One covariance NMR spectrum or 2D FT spectrum in nmrPipe format.
The DemixC only accepts nmrPipe w2w1 format. Use covariance NMR website to generate input file in nmrPipe format.
homonuclear: 1H-1H 2D TOCSY
heteronuclear: 1H-13C 2D HSQC-TOCSY
DemixC can be applied either along w2 or w1.
Importance index threshold:
Typically around 0.05 (5%); can range between 0.0 and 1.0
This parameter defines traces that have a low probability of spectral overlap.
It also defines the lowest sensitivity component to be identified.
It may be worthwhile to vary this parameter and observe the resulting traces.
Trace similarity cutoff:
Typically around 0.4 (40%); can range between 0.0 and 1.0
water removal region:
This option allows the removal of spurious water (or an other strong) signal.
This is most beneficial in combination with indirect covariance NMR.
If the two ppm values are the same, no water is removed, i.e. this option is ignored.