In dieser Arbeit sollen eine GUI (graphical user interface) und Methoden zur Parameter-Optimierung implementiert werden, um Wissenschaftlern den Einsatz von OpenMS im Wet-Lab erleichtern.
One of the first steps in the analysis of mass spectrometry data is to search for peaks in the raw spectrum data acquired by the instrument. This process is called peak picking. A common difficulty with peak picking algorithms is that they may depend on reasonable settings for certain parameters which are sometimes hard to find without user interference.
(*): This will probably involve design and implementation of a GUI, which aids in the manual annotation of reference signals. The TOPPView application implemented in OpenMS can be extended to support this. TOPPView is implemented using the Qt library (http://trolltech.com/products).Our work on peak picking in OpenMS is based on a decomposition of the raw signal into components which live on different scales, i.e. slowly changing baseline, high-frequency noise, and in between we expect the proper signal caused by the interesting chemical compounds in the sample.
The allocated time is 6 month total.
|0 - 1||literature search and reading, write outline of thesis|
|2 - 4||implementation, testing|