Interactively Select Regions for Analysis
Many operations may require specific regions to be identified in the spectra. Tools are available for adding, adjusting, splitting and clearing spectral regions.
Adjust Offsets and Scale
Spectra will often need to be adjusted for variation in frequency position and scaling. Any peak in the spectrum can be chosen and all spectra will be aligned. One or more regions can be selected and then the integral or median value of the region used to scale each spectrum relative to a selected spectrum. Spectra can also be explicitly scaled by values in the data table, for example, to scale by known urine volume.
Math and Statistics
An extensive library of mathematical and statistical procedures are included within dataChord Spectrum Miner. These libraries can be used to conveniently do various analyses on the spectral data. Methods included in our Graphical User Interface include Principle Component Analysis, sparse Non-Negative Matrix Factorization, and Covariance analysis. The results of these analysis, as well as simpler calculations such as integrals, are all available within interactive tables and graphs.
Math on Tabular Data
Mathematical calculations can be done on values in the columns of the data table. For example, extracted integral values in one column could be scaled by urine volumes in another column to give molar quantities of a compound.