Protomix.fourier_transform

fourier_transform(fid_df: DataFrame, acqus_df: DataFrame) → DataFrame[source]

Apply Fourier Transform to FID (Free Induction Decay) signals in a DataFrame and convert to chemical shift values in ppm.

This function takes a DataFrame containing rows of FID signals, applies the Fourier Transform to each row, and then scales the frequencies to chemical shift values in ppm using parameters from the acqus_df DataFrame.

Parameters:

  • fid_df (pd.DataFrame) – DataFrame containing FID signals in rows. Each row represents an FID signal from a sample.

  • acqus_df (pd.DataFrame) – DataFrame containing acquisition parameters necessary for the transformation. It should include spectral width ($SW_h), spectral offset ($O1), and NMR frequency ($SFO1).

Returns:

DataFrame containing Fourier-transformed spectra. Columns represent chemical shift values in ppm, and rows correspond to the transformed FID signals.

Return type:

pd.DataFrame

Notes:

The function performs a Fourier Transform on each FID signal in fid_df. The spectral width ($SW_h), spectral offset ($O1), and NMR frequency ($SFO1) from acqus_df are used to calculate the ppm scale for the spectra.