that need to be considered in all aspects of sample collection, handling instrument drift, and ensuring consistency across all operators. An outline of best practices needs to include how to match laboratory reference data to spectral data, an unbiased mechanism for selecting validation samples, an optimal mechanism for model construction, establishing standards for quality reports, tracking model performance over time, handling process or ingredient transitions, and much more. A systematic approach to building, maintaining, and benefiting from an application-specific spectral library is presented as part of the USP effort to establish appropriate standard practices.

Register at www.IFPACglobal.org/attendee-registration.

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