Ejemplo n.º 1
0
def Oct17NMRfitting():
#    a = loadtxt('/home/chris/Dropbox/DataWeiss/151020/MPAexchange on HCN_1000eq.csv',skiprows = 1, usecols = (0,1), delimiter = ',', unpack = True)
#   `r = RamanSpectrum(pandas.Series(a[1],a[0]))
#    w=1E-5
#    g = [0.05,0.03,0.05,.03,.1,.03,.05,.03,.05,1.38,1.39,1.395,1.405,1.41,1.42,1.425,1.43,1.44,w,w,w,w,w,w,w,w,w,0,0]
#    s = fitspectrum(r,(1.34,1.46), 'xGaussian', g)
#    clf()
#    r.plot()
#    for i in s.peaks: plot(s.x,i)
#    plot(s.x,s.y)
#    print s.areas
#    xlim(1.34,1.49)
#    ylim(-0.01,0.1)
    
 
#    a = loadtxt('/home/chris/Dropbox/DataWeiss/151020/MPAexchange on HCN_100eq.csv',skiprows = 1, usecols = (0,1), delimiter = ',', unpack = True)
#    r = RamanSpectrum(pandas.Series(a[1],a[0]))
#    r.name = ''
#    w=1E-5
#    a = 0.04
#    g = [a,a,a,a,a,a,a,a,a,a,a,1.38,1.385,1.392,1.398,1.405,1.41,1.412,1.42,1.43,1.435,1.44,w,w,w,w,w,w,w,w,w,w,w,0,0]
#   # s =  fitspectrum(r,(1.34,1.46), 'xGaussian', g)
#    
#    r.plot()
#    for i in s.peaks: plot(s.x,i)
#    plot(s.x,s.y)
#    print s.areas
#    xlim(1.34,1.49)
#    ylim(-0.01,0.1)
    
    a = loadtxt('/home/chris/Dropbox/DataWeiss/151020/MPAexchange on HCN_100eq.csv',skiprows = 1, usecols = (0,1), delimiter = ',', unpack = True)
    r = RamanSpectrum(pandas.Series(a[1],a[0]))
    r.name = ''
    w=1E-5
    a = 0.04
    g = [a,0.05,a,a,a,a,a,a,a,a,a,1.725,1.73,1.738,1.743,1.745,1.75,1.755,1.765,1.77,1.78,1.785,w,w,w,w,w,w,w,w,w,w,w,0,0]
    s =  fitspectrum(r,(1.70,1.80), 'xGaussian', g)
    clf()
    r.plot()
    for i in s.peaks: plot(s.x,i)
    plot(s.x,s.y)
    print s.params[0]
    xlim(1.70,1.80)
    ylim(-0.01,0.1)
    return s.areas