Detection of Cyanuric Acid and Melamine in Infant Formula Powders by Mid-FTIR Spectroscopy and Multivariate Analysis

Table 1

Calibration and validation data of the models developed with PCR, PLS1, and PLS2 algorithms to predict melamine and cyanuric acid concentration in infant formula powder.

Calibration set	Algorithm	Calibration			Validation
		Number of factors		SEC		SEP
Infant formula-melamine	PCR	9	0.9401	2.8840	--	---
	PLS1	10	0.9998	0.0793	0.9996	0.5545
	PLS2	14	0.9969	0.3459	--	---
Infant formula-cyanuric acid	PCR	12	0.7960	3.1960	---	---
	PLS1	6	0.9997	0.1074	0.9997	0.5021
	PLS2	14	0.9993	0.1496	--	---

set was prepared ranging from 0.5 to 20 µg/L. number of factors. of determination should be as close to 1 as possible. Error of Calibration (SEC) should be as low as possible. Error of Prediction (SEP) should be as low as possible. Note. The best model is shown in italics and bold type.