def fix_spe(spe_file):
entry = NXentry()
entry.title = spe_file.nxname
entry.incident_energy = spe_file['data/NXSPE_info/fixed_energy']
entry.data = spe_file.data.data
entry.data.error.rename('errors')
s = raw_input("Emin Emax Phimin Phimax dPhi: ")
xmin, xmax, ymin, ymax, dy = [float(i) for i in s.split(' ')]
mfit(entry.data, xmin, xmax, ymin, ymax, dy)
return entry
def fix_spe(spe_file):
entry = NXentry()
entry.title = spe_file.nxname
entry.incident_energy = spe_file['data/NXSPE_info/fixed_energy']
entry.data = spe_file.data.data
entry.data.error.rename('errors')
s = raw_input("Emin Emax Phimin Phimax dPhi: ")
xmin, xmax, ymin, ymax, dy = [float(i) for i in s.split(' ')]
mfit(entry.data, xmin, xmax, ymin, ymax, dy)
return entry
def NXspectrum(self, eps=None, sigma=None, T=None, Hx=None, Hz=None):
"""Returns the neutron scattering cross section as a NXentry group"""
from nexusformat.nexus import NXfield, NXentry, NXsample, NXdata
if T is None:
T = self.T
S = self.spectrum(eps, sigma, T, Hx, Hz)
entry = NXentry()
entry.title = "Crystal Field Spectra for %s at %s K" % (self.title, T)
entry.sample = NXsample()
entry.sample.temperature = T
entry.sample.temperature.units = "K"
entry.data = NXdata(NXfield(S, name="intensity", units="mb/sr/meV"),
NXfield(eps, name="energy_transfer", units="meV"))
return entry
def get_nxspe(self):
spe_file = nxload(self.import_file)
entry = NXentry()
entry.title = self.get_title()
Ei = self.get_energy()
if Ei and Ei > 0.0:
entry.instrument = NXinstrument()
entry.instrument.monochromator = NXmonochromator(
NXfield(Ei, name="incident_energy", units="meV"))
entry.data = spe_file.NXentry[0].data
entry.data.nxsignal = entry.data.data
if 'energy' in entry.data.entries:
entry.data.energy.rename('energy_transfer')
entry.data.nxaxes = [entry.data.polar, entry.data.energy_transfer]
if 'error' in entry.data.entries:
entry.data.error.rename('errors')
return entry
def get_spe(self, phxfile=None):
entry = NXentry()
phi, omega, spw, errors = readspe(self.get_filename())
if phxfile:
theta, phi, dtheta, dpsi = readphx(phxfile)
phip, psi = angles(theta, phi)
instrument = NXinstrument(NXdetector())
instrument.detector.polar_angle = NXfield(theta, units="degrees")
Ei = self.get_energy()
if Ei and Ei > 0.0:
instrument.monochromator = NXmonochromator(
NXfield(Ei, name="incident_energy", units="meV"))
if phi.ptp() > 1.0: # i.e., the azimuthal angle is specified
instrument.detector.azimuthal_angle = NXfield(
phi, units="degrees")
instrument.detector.rotation_angle = NXfield(
phip, units="degrees")
instrument.detector.tilt_angle = NXfield(psi, units="degrees")
data = NXdata(
NXfield(
spw, name="intensity",
long_name="Neutron Intensity"),
(
NXfield(
np.arange(1, len(theta) + 1),
name="spectrum_index",
long_name="Spectrum Index"),
NXfield(
omega, name="energy_transfer", units="meV",
long_name="Energy Transfer")),
errors=NXfield(
np.sqrt(errors),
name="errors", long_name="Errors"))
if np.median(dtheta) > 0.0 and np.median(dpsi) > 0.0:
data2D = rebin2D(
spw, phip, psi, omega, np.median(dtheta),
np.median(dpsi))
return NXentry(instrument, data, data2D=data2D)
else:
return NXentry(instrument, data)
else:
phi = np.zeros(theta.size+1)
phi[:-1] = theta - 0.5*dtheta
phi[-1] = theta[-1] + 0.5*dtheta[-1]
data = NXdata(
NXfield(
spw, name="intensity",
long_name="Neutron Intensity"),
(
NXfield(
phi, name="polar_angle",
long_name="Polar Angle", units="degrees"),
NXfield(
omega, name="energy_transfer", units="meV",
long_name="Energy Transfer")),
errors=NXfield(
np.sqrt(errors),
name="errors", long_name="Errors"))
return NXentry(instrument, data)
else:
Ei = self.get_energy()
if Ei and Ei > 0.0:
entry = NXentry(
NXinstrument(
NXmonochromator(
NXfield(
Ei, name="incident_energy",
units="meV"))))
else:
entry = NXentry()
if phi.ptp() > 1.0:
entry.data = NXdata(
NXfield(spw, name="intensity",
long_name="Neutron Intensity"),
(NXfield(phi, name="polar_angle", units="degrees",
long_name="Polar Angle"),
NXfield(omega, name="energy_transfer", units="meV",
long_name="Energy Transfer")),
errors=NXfield(np.sqrt(errors), name="errors",
long_name="Errors"))
else:
entry.data = NXdata(
NXfield(spw, name="intensity",
long_name="Neutron Intensity"),
(NXfield(np.arange(1, len(phi)+1), name="spectrum_index",
long_name="Spectrum Index"),
NXfield(omega, name="energy_transfer", units="meV",
long_name="Energy Transfer")),
errors=NXfield(np.sqrt(errors), name="errors",
long_name="Errors"))
return entry