def main(): tt = [H.twoTheta(H.calcS(cell, ref.hkl),wavelength) for ref in magRefList] print getMagStrFacts() S.diffPatternXtal(infoFile=infoFile, cell=cell, scale=1, tt=tt, obsIntensity=np.zeros(len(magRefList)), wavelength=wavelength, basisSymmetry=symmetry, magAtomList=magAtomList, plot=True, residuals=True, nuclear=False, error=None, magnetic=True, info=True, base=0, refList=refList, extinctions=None)
def main(): cell = crystalCell S.diffPatternXtal(infoFile=infoFile, cell=cell, scale=1.00, tt=tt, obsIntensity=sfs2, wavelength=wavelength, plot=True, residuals=True, error=error, info=True, base=0, refList=refList, extinctions=[0])
def main(): cell = crystalCell S.diffPatternXtal(infoFile=infoFile, cell=cell, scale=186.0, tt=tt, obsIntensity=sfs2, wavelength=wavelength, plot=True, residuals=True, error=error2, info=True, base=0, refList=refList, extinctions=[3.607, 2.156, 4.335, 0.4110, 0.2721, 0.0], magAtomList=magAtomList, magnetic=True)
def main(): cell = crystalCell S.diffPatternXtal(infoFile=infoFile, cell=cell, scale=1.557, tt=tt, obsIntensity=sfs2, wavelength=wavelength, basisSymmetry=basisSymmetry, magAtomList=magAtomList, plot=True, residuals=True, error=error, magnetic=True, info=True, base=0, refList=refList, extinctions=[0])
def main(): cell = crystalCell S.diffPatternXtal(infoFile=infoFile, cell=cell, scale=5.5*0.06298, tt=tt, obsIntensity=sfs2, wavelength=wavelength, plot=True, residuals=True, error=None, magnetic=False, info=True, base=0, refList=refList, extinctions=[0.0001054])
def main(): cell = crystalCell S.diffPatternXtal(infoFile=infoFile, cell=cell, scale=186.0, tt=tt, obsIntensity=sfs2, wavelength=wavelength, plot=True, residuals=True, error=error2, info=True, base=0, refList=refList, extinctions=[ 3.607,2.156,4.335,0.4110,0.2721,0.0], magAtomList=magAtomList, magnetic=True)