Workflow for chromatogram alignment using the semi-parametric time warping algorithm

Workflow for chromatogram alignment using the semi-parametric time warping algorithm

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.