ed {rNMR}R Documentation

Extract data from rNMR


Displays a list of data stored during an rNMR session (including spectral data, ROI tables, ROI summaries, and peak lists) and returns the selected item. The "Main plot window" option collects data from the main plot window (the current spectrum). The "Slice" option returns a 1D slice of the current 2D plot. These two options are meant as a convenience for advanced rNMR users and developers. The "ROI table", "ROI summary", and "Peak list" options return the corresponding data in a format that can be viewed or used for statistical analysis within R.




The "Main plot window" and "Slice" options return a list containing:


Header information for the spectrum including file name, nuclei, number of dimensions, spectrum width, etc.


Chemical shifts in the indirect dimension.


Chemical shifts in the direct dimension.


The data from the spectrum, as a matrix of intensities for 2D spectra or a vector for 1D slices and plots. The first data point in a matrix of 2D intensities, [1, 1], corresponds to the downfield-most point, in both dimensions, for the spectrum. The last data point in the matrix corresponds to the upfield-most point, in both dimensions, for the spectrum. In other words, if you traverse the matrix by rows, data points in the matrix start at the bottom-left of the spectrum and move up and to the right (as the spectrum would normally be viewed). See import for details on the contents of the ROI table, ROI summary, and peak list objects.


Ian A. Lewis ialewis@nmrfam.wisc.edu, Seth C. Schommer schommer@nmrfam.wisc.edu

See Also

import for importing/exporting peak lists, ROI tables, and ROI summaries; pp for generating peak lists; roi for generating ROI tables; rSum for generating ROI summaries; rNMR for other rNMR help topics.

[Package rNMR version 1.1.9 Index]