INFIT

Coupling constants from inverse Fourier transformation of in-phase multiplets

INFIT (© by Peter Güntert) is a program to determine scalar coupling constants from in-phase multiplets. The scalar coupling constants are extracted from the in-phase multiplets by inverse Fourier transformation of the data points representing one or several cross peaks and a non-linear least-squares fitting procedure.

Availability

• INFIT is available free-of-charge. The current version is INFIT 2.0.

References

• Szyperski, T., Güntert, P., Otting, G. & Wüthrich, K. Determination of scalar coupling constants by inverse Fourier transformation of in-phase multiplets. J. Magn. Reson. 99, 552-560 (1992).

Any reports or publications of results obtained with GARANT must cite this paper.