polyfit.py 文件源码

def polyfit_baseline(bands, intensities, poly_order=5, num_stdv=3.,
                     max_iter=200):
    '''Iteratively fits a polynomial, discarding far away points as peaks.
    Similar in spirit to ALS and related methods.
    Automated method for subtraction of fluorescence from biological Raman spectra
    Lieber & Mahadevan-Jansen 2003
    '''
    fit_pts = intensities.copy()
    # precalculate [x^p, x^p-1, ..., x^1, x^0]
    poly_terms = bands[:, None] ** np.arange(poly_order, -1, -1)
    for _ in range(max_iter):
        coefs = np.polyfit(bands, fit_pts.T, poly_order)
        baseline = poly_terms.dot(coefs).T
        diff = fit_pts - baseline
        thresh = diff.std(axis=-1) * num_stdv
        mask = diff > np.array(thresh, copy=False)[..., None]
        unfitted = np.count_nonzero(mask)
        if unfitted == 0:
            break
        fit_pts[mask] = baseline[mask]  # these points are peaks, discard
    else:
        print("Warning: polyfit_baseline didn't converge in %d iters" % max_iter)
    return baseline