arPLS implements the algorithm for smoothing of Raman spectra from:
Sung-June Baek, Aaron Park, Young-Jin Ahna and Jaebum Choo: "Baseline correction using asymmetrically reweighted penalized least squares smoothing", Analyst, 2015,140, 250-257
This is an improved algorithm compared to https://github.com/zmzhang/airPLS
The implementation uses linear algebra for sparse matrices from alglib (http://www.alglib.net). Alglib is licensed under GPL2+. Commercial licenses are available.
Compile:
make arPls
Run:
arPLS demoSpectrum.txt 1000