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remove normalization and fix scaling for chi^2
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+4
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hexrd/xrd/fitting.py

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -308,13 +308,13 @@ def objFuncSX(pFit, pFull, pFlag, dFunc, dFlag,
308308
if return_value_flag == 1:
309309
retval = sum( abs(retval) )
310310
elif return_value_flag == 2:
311-
denom = npts - len(pFit) - 1.
311+
denom = 3*npts - len(pFit) - 1.
312312
if denom != 0:
313313
nu_fac = 1. / denom
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else:
315315
nu_fac = 1.
316316
nu_fac = 1 / (npts - len(pFit) - 1.)
317-
retval = nu_fac * sum(retval**2 / abs(np.hstack([calc_xy, calc_omes.reshape(npts, 1)]).flatten()))
317+
retval = nu_fac * sum(retval**2)
318318
return retval
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320320
"""
@@ -440,12 +440,12 @@ def objFuncFitGrain(gFit, gFull, gFlag,
440440
if return_value_flag == 1:
441441
retval = sum( abs(retval) )
442442
elif return_value_flag == 2:
443-
denom = npts - len(gFit) - 1.
443+
denom = 3*npts - len(gFit) - 1.
444444
if denom != 0:
445445
nu_fac = 1. / denom
446446
else:
447447
nu_fac = 1.
448-
retval = nu_fac * sum(retval**2 / abs(np.hstack([calc_xy, calc_omes.reshape(npts, 1)]).flatten()))
448+
retval = nu_fac * sum(retval**2)
449449
return retval
450450

451451
# def accept_test(f_new=f_new, x_new=x_new, f_old=fold, x_old=x_old):

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