In this workflow, the semi-parametric time warping (STW) algorithm is used to align the TIC of two or more chromatograms. Several options are available to the user, including a linear shift to align the maximum peak in each chromatogram before aligning the whole chromatogram with the STW algorithm, a choice between pairwise alignment of all chromatograms to one reference chromatogram or applying a single alignment function calculated from two chromatograms to a set of chromatograms, and a TIC alignment based on alignment of MS traces.
Further clarification of the STW algorithm and workflow components are given in the readme.txt file included in this submission.
Christina de Bruyn Kops (2022). Workflow for chromatogram alignment using the semi-parametric time warping algorithm (https://www.mathworks.com/matlabcentral/fileexchange/50591-workflow-for-chromatogram-alignment-using-the-semi-parametric-time-warping-algorithm), MATLAB Central File Exchange. Retrieved .
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