Use of python for visualization and processing of NMR spectra

Vol. 2 2023 - 162529
Invited Lecturer
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Abstract

Solutions/scripts will be presented using Python and PHP languages ​​that can facilitate and make our research cheaper, avoiding the acquisition of commercial software. These solutions/scripts can be easily shared and adapted for any research group. With the use of these languages ​​it is possible to perform very simple operations such as processing, visualizing and printing a 1D spectrum or two-dimensional spectra and their projections. In addition, more complex methods such as multivariate analysis (PCA), spectral alignment or obtaining kinetic data and electronic scheduling of NMR spectra will also be presented.

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Institutions
  • 1 Universidade Federal do Rio de Janeiro
Track
  • Metabolomics
Keywords
python on nmr; nmrglue; PCA