Battelle Memorial Institute

Spencer A Prost

Kevin L Crowell

Yehia M Ibrahim

Sandilya Garimella

A method of validating data produced from a multiplexing process on an analytical instrument is disclosed. In one embodiment, the method includes using a pseudorandom sequence to encode a multiplexed segment of data; applying Hadamard transform to generate a demultiplexed segment of the data; aligning the pseudorandom sequence to the multiplexed data; and calculating a score for at least one positive value in the demultiplexed segment to find a valid demultiplexed value.

Methods of resolving artifacts in Hadamard-transformed data

Apparatus and methods are disclosed for processing data transformed according to an invertible transform (e.g., using a Hadamard transform) multiplexing scheme. In one example of the disclosed technology, a computer-implemented method includes generating transformed data by applying a Hadamard transform to intensity data generated by modulating input of analytes into a mass spectrometer according to a pseudorandom sequence (PRS). The exemplary method further includes identifying at least one pair of symmetric intensity peaks in the transformed data based on the PRS and removing data associated with the pair of symmetric peaks from the transformed data to produce modified data, which can be used to identify, characterize, and/or quantify the composition of the sample. In some examples, the exemplary method further includes validating peaks in the transformed data based on comparing the location of peaks in the untransformed intensity data.

Described herein are examples of systems and methods for integrating IMS and MS systems. In certain examples, systems and methods for decoding double multiplexed data are described. The systems and methods can also perform multiple refining procedures in order to minimize the demultiplexing artifacts. The systems and methods can be used, for example, for the analysis of proteomic and petroleum samples, where the integration of IMS and high mass resolution are used for accurate assignment of molecular formulae.

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Richland, WA, United States of America

Spencer A Prost