[SciPy-User] scipy.odr question

Wed Jul 4 12:32:50 EDT 2012

I tried to fit a lorentzian to some code. Below is my working example.
Strangely for the odr-fitting the result are far off, even though the
starting values are very reasonable. I also attached a plot of it.

What is going wrong with odr fit?
I'm looking into odr because i get better fit results with peak-o-mat
(which apparently uses odr) than with leastsq or mpfit. See also my
question on stackoverflow
http://stackoverflow.com/questions/11330131/difference-between-levenberg-marquardt-algorithm-and-odr

Code:
###################

import scipy.odr as odr
import numpy as np
import matplotlib.pyplot as plt

def f(B, x):
    '''Lorentzian with offset'''
    return B[0] / (1 + np.power((x - B[1]) / (B[2] / 2), 2)) + B[3]

linear = odr.Model(f)

data = np.loadtxt('constraint.dat') # read data
x = data[:, 0]
y = data[:, 1]
mydata = odr.RealData(x, y, sx = x, sy = y)

beta0 = [2500., 2440., 18., 4500.]
myodr = odr.ODR(mydata, linear, beta0 = beta0, maxit = 2000)

myoutput1 = myodr.run() # odr fit

myodr.set_job(fit_type = 2) # leastsq fit (?)
myoutput2 = myodr.run()

plt.plot(x, y) # raw data
plt.plot(x, f(beta0, x)) # start values
plt.plot(x, f(myoutput1.beta, x)) # fit 1
plt.plot(x, f(myoutput2.beta, x)) # fit 2
plt.legend(('raw data', 'start values', 'odr fit', 'leastsq fit'))
#plt.savefig('odrfit.png', dpi = 90)
plt.show()

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