Real-time two-dimensional wavelet compression and its application to real-time modeling of ion mobility data

Abstract

Real-time data analysis is important in many applications. However, many chemometric algorithms have difficulty processing data in real-time. A novel real-time two-dimensional wavelet compression (WC 2) has been developed to compress data as it is acquired from analytical instrumentation. The WC algorithm was enhanced so that data with an arbitrary number of points were compressed, and truncation or padding to a dyadic number was avoided. After compression, the noise level is reduced while useful chemical information is retained. A modified simple-to-use interactive self-modeling mixture analysis (SIMPLISMA) algorithm was applied to the wavelet-compressed data and the model was transformed back to the original representation while leaving the data compressed. The reduced size of the wavelet-compressed data furnished a faster implementation of SIMPLISMA that facilitates real-time acquisition. This real-time WC 2-SIMPLISMA algorithm was applied to the rapid identification of explosives by ion mobility spectrometry (IMS). SIMPLISMA resolved concentration profiles and component spectra were displayed simultaneously while the data was acquired from an ion mobility spectrometer with a LabVIEW virtual instrument (VI).