Subtract baseline for XRD libraries based on asymmetric least squares smoothing. In most case, the baseline problems for a given spectrum are characterized by a superimposed signal that carries the analytical information: a series of peaks that are either all positive or all negative. The algorithm uses a smoother asymmetric weighting of deviations from the (smooth) trend to generate an effective baseline estimator. It is easy to use, fast and keeps the analytical peak signal intact. No prior information about peak shapes or baseline (polynomial) is needed by the method. The performance is illustrated by simulation and applications to real data.
The list of required python packages is contained in the requirements.txt file in this repository. After installing the required dependencies, run main_baseline_subtraction.py to execute the program.