Comparative Analysis of Mass Spectral Similarity Measures on Peak Alignment for Comprehensive Two-Dimensional Gas Chromatography Mass Spectrometry

Table 1

The summary of GC×GC/TOF-MS datasets. The numbers of peaks before and after peak merging are calculated for each dataset.

Run ID	Data I	S1	S2	S3	S4	S5	S6	S7	S8	S9	S10
The number of peaks	Before	180	186	161	151	151	145	172	163	168	174
	After	78	76	76	75	74	73	74	76	77	75
Run ID	Data II	P1	P2	P3	P4	P5
The number of peaks	Before	759	733	694	727	661
	After	466	456	436	452	418