Spectra Studio Software by Symyx

Spectra Studio™ is designed to save users time by providing a number of clustering algorithms to automatically group similar spectra. Visualization and manipulation tools allow users to review the clustering results, manually manipulate group assignments and save the results for later retrieval and comparison with other experimental data.

Automated Clustering

• Load spectra spanning multiple experiments and multiple libraries from the database and sort into clusters.
• Sort using algorithms based on comparing raw data, peak centers, peak overlaps and first derivatives.
• Determine representative spectra during sorting; predefined representatives can be assigned, but are not required.
• Enable multiple spectra preprocessing options, including smoothing data and restricting the sort to specific regions of interest, and establishing criteria for identifying questionable or invalid spectra.

Visualization

• Analyze spectra in multiple views, including: clustered bins, library-based layout, or as an overlay of the selected spectra.
• View dendrograms depicting inter-group separation based on the correlation coefficient at which groups would merge.

Manual Manipulation and Grouping

• Refine existing groups and merge members of a group by a rapid “slide show” inspection of each group or representative.

Save the definition and membership of groups to the Symyx Vault database for later retrieval once groups have be automatically or manually assigned.