CheD is the best selection to monitor spectral databases

ir_sp.bmp (44110 bytes)CheD is ideal instrument to create and store spectral information. The spectrum is stored as two dimensional array, which is exposured as spectral curve, peak diagram (mass-spectrum) or two dimensional table. Scrolling, zooming of spectra and cursor are available in real time. Several spectra can be displayed simultaneously. Spectrum subtraction is available with succeeding storage of result of subtraction.

CheD is suitable to create and store databases, in which data field can be assigned to the atom or group of atoms. As an example 13C NMR database can be considered, in which chemical shift is assigned to atom, and spin-spin coupling constants is assigned to pare of atoms. Assigned properties can be analyzed using statistical algorithm to create teached database of fragments. It can be used further to predict properties of unknown molecule.

as_nmr.bmp (45910 bytes)