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

Table 2 Metric measurements of six representative "good" chromatographic peaks

Detected Chromatographic Peaks				Sharpness	Gaussian Similarity	SNR	Peak Significance	TPASR	Zigzag Index
EIC ID	Apex m/z	Left boundary	Right boundary
36	76.0394	204	218	8.9705	0.9166	8.0778	12.7402	0.1566	0.0176
40	79.1103	319	353	11.3840	0.6215	25.843	10.9250	0.1286	0.0011
90	90.0550	209	225	5.1435	0.9113	7.1372	7.0022	0.1905	0.0110
90	90.0554	235	251	2.6920	0.9450	7.5643	3.9047	0.0783	0.0245
153	118.086	326	342	5.0117	0.8970	9.4289	7.1237	0.2745	0.0082
205	133.106	625	659	6.4712	0.9674	23.1665	12.6363	0.1683	0.0166

ISSN: 1471-2105