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Alignment

Michael T. Judge edited this page Feb 17, 2020 · 15 revisions

The exact locations of NMR peaks can change with various chemical factors and matrix effects, such as changes in pH or metal ion content. As such, peaks don't line up exactly. This complicates the quantification process. Fortunately, several methods exist for aligning the same peaks across different spectra, and we utilize several of these in our toolbox. They can be grouped into three categories of algorithms:

Star Methods Has the options: CCOW PAFFT RAFFT ICOSHIFT PARCCOW

HCA-based (HATS-like) Methods Has the options: PAFFT RAFFT ICOSHIFT CCOW

Multi-Align Workflow (combined methods)

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