Read in Standard Reference CompoundsSpectra of reference compounds can be imported in several different ways. In client-server mode reference spectra can be fetched from the server. Alternatively spectral data can be read from text files generated by dataChord or loaded from Bruker SBase files.
Fit Standards by Position and ScaleReference spectra can be loaded into memory and aligned with the current experimental spectrum. Reference spectra are typically separated into signal containing regions. Each region can be independently aligned with the experimental data. Our automated alignment procedure will scan each signal region aover a specified range of points. At each position the baseline and scale is optimized to minimize the absolute value of the deviation of the reference and experimental data points. If a reference and experimental standard (DSS) signal are available and of known concentration then the absolute concentration of the compound can be calculated. Scanning can be done automatically across a whole set of spectra.
Setup Compounds as StandardsTools are available to convert any experimental spectrum of a reference compound into the library format, including automated segmentation into signal containing regions.