An efficient post-hoc integration method improving peak alignment of metabolomics data from GCxGC/TOF-MS

BMC Bioinformatics

Table 6 The number of peaks: R stands for replicate

Dataset	R1	R2	R3	R4	R5	R6	R7	R8	R9	R10
Std.	35/78	31/76	28/76	22/75	26/74	23/73	29/74	37/76	37/77	33/75
Mice	55/466	56/456	60/437	51/452	50/418
Wheat	72/492	62/413	78/493	68/490	79/479	77/521	80/570	59/437

n1/n2; n2 is the number of compounds after peak merging and this number does not change according to the way of peak merging. However, since each peak merging selects a representative peak by using different criterion, different representative peak sometimes is selected. That is, the way to merge affects representative peak selection for some compounds. n1 is the number of compounds affected by peak merging.

ISSN: 1471-2105