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. Author manuscript; available in PMC: 2018 Feb 7.
Published in final edited form as: Anal Chem. 2017 Jan 19;89(3):2000–2008. doi: 10.1021/acs.analchem.6b04544

Table 3.

Step-wise optimization process and model accuracy.

Optimization cycle Corrections introduced R2-value
Starting point μef = 900*(ln(1+0.35*Z)/M0.411) - 0.974 (Figure 1a)
1 (sequence specific Z corrections) Position specific charge corrections for Asn, Glu, Asn; nearest neighbour effect for Asn, Glu 0.991 (Figure 1b, c)
2 (mass correction) Correction related to relative size of the residues in peptide sequence 0.992 (Figure 1d)
3 (polynomial correction) Polynomial offset – function of Zc/N 0.995 (Figure 1e, f)