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added errorbar weighting and filter for nans and inf

This commit is contained in:
Marco Cammarata 2017-01-27 15:40:26 +01:00
parent 21d7516789
commit 4319f4e394
1 changed files with 14 additions and 2 deletions
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16
xray/peaks.py
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@ -1,9 +1,21 @@
import lmfit
import numpy as np
import logging as log
pv = lmfit.models.PseudoVoigtModel()
def fitPeak(x,y,autorange=False):
def fitPeak(x,y,err=1,autorange=False):
if isinstance(err,np.ndarray):
if np.all(err==0):
err = 1
log.warn("Asked to fit peak but all errors are zero, forcing them to 1")
elif np.isfinite(err).sum() != len(err):
idx = np.isfinite(err)
x = x[idx]
y = y[idx]
err = err[idx]
log.warn("Asked to fit peak but some errorbars are infinite or nans,\
excluding those points")
if autorange:
# find fwhm
idx = np.ravel(np.argwhere( y<y.max()/2 ))
@ -16,5 +28,5 @@ def fitPeak(x,y,autorange=False):
x = x[idx]
y = y[idx]
pars = pv.guess(y,x=x)
ret = pv.fit(y,x=x,params=pars)
ret = pv.fit(y,x=x,weights=1/err,params=pars)
return ret