Impact of the pretreatment of ATR-FTIR signals on the figures of merit when PLS is used

摘要

The efficiency of the analytical methods based on vibrational spectroscopy has been widely verified in a high number of publications. In addition, it has been recognized that the pretreatment of the original signals is absolutely necessary to obtain enough quality in the subsequent classification and/or regression models. In fact, an inappropriate pretreatment makes the results worse. It is also impossible to give "a priori" rules that guarantee the adequacy of a pretreatment for specific data.