ATR-FTIR Identification using Spectral Library Databases
With the help of the three IR spectral libraries of General Library IR (350 spectra), SWGDRUG IR library-31 May 2018 (503 spectra) and Demo Library (200 spectra), all experimental FTIR spectra were successfully identified after spectral library search. The spectral matching operation was performed by software algorithm (standard search algorithm) with one main component mode in OPUS (Bruker).
Steps to reproduce
For spectral library search, OPUS was used with a standard search algorithm for one main component. The value for hit quality and maximum number of hits are 100 and 30, respectively. The value for the maximum hit quality is shown after each search.