title: Comparison of methods for transfer of calibration models in near-infared spectroscopy: a case study based on correcting path length differences using fiber-optic transmittance probes in in-line near-infrared spectroscopy.
abstract: This article addresses problems related to transfer of calibration models due to variations in distance between the transmittance fiber-optic probes. The data have been generated using a mixture design and measured at five different probe distances. A number of techniques reported in the literature have been compared. These include multiplicative scatter correction (MSC), path length correction (PLC), finite impulse response (FIR), orthogonal signal correction (OSC), piecewise direct standardization (PDS), and robust calibration. The quality of the predictions was expressed in terms of root mean square error of prediction (RMSEP). Robust calibration gave good calibration transfer results, while the other methods did not give acceptable results.
authors.affiliation: Mills DA, Research and Development, Sofienberggt. 19, P.O. Box 4644 Sof., N-0506 Oslo, Norway. narinder.singh@2ci.net
authors.forename: Narinder Singh
authors.initials: NS
authors.lastname: Sahni
authors.forename: Tomas
authors.initials: T
authors.lastname: Isaksson
authors.forename: Tormod
authors.initials: T
authors.lastname: Naes
mesh_terms: D000465:Algorithms; D002138:Calibration / Q000592:standards; D002241:Carbohydrates / Q000032:analysis* / Q000737:chemistry / Q000592:standards*; D003198:Computer Simulation; D003199:Computer Systems; D005062:European Union; D005336:Fiber Optic Technology / Q000295:instrumentation* / Q000592:standards; D008956:Models, Chemical; D055100:Optical Fibers; D012015:Reference Standards; D012016:Reference Values; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D013055:Spectrophotometry, Infrared / Q000295:instrumentation* / Q000379:methods / Q000592:standards*; D014159:Transducers
chemical_list: D002241:Carbohydrates