rNMR

Version: 1.1.9

Website

http://rnmr.nmrfam.wisc.edu/

Description

Designed for analysis 1D and 2D NMR spectra using a ROIs based approach (which contain all of the underlying NMR data), rather than the traditional peak lists. ROI can be visually inspected to help aid accurate quantification. It contains a convert function, which will convert raw NMR files into a format that rNMR can analyse. It contains 3 automatic peak picking buttons: Full, Region and ROI. The produced peak lists can then be directly exported to MMCD or uploaded to BMRB for identification.

Functionality

• Preprocessing

Instrument Data Type

• NMR/1D NMR
• NMR/2D NMR

Approaches

Computer Skills

Advanced

Software Type

Package

Interface

Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

R

Dependencies

R (≥ 2.10.0)

Input Formats - Open

UCSF (sparky)

Input Formats - Proprietary

N/A

Published

2011

Last Updated

2015

License

GPL-3

Paper

http://www.ncbi.nlm.nih.gov/pubmed/19821464

PMID

19821464