Applications of the Whittaker smoother in NMR spectroscopy
| Title: | Applications of the Whittaker smoother in NMR spectroscopy |
| Authors: | Carlos Cobas |
| Date: | First published – May 2018 |
| Reference: | Magnetic Resonance in Chemistry 56 (12) |
| DOI: | 10.1002/mrc.4747 |
| Download link: | https://onlinelibrary.wiley.com/doi/abs/10.1002/mrc.4747 |
ABSTRACT
The Whittaker smoother, a special case of penalized least square, is a multipurpose algorithm that has proven to be very useful in many scientific fields, including image processing, chromatography, and optical spectroscopy. It shares many similarities with the Savitzky–Golay algorithm, but it is significantly faster and easier to automate. Its use in nuclear magnetic resonance, however, is not widespread although several applications have recently been published. In this review, the mathematical background of the method and its main applications in nuclear magnetic resonance spectroscopy will be discussed.
Related posts
In vivo NMR is evolving into an important tool to understand biological processes and environmental responses. Current approaches use flow systems to sustain the organisms with oxygenated water and food (e.g., algae) inside the NMR.
Spectroscopic techniques, particularly NMR, frequently encounter the challenge of overlapping peaks. Thus, the need to enhance the resolution of such spectra has been the subject of extensive research for decades
Play FID is a new tool included within the latest version of Mnova 15.0.1. The purpose of Play FID is to provide an auditory representation of NMR data, enhancing the interpretation and understanding of NMR spectra.