TiPeaks 3.0 is the sucessor to TiPeaks 2.0. Lots of new functionalities has been added.
- Derivative analysis. I developped a program that compute the first and second derivative of the signal. This allows to detect peaks (local maxima) and even shoulder peaks thanks to inflexion points. The space between two consecutive inflexion points (concave to convexe/ convexe to concave) is taken as a first guess of width, and first guess of height is set according to intensity value at the found position. With this strong way to set a first guess, the convergence of the program is hugely improved, and most the time only one fit is sufficient. This functionality is also optimised for gaussian fits.
The user can also remove and add peaks and set the value of halfwidth wich can be sometimes overestimated.
- PeakFit_IR : the fitting function was completely rewritten by myself as an attempt to optimize it for IR spectra. The function use now a first guess defined by user or per derivative analysis with three components (position, half width and height).
- Manual fit tool. One of the important new tool is the capability for user to produce a fit by setting peaks and adjusting position, height and width of each peak.
- Improved Fluid Inclusion Correction. It is possible for user to modelise the fluid inclusions by a broad gaussian and automatically substract that peaks from the measured spectrum.
- Optimisation and fluidity: by a system of update-plot functions every correction are done in live; no need to refresh.
For more details about how works this program, please consult the user guide.
Please note that this version is new and hasn’t been tested on various spectra. Update will come this spring 2018.