dp5.nmr_processing.proton.integrate

Functions

find_integrals(mol, peak_regions, ...)

integral_add(sim_regions, proton_guess)

integral_score(integrals, structure_protons, ...)

integrate_sim_regions(sim_regions, ...)

normalise_integration(integrals, ...)

remove_impurities(integrals, peak_regions, ...)

sum_round(a)

Round each element in the input list to the nearest integer and adjust some values to minimize the error in the sum of the rounded values.

weighted_region_centres(peak_regions, ...)