TABLE 3.

Performance of final pairwise classifiers on a training and validation set of NMR spectra from cell suspensions of Candida spp.^a

Pairwise classifiers	Chemical shift range (ppm)	Training data set			Validation data set			Indeterminate sample	No. (%) of isolates with indeterminate classification for:
		No. of isolates	Sensitivity (%)	Specificity (%)	No. of isolates	Sensitivity (%)	Specificity (%)		Training data set	Validation data set
C.alb vs C.glab	2.18-2.25; 3.72-3.79	102:93	100	100	33:26	100	100	C.alb	3 (3)	0 (0)
C.alb vs C.krus	1.62-1.77; 3.70-3.73	102:79	100	100	33:21	100	100	C.glab	4 (4)	0 (0)
C.alb vs C.para	1.52-1.58; 2.17-2.24	102:95	100	100	33:27	97	100	C.krus	3 (3)	1 (5)
C.alb vs C.trop	1.48-1.58; 2.97-3.14	102:73	100	99	33:23	100	100	C.para	3 (3)	0 (0)
C.glab vs C.krus	1.74-1.76; 2.30-2.37	93:79	100	98	26:21	100	100	C.trop	0 (0)	1 (4)
C.glab vs C.para	2.30-2.37; 3.67-3.77	93:95	100	100	26:27	100	100
C.glab vs C.trop	3.24-3.30; 3.74-3.79	93:73	100	100	26:23	96	96
C.krus vs C.para	2.05-2.12; 2.48-2.56	79:95	98	100	21:27	100	100
C.krus vs C.trop	1.46-1.51; 3.92-4.04	79:73	100	100	21:23	95	100
C.para vs C.trop	3.76-3.82; 3.95-4.01	95:73	100	97	27:23	100	100

^aThe left part of the table shows the ¹H NMR chemical shift regions used for the individual pairwise classifiers and the sensitivity and specificity of the pairwise classifiers on the training set and a validation set. The numbers of isolates refer to the species indicated in column 1. The right part of the table lists the number of isolates in the two data sets that were not confidently (class assignment P > 60%) assigned to one of the species (fuzzy classification). C.alb, C. albicans; C.glab, C. glabrata; C.krus, C. krusei; C.para, C. parapsilosis; and C.trop, C. tropicalis.