On the Scales Associated with Near-Infrared Reflectance Difference Spectra

Abstract

Scale differences of individual near-infrared spectra are identified when set-independent standard normal variate (SNV) and de-trend (DT) transformations are applied in either SNV followed by DT or DT then SNV order. The relationship of set-dependent multiplicative scatter correction (MSC) to SNV is also referred to. A simple correction factor is proposed to convert derived spectra from one order to the other. It is suggested that the suitable order for the study of changes using difference spectra (when removing baselines) should be DT followed by SNV, which leads to all derived spectra on the scale of mean zero and variance equal to one. If baselines are identical, then SNV scale spectra can be used to calculate differences.