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NOW COMPILED FOR USERS WITHOUT A MATLAB LICENSE! Download INFOS_comp_***.zip.
INFOS is a set of programs for fitting NMR spectra in MATLAB. INFOS improves on existing methods by calculating peak shapes using acquisition and processing parameters, therefore leading to better fits. Additionally, INFOS can determine the peak list for fitting, by using iterative refinement of the list in order to improve the fit without overfitting. INFOS also can be used to analyze error of fit parameters, can fit series of NMR spectra to user-defined functions, and can be used interactively for 2D spectra.
Based on: Smith, A. A. (2017) INFOS: Spectrum Fitting Software for NMR analysis. J. Biomol. NMR. DOI: http://doi.org/10.1007/s10858-016-0085-2
Contact: alsi-nmr@users.sourceforge.net
Please contact me if you have any problems. Also- I would like to expand the import capabilities (currently supports Bruker, NMRPipe), but need some test spectra- so let me know if you can help.
Features
- Fit n-dimensional spectra
- Calculate lineshapes using acquisition and processing parameters
- Iteratively determine the peak list
- Characterize spectrum noise
- Optimize fitting settings
- Analyze fit parameter error
- Fit user-defined functions to series of spectra
- Parallel processing
- Spectrum editing functions
- Displace of 2D and 3D spectra
- Interactive 2D fitting
Project Samples
