PolyAlign: A Versatile LC-MS Data Alignment Tool for Landmark-Selected and -Automated Use

Table 3

Root mean square errors of landmarks before and after aligning the patient data set for subject A (data set 2). Warping polynomials of degree 𝑘=1,2,3 were applied for correcting distortion. Results for the best polynomial degrees are shown. Map 20 has been used as the reference map and the other maps were aligned to it, as indicated as target 21–26.

Target	Degree k	RMS error		Change	Change%
		Before	After
21	2	31.30	7.17	−24.13	−77.1
22	2	69.12	17.52	−51.60	−74.6
23	2	39.39	13.43	−25.96	−65.9
24	1	31.31	13.69	−17.62	−56.3
25	2	13.56	10.83	−2.73	−20.1
26	2	11.07	9.19	−1.88	−16.9