diff options
Diffstat (limited to 'science/ipc/DETAILS')
| -rwxr-xr-x | science/ipc/DETAILS | 13 |
1 files changed, 11 insertions, 2 deletions
diff --git a/science/ipc/DETAILS b/science/ipc/DETAILS index 93807b19b9..94a0f4318f 100755 --- a/science/ipc/DETAILS +++ b/science/ipc/DETAILS @@ -11,7 +11,16 @@ SOURCE_DIRECTORY=$BUILD_DIRECTORY/$SPELL-$VERSION KEYWORDS="chemical science" SHORT=" IPC is a program that calculates the isotopic distribution of a given chemical formula" cat << EOF -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. +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%. +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%. EOF |