Save Peaks and Reps

In addition to the previously described functions for the Save Report button, the fit report data block nrstpl is added to the original spectrum. 

Once a suitable model has been found it can be applied to other spectra of the same kind there is no need to setup a new model for each spectrum. The spectra to be analyzed must be selected into the top window. 

The fit report block of the already fitted spectrum is then dragged into the second box. Clicking onto Fit starts the Curve Fitting of all spectra with the selected method. 

---

Consider the MIR spectrum of carbon tetrachloride (M1R TETRA) that exhibits a spectral feature of two overlapping bands at about 780 cm . Choose the suitable spectral range, check Save Single Peaks Too, start the interactive mode and enter two curves initially. Then the curve fit set-up window could look like that shown in Fig. 11.3. For better initial parameter values add a baseline and alter the shape of both curves to a fifty fifty mixture of Lorentzian and Gaussian functions. Follow the same steps as mentioned above and you will find that the fitting procedure converges after a very short time. The result is shown in Fig. 11.4. By clicking on the button Save Peaks and Reps you can save the fit report and every fitted peak will be stored as a separate file named FIT. 

---