readJDX Overhaul
R
readJDX
Data Formats
Improvements to readJDX
readJDX reads files in the JCAMP-DX format used in the field of spectroscopy. A recent overhaul has made it much more robust, and as such the version is now at 0.4.29.1 Most of the changes were internal, but three important user-facing changes are:
- improved documentation
- the addition of more vignettes
- improved output when
debug > 0 - 2D NMR files are now handled
You can see more about the package here. As always, if you use the package and have troubles, please file an issue. The JCAMP-DX standard is challenging and vendors have a lot of flexibility, so please do share any problematic files you encounter.
Footnotes
The current version also includes changes in an unreleased version (0.3.372) in which several bugs were squashed.↩︎
Reuse
Citation
BibTeX citation:
@online{hanson2020,
author = {Hanson, Bryan},
title = {readJDX {Overhaul}},
date = {2020-01-02},
url = {http://chemospec.org/posts/2020-01-02-readJDX-update/2020-01-02-readJDX-update.html},
langid = {en}
}
For attribution, please cite this work as:
Hanson, Bryan. 2020. “readJDX Overhaul.” January 2, 2020.
http://chemospec.org/posts/2020-01-02-readJDX-update/2020-01-02-readJDX-update.html.