Simultaneous Quantification of Paracetamol and Caffeine in Powder Blends for Tableting by NIR-Chemometry

Table 3

Statistical parameters and number of PLS factors for different models proposed for paracetamol and caffeine assays in powder blends.

Paracetamol
Model	a	b	c	d	e	f	g	h	i	j	k
Pretreatment	None	COE	SLS	SNV	mMN	MSC	FD	SD	FS+SLS	FD+SVN	FD+MSC
Spectral range; selected (cm^−1)	9000-4000
Number of PLS factors	2	5	6	5	5	5	5	5	5	3	3
R^2	0.978	0.997	0.997	0.997	0.998	0.998	0.997	0.997	0.997	0.998	0.997
RMSECV (%)	0.966	0.334	0.311	0.274	0.261	0.259	0.328	0.363	0.326	0.302	0.337
Bias (%)	−0.0075	0.00088	0.00055	0.00044	−0.0029	0.00047	−0.0093	0.0010	−0.0039	0.0098	0.0048
Caffeine
Model	a	b	c	d	e	f	g	h	i	J	k
Pretreatment	None	COE	SLS	SNV	mMN	MSC	FD	SD	FS+SLS	FD+SVN	FD+MSC
Spectral range; selected (cm^−1)	6200-4100
Number of PLS factors	14	14	12	11	11	11	10	8	11	9	9
R^2	0.958	0.96	0.962	0.958	0.941	0.945	0.946	0.881	0.952	0.939	0.940
RMSEP	0.137	0.132	0.131	0.137	0.163	0.156	0.155	0.23	0.146	0.165	0.164
Bias (%)	−0.0019	−0.0020	−0.0085	−0.0036	−0.0061	−0.0054	−0.0046	−0.0029	−0.0029	−0.00407	−0.0045

Selected model for validation of the methods.