fileFolder {rNMR}R Documentation

rNMR object fileFolder


The fileFolder object stores the file and graphics parameters for all open spectra as a nested list.


The majority of rNMR's functions interact directly with fileFolder any time a modification is made to a currently opened spectrum. fileFolder is structured as a nested list, containing up to six sections with identical fields for each opened spectrum. Each section is a named list.

The first section, file.par contains information pertaining to the spectrum itself. Most of this information is taken directly from the spectrum's ucsf format file header (see ucsfHead).

The graphics.par section contains the current graphics and plot settings for the spectrum. This is identical in structure to defaultSettings. See setGraphics for information on these parameters and how to alter them.

The w1, w2, and data sections are not normally present in fileFolder and must be added manually. w1 and w2 are numeric vectors containing the chemical shifts for the spectrum, in increasing order. The data section is a matrix containing the transposed data (intensities) for the spectrum. These values match the w1, w2, and data values returned by ed. If all three of these sections are present, rNMR will plot the spectrum from fileFolder instead of plotting from the spectrum's ucsf file.

The last section, peak.list, will only be present for peak picked spectra (see pp for information on peak picking and import for information on peak list structure.).


Ian A. Lewis, Seth C. Schommer

See Also

rNMRobjects for other other objects used by the rNMR package; rNMRutils for functions used for interacting with rNMR objects.

[Package rNMR version 1.1.9 Index]