Import Data in the JCAMP-DX Format

Import data written in the JCAMP-DX format. This is an instrument-independent format used in the field of spectroscopy. Examples include IR, NMR, and Raman spectroscopy. See the vignette for background and supported formats. The official JCAMP-DX site is < http://www.jcamp-dx.org/>.


News

NEWS file for package readJDX Import data in the JCAMP-DX format. URL: github.com/bryanhanson/readJDX

Changes in version 0.3.250 2018-10--15 + Checked against R devel r75432 which is R 3.5.1 patched. + README.md updated. + Checked against testbank. + ORCID added to DESCRIPTION. + Minor update to the vignette.

Changes in version 0.3.248 2018-08-24 + Checked against R devel r75161 which is R 3.5.1 patched.

Changes in version 0.3.247 2018-06-30 + Rebuilt how duplicates are handled, so that S2, which is a valid DUP string = 12, is handled correctly.

Changes in version 0.3.215 2017-01-24 + Improvements to vignette and documentation. + Improvements to the debugging output options.

Changes in version 0.3.194 2017-01-23 + Return structure now includes the comment only lines found outside of the metadata. + Much more robust handling of comments. + All test files seem to work. + Still a lot of polishing needed.

Changes in version 0.3.103 2017-01-13 + Return structure now includes a data guide giving the lines where each piece of the file was parsed (improves error reporting, but needs further tweaking). + Will now read 2D NMR spectra in NTUPLES format (at least in the only case I have available right now). + Updated vignette to pinp style.

Changes in version 0.2.1 2016-12-21 + Fixed issue #3, problem with x values not having the correct absolute value. Reported by Rustam. + Added checks for FIRSTX, LASTX. + Added PCRF.JDX, SBO.JDX and SBO.JDX to inst/extdata for example purposes. + Internal tolerance checking was made more precise. + Switched to using separate x and y tolerances internally.

Changes in version 0.1.32 2016-10-21 + findDataTable renamed to findDataTables to better reflect what it does. + Added an argument SOFC with default TRUE. SOFC = stop on failed check. As currently implemented, it skips the FIRSTY check. Suggested by Rustam as some JCAMP writers do not put FIRSTY into the file. + Many additions to the decompression code based on additional testing, which uncovered some previously unseen issues. There are still some files that won't process; these will require time to troubleshoot.

Changes in version 0.1.0 2016-08-19 + First draft of package. Works on a wide variety of example files. + First release to GitHub.

Reference manual

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install.packages("readJDX")

0.3.250 by Bryan A. Hanson, 6 months ago


https://github.com/bryanhanson/readJDX


Report a bug at https://github.com/bryanhanson/readJDX/issues


Browse source code at https://github.com/cran/readJDX


Authors: Bryan A. Hanson [aut, cre]


Documentation:   PDF Manual  


GPL (>= 3) license


Imports stringr

Suggests knitr


Imported by specmine.

Suggested by ChemoSpec.


See at CRAN