def guess(self, data, x=None, negative=False, **kwargs):
pars = guess_from_peak(self, data, x, negative, ampscale=0.5, amp_area=False)
pname = "%s%s" % (self.prefix, 'res')
pars[pname].value = .1
pname = "%s%s" % (self.prefix, 'kbT')
pars[pname].value = .01
return update_param_vals(pars, self.prefix, **kwargs)
def rect_guess(self, data, x=None, **kwargs):
if x is None:
return
ymin, ymax = min(data), max(data)
xmin, xmax = min(x), max(x)
ntest = min(2, len(data)/5)
step_up = (data[:ntest].mean() > data[-ntest:].mean())
dydx = savitzky_golay(np.gradient(data)/np.gradient(x), 5, 2)
cen1 = x[np.where(dydx==dydx.max())][0]
cen2 = x[np.where(dydx==dydx.min())][0]
if step_up:
center1 = cen1 # + (xmax+xmin)/4.0)/2.
center2 = cen2 # + 3*(xmax+xmin)/4.0)/2.
else:
center1 = cen2 # + (xmax+xmin)/4.0)/2.0
center2 = cen1 # + 3*(xmax+xmin)/4.0)/2.0
pars = self.make_params(amplitude=(ymax-ymin),
center1=center1, center2=center2)
pars['%ssigma1' % self.prefix].set(value=(xmax-xmin)/5.0, min=0.0)
pars['%ssigma2' % self.prefix].set(value=(xmax-xmin)/5.0, min=0.0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
data = data.flatten()
offset = np.mean(data)
pars = self.make_params(offset_re=float(np.real(offset)),
offset_im=float(np.imag(offset)))
return update_param_vals(pars, self.prefix, **kwargs)[0]
def rect_guess(self, data, x=None, **kwargs):
if x is None:
return
ymin, ymax = min(data), max(data)
xmin, xmax = min(x), max(x)
ntest = min(2, len(data) / 5)
step_up = (data[:ntest].mean() > data[-ntest:].mean())
dydx = savitzky_golay(np.gradient(data) / np.gradient(x), 5, 2)
cen1 = x[np.where(dydx == dydx.max())][0]
cen2 = x[np.where(dydx == dydx.min())][0]
if step_up:
center1 = cen1 # + (xmax+xmin)/4.0)/2.
center2 = cen2 # + 3*(xmax+xmin)/4.0)/2.
else:
center1 = cen2 # + (xmax+xmin)/4.0)/2.0
center2 = cen1 # + 3*(xmax+xmin)/4.0)/2.0
pars = self.make_params(amplitude=(ymax - ymin),
center1=center1,
center2=center2)
pars['%ssigma1' % self.prefix].set(value=(xmax - xmin) / 5.0, min=0.0)
pars['%ssigma2' % self.prefix].set(value=(xmax - xmin) / 5.0, min=0.0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, **kwargs):
"""Guess parameters as gamma=2, H_k=0, M_s~(pi.f)^2/(mu_0^2.H)-H"""
x = kwargs.get("x", np.linspace(1, len(data), len(data) + 1))
v_offset_guess = np.mean(data)
v = np.abs(data - v_offset_guess)
x = np.abs(x)
v_low = np.max(v) * 0.05
v_high = np.max(v) * 0.90
ic_index = v < v_low
rn_index = v > v_high
ic_guess = np.max(
x[ic_index]) # Guess Ic from a 2% of max V threhsold creiteria
rn_guess = np.mean(v[rn_index] / x[rn_index])
pars = self.make_params(Ic_p=ic_guess,
Ic_n=-ic_guess,
Rn=rn_guess,
V_offset=v_offset_guess)
pars["Ic_p"].min = 0
pars["Ic_n"].max = 0
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x, **kwargs):
"""Guess starting values for the parameters of a model.
Parameters
----------
data: :class:`~numpy:numpy.ndarray`
data to be fitted
x: :class:`~numpy:numpy.ndarray`
energy domain where the interpolation required
kwargs : dict
additional optional arguments, passed to model function.
Returns
-------
:class:`~lmfit.parameter.Parameters`
parameters with guessed values
"""
params = self.make_params()
def pset(param, value):
params["%s%s" % (self.prefix, param)].set(value=value)
x_at_max = x[models.index_of(data, max(data))]
ysim = self.eval(x=x_at_max, amplitude=1, center=x_at_max)
amplitude = max(data) / ysim
pset("amplitude", amplitude)
pset("center", x_at_max)
return models.update_param_vals(params, self.prefix, **kwargs)
def guess(self, data, x=None, negative=False, **kwargs):
pars = self.make_params()
pars['%samplitude' % self.prefix].set(value=data.max() - data.min())
try:
pars['%scenter' % self.prefix].set(value=(x.min() + x.max() )/2)
except AttributeError:
pass
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
sxval, syval, oval = 0., 0., 0.
if x is not None:
not_nan_inds = ~np.isnan(data)
sxval, oval = np.polyfit(x[0][not_nan_inds], data[not_nan_inds], 1)
syval, oval = np.polyfit(x[1][not_nan_inds], data[not_nan_inds], 1)
pars = self.make_params(intercept=oval, slope_x=sxval, slope_y=syval)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, negative=False, **kwargs):
pars = guess_from_peak_2D(self,
data,
x,
negative,
ampscale=1.,
amp_area=False)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
sxval, syval, oval = 0., 0., 0.
if x is not None:
not_nan_inds = ~np.isnan(data)
sxval, oval = np.polyfit(x[0][not_nan_inds], data[not_nan_inds], 1)
syval, oval = np.polyfit(x[1][not_nan_inds], data[not_nan_inds], 1)
pars = self.make_params(intercept=oval, slope_x=sxval, slope_y=syval)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
_kb=consts.physical_constants['Boltzmann constant'][0]/consts.physical_constants['elementary charge'][0]
d1,d2 = 1.,0.0
if x is not None:
d1,d2=_np_.polyfit(-1.0/x,_np_.log(data),1)
pars = self.make_params(A=_np_.exp(d2), dE=_kb*d1,n=1.0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
_kb = consts.physical_constants['Boltzmann constant'][
0] / consts.physical_constants['elementary charge'][0]
d1, d2 = 1., 0.0
if x is not None:
d1, d2 = _np_.polyfit(-1.0 / x, _np_.log(data), 1)
pars = self.make_params(A=_np_.exp(d2), dE=_kb * d1, n=1.0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, B=None, **kwargs):
s0, DS, B1, B2 = 1.0, 1.0, 1.0, 1.0
if B is not None:
zpos = _np_.argmin(_np_.abs(B))
s0 = data[zpos]
B1 = _np_.max(B) / 2.0
B2 = B1
DS = 1.0
pars = self.make_params(s0=s0, DS=DS, B1=B1, B2=B2)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
data = data.flatten()
slope = (data[-1]-data[0])/(x[-1] - x[0])
intercept = data[0] - slope*x[0]
pars = self.make_params(intercept_re=float(np.real(intercept)),
intercept_im=float(np.imag(intercept)),
slope_re=float(np.real(slope)),
slope_im=float(np.imag(slope))),
return update_param_vals(pars, self.prefix, **kwargs)[0]
def guess(self, data, x=None, **kwargs):
"""Guess paramneters from a set of data."""
_kb = consts.physical_constants["Boltzmann constant"][
0] / consts.physical_constants["elementary charge"][0]
d1, d2 = 1.0, 0.0
if x is not None:
d1, d2 = np.polyfit(-1.0 / x, np.log(data / x), 1)
pars = self.make_params(A=np.exp(d2), DE=_kb * d1, n=1.0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, B=None, **kwargs):
s0,DS,B1,B2=1.0,1.0,1.0,1.0
if B is not None:
zpos=_np_.argmin(_np_.abs(B))
s0=data[zpos]
B1=_np_.max(B)/2.0
B2=B1
DS=1.0
pars = self.make_params(s0=s0,DS=DS,B1=B1,B2=B2)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, B=None, **kwargs):
"""Guess parameters for weak localisation fit."""
s0, DS, B1, B2 = 1.0, 1.0, 1.0, 1.0
if B is not None:
zpos = np.argmin(np.abs(B))
s0 = data[zpos]
B1 = np.max(B) / 2.0
B2 = B1
DS = 1.0
pars = self.make_params(s0=s0, DS=DS, B1=B1, B2=B2)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""Guess paramneters from a set of data."""
_kb = consts.physical_constants["Boltzmann constant"][
0] / consts.physical_constants["elementary charge"][0]
d1, d2, x0 = 1.0, 0.0, 1.0
if x is not None:
x0 = x[np.argmin(np.abs(data))]
d1, d2 = np.polyfit(-1.0 / (x - x0), np.log(data), 1)
pars = self.make_params(A=np.exp(d2), dE=_kb * d1, x_0=x0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""Guess some starting values."""
Ms = data.max() * 1.001
if x is not None:
y = np.log(1 - data / Ms)
X = np.log(x)
d2 = np.polyfit(X, y, 1)[1]
x0 = np.exp(d2 * 2 / 3)
else:
x0 = len(data)
pars = self.make_params(Ms=Ms, Tc=x0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""Guess parameters for weak localisation fit."""
s0, DS, B1, B2 = 1.0, 1.0, 1.0, 1.0
if x is not None:
zpos = np.argmin(np.abs(x))
s0 = data[zpos]
B1 = np.max(x) / 20.0
B2 = B1 * 10
DS = 1.0
pars = self.make_params(s0=s0, DS=DS, B1=B1, B2=B2)
for p in pars:
pars[p].min = 0.0
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""Guess parameters as gamma=2, H_k=0, M_s~(pi.f)^2/(mu_0^2.H)-H"""
M_s = (_np_.pi * data / consts.mu0) / x - x
M_s = _np_.mean(M_s[1:])
g = 2
pars = self.make_params(g=g, M_s=M_s, H_k=100.0)
pars["M_s"].min = 0
pars["g"].min = g / 100
pars["H_k"].min = 0
pars["H_k"].max = M_s.max()
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""Estimate initial model parameter values from data.
Args:
data (array_like): y data points
x (array_like): x data points
Returns:
lmfit.parameter.Parameters: Guessed parameters
"""
pars = guess_voigt(self, data, x)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""Guess parameters for the stretched exponential from data."""
A, beta, x0 = 1.0, 1.0, 1.0
if x is not None:
A = data[np.argmin(np.abs(x))]
x = np.log(x)
y = np.log(-np.log(data / A))
d = np.column_stack((x, y))
d = d[~np.isnan(d).any(axis=1)]
d = d[~np.isinf(d).any(axis=1)]
d1, d2 = np.polyfit(d[:, 0], d[:, 1], 1)
beta = d1
x0 = np.exp(d2 / beta)
pars = self.make_params(A=A, beta=beta, x_0=x0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""Guess parameters as gamma=2, H_k=0, M_s~(pi.f)^2/(mu_0^2.H)-H"""
g = 2
H_k = 100
gamma = g * cnst.e / (2 * cnst.m_e)
M_s = (4 * np.pi**2 * data**2 - gamma**2 * cnst.mu_0**2 *
(x**2 + 2 * x * H_k + H_k**2)) / (gamma**2 * cnst.mu_0**2 *
(x + H_k))
M_s = np.mean(M_s)
pars = self.make_params(g=g, M_s=M_s, H_k=H_k)
pars["M_s"].min = 0
pars["g"].min = g / 100
pars["H_k"].min = 0
pars["H_k"].max = M_s.max()
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs): # pylint: disable=unused-argument
"""Guess some starting values - not very clever"""
rho0 = data.min()
if x is None:
t = np.linspace(0, 1, len(data))
else:
t = x / x.max()
y = data - data.min()
t = t[y > 0.05 * y.max()]
y = y[y > 0.05 * y.max()]
A = np.polyfit(t, y, 1)[0]
pars = self.make_params(thetaD=500, rho0=rho0, A=A, n=5.0)
pars["A"].min = 0
pars["n"].vary = False
return update_param_vals(pars, self.prefix, **kwargs)
def step_guess(self, data, x=None, **kwargs):
if x is None:
return
ymin, ymax = min(data), max(data)
xmin, xmax = min(x), max(x)
ntest = min(2, len(data)/5)
step_up = (data[:ntest].mean() > data[-ntest:].mean())
dydx = savitzky_golay(np.gradient(data)/np.gradient(x), 5, 2)
if step_up:
cen = x[np.where(dydx==dydx.max())][0]
else:
cen = x[np.where(dydx==dydx.min())][0]
pars = self.make_params(amplitude=(ymax-ymin), center=cen)
pars['%ssigma' % self.prefix].set(value=(xmax-xmin)/5.0, min=0.0)
return update_param_vals(pars, self.prefix, **kwargs)
def step_guess(self, data, x=None, **kwargs):
if x is None:
return
ymin, ymax = min(data), max(data)
xmin, xmax = min(x), max(x)
ntest = min(2, len(data) / 5)
step_up = (data[:ntest].mean() > data[-ntest:].mean())
dydx = savitzky_golay(np.gradient(data) / np.gradient(x), 5, 2)
if step_up:
cen = x[np.where(dydx == dydx.max())][0]
else:
cen = x[np.where(dydx == dydx.min())][0]
pars = self.make_params(amplitude=(ymax - ymin), center=cen)
pars['%ssigma' % self.prefix].set(value=(xmax - xmin) / 5.0, min=0.0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, **kwargs):
"""Guess parameters as max(data), x[argmax(data)] and from FWHM of peak"""
x = kwargs.get("x",
np.linspace(-len(data) / 2,
len(data) / 2, len(data)))
Ic0_guess = data.max()
B_offset_guess = x[data.argmax()]
tmp = np.abs(data - (data.max() / 2))
x0 = np.abs(x[tmp.argmin()] - B_offset_guess)
A_guess = 2.2 * Phi_0 / (np.pi * x0)
pars = self.make_params(Ic0=Ic0_guess,
B_offset=B_offset_guess,
A=A_guess)
pars["Ic0"].min = 0
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""
Estimate initial anchor points through a dataset for the fitting of a cubic spline.
Args:
data (array_like): y data points
x (array_like): x data points
Returns:
lmfit.parameter.Parameters: Guessed parameters
"""
pars = self.make_params()
spacing = np.linspace(np.min(x), np.max(x), self.n_anchors)
spacing_idx = [(np.abs(x - space)).argmin() for space in spacing]
data = np.asarray(data)
x_anchors = [x[i] for i in spacing_idx]
for i, coef in enumerate(x_anchors[::1]):
pars['%sx_%i' % (self.prefix, i)].set(value=coef, vary=False)
y_anchors = []
for i in spacing_idx:
if i == 0:
ymin = i
ymax = i + int(len(x) / self.n_anchors)
y_anchors.append(np.median(data[ymin:ymax]))
elif i == len(x) - 1:
ymin = i - int(len(x) / self.n_anchors)
ymax = i
y_anchors.append(np.median(data[ymin:ymax]))
else:
ymin = i - int(len(x) / self.n_anchors)
ymax = i + int(len(x) / self.n_anchors)
y_anchors.append(np.median(data[ymin:ymax]))
for i, coef in enumerate(y_anchors[::1]):
pars['%sy_%i' % (self.prefix, i)].set(value=coef,
min=0,
max=2 * np.max(data))
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""Guess paramneters from a set of data."""
_kb = consts.physical_constants["Boltzmann constant"][
0] / consts.physical_constants["elementary charge"][0]
d1, d2, x0 = 1.0, 0.0, 1.0
yy = np.log(data)
if x is not None:
# Getting a good x_0 is critical, so we first of all use poly fit to look
x0 = x[np.argmin(np.abs(data))] * 0.95
def _find_x0(x, d1, d2, x0):
X = np.where(np.isclose(x, x0), 1e-8, x - x0)
y = d2 - (d1 / X)
return y
popt = curve_fit(_find_x0, x, yy, p0=[1.0 / _kb, 25, x0])[0]
d1, d2, x0 = popt
pars = self.make_params(A=np.exp(d2), DE=_kb * d1, x_0=x0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
r"""Guess some starting values.
M_s is taken as half the difference of the range of thew M data,
we can find m/T from the susceptibility :math:`chi= M_s \mu_o m / kT`,"""
M_s = (np.max(data) - np.min(data)) / 2.0
if x is not None:
d = np.sort(np.row_stack((x, data)))
dd = savgol_filter(d, 7, 1)
yd = dd[1] / dd[0]
chi = np.interp(np.array([0]), d[0], yd)[0]
mT = chi / M_s * (k / mu_0)
# Assume T=150K for no good reason
m = mT * 150
else:
m = 1e6 * (e * hbar) / (2 * electron_mass
) # guess 1 million Bohr Magnetrons
T = 150
pars = self.make_params(M_s=M_s, m=m, T=T)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, x, y, **kwargs):
"""Takes x and y data and generates initial guesses for
fit parameters.
"""
ym = y.min()
yM = y.max()
a_guess = 0.5 * (yM - ym) * 1.2
b_guess = 0.5 * (yM + ym)
t_guess = 0.25 * x[-1]
d_guess = get_freq_from_fft(x, y, b_guess)
x_guess = 0.0
pars = self.make_params(baseline=b_guess, amplitude=a_guess,
T2=t_guess, detuning=d_guess, x0=x_guess)
pars['amplitude'].value = kwargs.pop('amplitude_guess', a_guess)
pars['baseline'].value = kwargs.pop('baseline_guess', b_guess)
pars['T2'].value = kwargs.pop('T2_guess', t_guess)
pars['detuning'].value = kwargs.pop('detuning_guess', d_guess)
pars['x0'].value = kwargs.pop('x0_guess', x_guess)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
"""Guess parameters as gamma=2, H_k=0, M_s~(pi.f)^2/(mu_0^2.H)-H"""
if x is None:
x = np.linspace(1, len(data), len(data) + 1)
x1 = x[np.argmax(data)]
x2 = x[np.argmin(data)]
sigma = abs(x1 - x2)
mu = (x1 + x2) / 2.0
y1 = np.max(data)
y2 = np.min(data)
dy = y1 - y2
A = dy * (4 * np.pi * sigma**2) / (3 * np.sqrt(3))
pars = self.make_params(A=A, sigma=sigma, mu=mu)
pars["A"].min = 0
pars["sigma"].min = 0
pars["mu"].min = np.min(x)
pars["mu"].max = np.max(x)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, h=None, **kwargs):
"""Guess some starting values.
M_s is taken as half the difference of the range of thew M data,
we can find m/T from the susceptibility chi= M_s \mu_o m / kT,"""
from scipy.signal import savgol_filter
from scipy.constants import k, mu_0, e, electron_mass, hbar
M_s = (_np_.max(data) - _np_.min(data)) / 2.0
if h is not None:
d = _np_.sort(_np_.row_stack((h, data)))
dd = savgol_filter(d, 7, 1)
yd = dd[1] / dd[0]
chi = _np_.interp(_np_.array([0]), d[0], yd)[0]
mT = chi / M_s * (k / mu_0)
#Assume T=150K for no good reason
m = mT * 150
else:
m = 1E6 * (e * hbar) / (2 * electron_mass
) # guess 1 million Bohr Magnetrons
T = 150
pars = self.make_params(M_s=M_s, m=m, T=T)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, **kwargs):
r"""Guess parameters as :math:`\gamma=2, H_k=0, M_s~(\pi f)^2/\mu_0^2.H)-H`."""
if x is None:
x = np.linspace(1, len(data), len(data) + 1)
x1 = x[np.argmax(data)]
x2 = x[np.argmin(data)]
Delta_H = abs(x1 - x2)
H_res = (x1 + x2) / 2.0
y1 = np.max(data)
y2 = np.min(data)
dy = y1 - y2
K_2 = dy * (4 * np.pi * Delta_H**2) / (3 * np.sqrt(3))
ay = (y1 + y2) / 2
K_1 = ay * np.pi / Delta_H
pars = self.make_params(Delta_H=Delta_H, H_res=H_res, K_1=K_1, K_2=K_2)
pars["K_1"].min = 0
pars["K_2"].min = 0
pars["Delta_H"].min = 0
pars["H_res"].min = np.min(x)
pars["H_res"].max = np.max(x)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, V=None, **kwargs):
"""Just set the A, phi,dphi,d and mass values to typical answers for a small tunnel junction"""
pars = self.make_params(A=1E-12,phi=3.0,d=10.0,dphi=1.0,mass=1.0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, V=None, **kwargs):
"""Just set the A, phi and d values to typical answers for a small tunnel junction"""
pars = self.make_params(A=_np_.mean(data/V))
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, V=None, **kwargs):
"""Guess starting values for a good Nb contact to a ferromagnet at 4.2K"""
pars = self.make_params(omega=0.36,delta=1.50,P=0.42,Z=0.15)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, t=None, **kwargs):
"""Guess some starting values - not very clever"""
pars = self.make_params(l=10.0,p=0.5,sigma_0=10.0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, t=None, **kwargs):
"""Guess some starting values - not very clever"""
pars = self.make_params(thetaD=900,rho0=0.01,A=0.2,n=5.0)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, x=None, negative=False, **kwargs):
pars = guess_from_peak_2D(self, data, x, negative, ampscale=1., amp_area=False)
return update_param_vals(pars, self.prefix, **kwargs)
def guess(self, data, **kwargs):
pars = self.make_params()
pars['%sc' % self.prefix].set(value=data.mean())
return update_param_vals(pars, self.prefix, **kwargs)