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ChemoSpec (version 4.3.34)

readJDX: Read and process a JCAMP-DX file.

Description

This function reads files with the JCAMP-DX format (and extension .dx). This function is not extensively tested. It does not work with NMR data. Not normally called by the user; used by files2SpectraObject.

Usage

readJDX(file = "", debug = FALSE)

Arguments

file
Character; the path to the file to be processed.
debug
Logical indicating if file names and progress information should be printed to the console. Useful for troubleshooting.

Value

A data frame with the following elements:
x
Extracted frequency values
y
Extracted intensities

Details

The data block must be of the type XYDATA=(X++(Y..Y)) It handles AFFN format for the data block and only with '+', '-' or ' ' as the separator.

References

The details of the JCAMP-DX formats can be found at at http://www.jcamp-dx.org/

https://github.com/bryanhanson/ChemoSpec