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. 2020 May 9;412(18):4447–4459. doi: 10.1007/s00216-020-02687-5

Table 2.

Parameter ranges for the generation of mixture spectra based on the applied spectral model (dataset Xii) based on experience (prior knowledge)

Peak position, ω / ppm 0–± 0.005
Component shift, θS,k / ppm 0–± 0.015
Group shift, θGS,k / ppm 0–± 0.01
Peak broadening parameter, θPB,k / % 0–± 15
Component area, Alf,synth / a.u. 0–180
Noise factor / % 0–± 15