Chifit

• Chifit directly extracts frequency and amplitude parameters from spectra of any dimensionality by fitting the absorption spectrum of the acquired data to the absorption spectrum of an analytical n-dimensional FID - no prior peak picking is required.
• Chifit provides a completely automated pathway for signal recognition and parameter estimation of n-dimensional NMR experiments, starting with only an absorption spectrum and knowledge of the appropriate window functions.
• Chifit's graphical interface can be completely controlled from dynamically executed scripts using the Python computer language. The absorption spectrum, model, residual, and components of the signal model can be viewed grahpically as 1D slices through any dimension.
• Chifit can be used to follow the progression of several amplitudes throughout the course of a titration or to quantify the effect of mixing time on the amplitudes of signals in a series of NOE spectra.
• Chifit results can be exported as ASCII files which are compatible with a typical "spreadsheet" format.

Academic Origin

Chifit was developed by Drs. John Markley and Roger Chylla at the National Magnetic Resonance Facility located at the University of Wisconsin-Madison. All rights, title, and interest in Chifit are owned by the Wisconsin Alumni Research Foundation ("WARF"). The commercial version of Chifit has been exclusively licensed to Spectrum Reseach LLC by WARF.

Hardware Requirements

• Silicon Graphics workstations (Irix 5.x & 6.x)

References

1. Chylla, R.A. and Markley, J.L. "Theory and Application of the Maximum Likelihood Principle to NMR Parameter Estimation of Multidimensional NMR Data", J. Biomolecular NMR 5: 245-258 (1995).