XSpectra is a graphical tool originally designed for the estimation of protein secondary structure from Raman and FTIR spectra using a least squares fit of the unknown with the spectra of proteins with known secondary structure, and for the control of Spex spectrometers. Since then it has become a general tool for manipulating vibrational spectra, subtracting background, calculating difference spectra, smoothing, finding peaks, taking second and fourth derivatives, and at one point could compute a fourier transform. A few bugs have crept in as changes have been added and subtracted, but for the most part it works as is.

Source Code

Get the source code here. The Gnu Public License II applies.


More screenshots