Python baseline correction library

Tinker picture Tinker · Mar 20, 2015 · Viewed 20.2k times · Source

I am currently working with some Raman Spectra data, and I am trying to correct my data caused by florescence skewing. Take a look at the graph below:

enter image description here

I am pretty close to achieving what I want. As you can see, I am trying to fit a polynomial in all my data whereas I should really just be fitting a polynomial at the local minimas.

Ideally I would want to have a polynomial fitting which when subtracted from my original data would result in something like this:

enter image description here

Are there any built in libs that does this already?

If not, any simple algorithm one can recommend for me?

Answer

Tinker picture Tinker · Mar 21, 2015

I found an answer to my question, just sharing for everyone who stumbles upon this.

There is an algorithm called "Asymmetric Least Squares Smoothing" by P. Eilers and H. Boelens in 2005. The paper is free and you can find it on google.

def baseline_als(y, lam, p, niter=10):
  L = len(y)
  D = sparse.csc_matrix(np.diff(np.eye(L), 2))
  w = np.ones(L)
  for i in xrange(niter):
    W = sparse.spdiags(w, 0, L, L)
    Z = W + lam * D.dot(D.transpose())
    z = spsolve(Z, w*y)
    w = p * (y > z) + (1-p) * (y < z)
  return z