Quality evaluation of extracted ion chromatograms and chromatographic peaks in liquid chromatography/mass spectrometry-based metabolomics data

Table 3 Metric measurements of six representative "bad" chromatographic peaks.

Detected Chromatographic Peaks				Sharpness	Gaussian Similarity	SNR	Peak Significance	TPASR	Zigzag index
EIC ID	Apex m/z	Left boundary	Right boundary
61	81.2037	350	358	1.3857	0.9204	1.7314	1.4284	0.2824	0.1146
40	90.0552	192	202	0.7868	0.9708	3.0460	1.3116	0.4495	0.0849
154	118.194	416	424	1.4336	0.7430	1.8057	1.4668	0.0134	0.2167
154	118.195	627	637	2.1550	0.6153	2.0857	1.3998	0.2241	0.7840
211	134.987	547	565	2.8075	0.5157	2.2730	1.3840	0.5540	0.9587
338	190.253	259	270	2.1482	0.8328	6.6839	1.5912	0.1919	0.3399

ISSN: 1471-2105