Isotopic Pattern Calculator

How to add elements to IPC?

The list of known isotopes is unpleasently long. And I was too lazy to put in all known elements, but I it is easy to add the missing. So if you need an element which is not in the list don't become desperate. Every time ipc is called it reads a file called elemente which contains for every element its chemical symbol its isotopes and their probabilities. This file ist installed to $PREFIX/share/[ipc|gips]. IPC and GIPS keep seperate lists of elements. Thus, for ipc this file defaults to /usr/local/share/ipc/elemente

The entries in the file have the following form:

< chemical symbol >
<mass 1st isotope> <probability of 1st isotope >
<mass 2nd isotope> <probability of 2nd isotope>
. .
<mass last isotope> <probability of last isotope>

If an element you need is not present in this file you can add this element by adding an entry like shown above. Next time you start ipc the parser will recognize the added element with the <chemical symbol> you put in. The chemical symbol must start with an upper case letter. It is highly recommended to give the isotopes in ascending order.

GIPS uses a list with the same synthax, so adding an element for GIPS works accordingly. The files defaults to /usr/local/share/gips/elemente.

If you encounter problems or if you have an extended list or want some elements to appear in the "official" list just leave me a note.