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. 2017 Jan 21;4(Pt 2):158–174. doi: 10.1107/S2052252516020200

Table 1. Linear regressions of the Inline graphic values in ketones as a function of chemical content and molecular weight W .

E° is the ordinate value at the origin. For instance, the first row equation is E lr = 1.06 × S(O) + 1.01.

W S(C) S(H) S(O) E° Correlation
      1.06 1.01 0.451
  1.05     1.01 0.451
    −0.74   1.72 0.523
    −0.65 0.17 1.62 0.526
9.6E-05   −0.64 0.16 1.63 0.526