dp5.nmr_processing.helper_functions

Functions

generalised_lorentzian(x, mu, std, v, A)	Calculate the value of a generalized Lorentzian function at given x values.
jcamp_guess_udic(dic, data)	Guess parameters of universal dictionary from dic, data pair.
labile_protons(mol)	Counts protons in OH functional groups.
lorentzian(p, w, p0, A)
methyl_protons(mol)
normalise_intensities(ydata)	Scales array by the largest modulus of the values
preprocess(total_spectral_ydata, zero_filling)	Method-agnostic zero-filling, Fourier transform, and normalisation Arguments: - total_spectral_ydata: numpy array containing time domain FID - zero_filling(int): double length of the time domain this number of times Returns: - Normalised complex frequency-domain data, highest modulus set to 1
preprocess_carbon(total_spectral_ydata)
preprocess_proton(total_spectral_ydata)
proton_count(mol)	Counts number of hydrogen atoms in a moecule
read_bruker(folder)	Wrapper function for reading bruker dataset folder.
read_jcamp(file)