Isotopic Pattern Calculator 1.4

IPC is a program that calculates the isotopic distribution of a given chemical formula. It gives the rel. intensities and the propability of the masses belonging to a molecule ion, fragment or whatever is represented by the given chemical formula.
Furthernmore it can use GNUPlot to visualize the result. Only masses with a rel. Intensity bigger then 0.009% are shown. Additionaly ipc prints the overall number of peaks and the needed computation time.
The program uses an algorithm which computes the exact isotopic distribution. This leads to a large number of peaks which have very low rel. abundances. Even for a small molecule as Acetylsalicylic acid ( C9H8O4, Mr=180.15) there are 1350 peaks but only nine of them have a rel. abundance higher then 0.01%.
Enhancements:
- A complete list of elements and isotopes is now used.
- The list of elements is taken from the NIST.