metbit.baseline

NMR and preprocessing module in metbit 8.4.4.

import metbit.baseline

Functions

bline(X: pd.DataFrame, lam: float=10000000.0, max_iter: int=30)

Baseline correction for 1D NMR spectra using asymmetric least squares (ALS).

Parameters: X (pd.DataFrame): DataFrame where rows are spectra, columns are PPM values. lam (float): Smoothing parameter (lambda). Higher = smoother baseline. max_iter (int): Max iterations for ALS.

Returns: pd.DataFrame: Baseline-corrected spectra (same shape as input).

Source

metbit/baseline.py at v8.4.4