Spectromania

Spectromania 1.0 RC1

The human eye has an extraordinary ability to perceive huge...

The human eye has an extraordinary ability to perceive huge amounts of data (approx. 10 Mill. bit). The human brain is specialized to process visual data in an efficient way.

Consequently visualization of data is very useful to support the process of knowledge extraction from complex data structures. Spectromania enables the scientist to reveal information hidden in datasets in an easy and convenient way.

Mining or analysis of data obtained by mass spectrometry to unravel relevant information can be done by a plethora of software tools. These tools mainly rely on extracted signal intensities from pre-defined peaks and normally do not use the entire information present in a mass spectrum.

Furthermore relations between peaks in different spectra are often hard to recognize due to the diverse nature of these relations (e. g. mass shifts or adducts).

However the result of data mining procedures has to be interpreted at the end with mass spectrometric expertise. Spectromania enables the scientist to reveal information hidden in datasets in an easy and convenient way.

Spectromania converts each mass spectrometric file into a gel-like view. The intensity is depicted as a shade of color. The visualization helps to assess multi-dimensional data.

Spectromania allows to group or align mass spectra. These spectra are normally derived from samples separated by chromatographic methods. It is possible to visualize either mass spectra derived from the very same sample or mass spectra derived from different samples but the same fraction(s).

This offers the opportunity to compare data based on a fraction model or based on the entire sample. An integrated database and multiple data analysis tools facilitate processing of large amount of data.

The interactive approach, the conjunction with experimental variables and the possibility to perform statistical calculation allows to assess mass spectrometric data in a completely new way.