mcutils/xray/peaks.py

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import lmfit
import numpy as np
pv = lmfit.models.PseudoVoigtModel()
def fitPeak(x,y,autorange=False):
if autorange:
# find fwhm
idx = np.ravel(np.argwhere( y<y.max()/2 ))
# find first crossing
p1 = idx[idx<np.argmax(y)][-1]
p2 = idx[idx>np.argmax(y)][0]
c = int( (p1+p2)/2 )
dp = int( np.abs(p1-p2) )
idx = slice(c-dp,c+dp)
x = x[idx]
y = y[idx]
pars = pv.guess(y,x=x)
ret = pv.fit(y,x=x,params=pars)
return ret