Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements

BMC Bioinformatics

Table 6 Alignment recall and precision results for the metabolomics data sets M1 and M2

Data set	msInspect	MZmine	OpenMS	SpecArray	XAlign	XCMS
						without retention time	with correction
M1
Recall_Align	0.27	0.89	0.87	-	0.88	0.98	0.94
Precision_Align	0.46	0.74	0.69	-	0.70	0.60	0.70
M2
Recall_Align	0.23	0.98	0.93	-	0.93	0.97	0.98
Precision_Align	0.47	0.84	0.79	-	0.79	0.58	0.78

ISSN: 1471-2105