def main(energy, grating_pitch, intergrating_distance, min_diameter,
max_diameter, diameter_step, volume_fraction, sphere_material,
sphere_density, background_material, background_density, output,
sampling, verbose):
if verbose:
config_dictionary['handlers']['default']['level'] = 'DEBUG'
config_dictionary['loggers']['']['level'] = 'DEBUG'
logging.config.dictConfig(config_dictionary)
wavelength = (constants.physical_constants["Planck constant in eV s"][0] *
constants.c / (energy * 1e3))
diameters = np.arange(min_diameter, max_diameter, diameter_step)
delta_sphere, beta_sphere, _ = xdb.xray_delta_beta(sphere_material,
sphere_density,
energy * 1e3)
delta_background, beta_background, _ = xdb.xray_delta_beta(
background_material, background_density, energy * 1e3)
delta_chi_squared = ((delta_sphere - delta_background)**2 +
(beta_sphere - beta_background)**2)
autocorrelation_length = wavelength * intergrating_distance / grating_pitch
real_space_sampling = np.linspace(
-4 * autocorrelation_length,
4 * autocorrelation_length,
sampling,
endpoint=False,
)
output_csv = csv.writer(output)
output_csv.writerow(["diameter", "dfec"])
for diameter in diameters:
dfec = saxs.dark_field_extinction_coefficient(
wavelength, grating_pitch, intergrating_distance, diameter,
volume_fraction, delta_chi_squared, real_space_sampling)
output_csv.writerow([diameter, dfec])
def main(
energy,
grating_pitch,
intergrating_distance,
min_diameter,
max_diameter,
diameter_step,
volume_fraction,
sphere_material,
sphere_density,
background_material,
background_density,
output,
sampling,
verbose
):
if verbose:
config_dictionary['handlers']['default']['level'] = 'DEBUG'
config_dictionary['loggers']['']['level'] = 'DEBUG'
logging.config.dictConfig(config_dictionary)
wavelength = (constants.physical_constants["Planck constant in eV s"][0] *
constants.c / (energy * 1e3))
diameters = np.arange(min_diameter, max_diameter, diameter_step)
delta_sphere, beta_sphere, _ = xdb.xray_delta_beta(
sphere_material,
sphere_density,
energy * 1e3)
delta_background, beta_background, _ = xdb.xray_delta_beta(
background_material,
background_density,
energy * 1e3)
delta_chi_squared = (
(delta_sphere - delta_background) ** 2 +
(beta_sphere - beta_background) ** 2
)
autocorrelation_length = wavelength * intergrating_distance / grating_pitch
real_space_sampling = np.linspace(
-4 * autocorrelation_length,
4 * autocorrelation_length,
sampling,
endpoint=False,
)
output_csv = csv.writer(output)
output_csv.writerow(["diameter", "dfec"])
for diameter in diameters:
dfec = saxs.dark_field_extinction_coefficient(
wavelength,
grating_pitch,
intergrating_distance,
diameter,
volume_fraction,
delta_chi_squared,
real_space_sampling
)
output_csv.writerow([diameter, dfec])
def main(folder, height_map_left, height_map_right, output):
input_files = sorted(glob(os.path.join(folder, "*.tif")))
thickness = tifffile.imread(height_map_right) - tifffile.imread(
height_map_left)
darks = input_files[1:30]
flats = input_files[30:130]
first_projection = input_files[130]
print(darks[0], darks[-1])
dark = np.median(np.dstack(
tifffile.imread(filename) for filename in darks),
axis=-1)
print(dark.shape)
print(flats[0], flats[-1])
print(first_projection)
flat = np.median(np.dstack(
tifffile.imread(filename) for filename in flats),
axis=-1)
first_projection = tifffile.imread(first_projection)
print(flat.shape)
print(first_projection.shape)
a = (first_projection - dark) / (flat - dark)
t = 3400
d = 0.18
pixel_size = 0.65e-6
mu = -np.log(a[:, :thickness.shape[1]]) / (t * d * pixel_size)
np.save(output, mu)
_, _, atlen = xdb.xray_delta_beta("CH12", 2, 10e3)
mu_theory = 1 / (atlen * 1e-2)
print(np.median(mu), np.std(mu))
print(mu_theory)
def save_beta_delta(material, density, output):
output_csv = csv.writer(output)
output_csv.writerow(["energy", "delta", "beta", "atlen"])
for energy in range(2, 250):
delta, beta, atlen = xdb.xray_delta_beta(material, density,
energy * 1e3)
output_csv.writerow([energy, delta, beta, atlen])
def main(
energy,
grating_pitch,
intergrating_distance,
min_diameter,
max_diameter,
diameter_step,
volume_fraction,
sphere_material,
sphere_density,
background_material,
background_density,
output
):
wavelength = (constants.physical_constants["Planck constant in eV s"][0] *
constants.c / (energy * 1e3))
diameters = np.arange(min_diameter, max_diameter, diameter_step)
delta_sphere, beta_sphere, _ = xdb.xray_delta_beta(
sphere_material,
sphere_density,
energy * 1e3)
delta_background, beta_background, _ = xdb.xray_delta_beta(
background_material,
background_density,
energy * 1e3)
delta_chi_squared = ((delta_sphere - delta_background) ** 2 +
(beta_sphere - beta_background) ** 2)
dfec = lynch.dark_field_extinction_coefficient(
wavelength,
grating_pitch,
intergrating_distance,
diameters,
volume_fraction,
delta_chi_squared
)
output_csv = csv.writer(output)
output_csv.writerow(["diameter", "dfec"])
for diameter, mu in zip(diameters, dfec):
output_csv.writerow([diameter, mu])
def calculate_spectrum(spectrum_file, design_energy, talbot_order, output):
spectrum = np.loadtxt(spectrum_file, delimiter=",", skiprows=1)
output_csv = csv.writer(output)
output_csv.writerow([
"energy", "photons", "n_squared", "beta", "visibility",
"detector_efficiency", "total_weight", "total_weight_no_vis"
])
for energy, photons in spectrum:
visibility = 2 / np.pi * np.fabs(
np.sin(np.pi / 2 * design_energy / energy)**2 *
np.sin(talbot_order * np.pi / 2 * design_energy / energy))
delta, beta, sample_atlen = xdb.xray_delta_beta(
'CH12', 1.05, energy * 1e3)
delta_air, beta_air, _ = xdb.xray_delta_beta('N2', 1.27e-3,
energy * 1e3)
_, _, plastic_atlen = xdb.xray_delta_beta('C2H4', 1.1, energy * 1e3)
_, _, al_atlen = xdb.xray_delta_beta('Al', 2.7, energy * 1e3)
_, _, si_atlen = xdb.xray_delta_beta('Si', 2.33, energy * 1e3)
_, _, au_atlen = xdb.xray_delta_beta('Au', 11.34, energy * 1e3)
detector_thickness = 0.0450
detector_thickness = 2
detector_efficiency = 1 - np.exp(-detector_thickness / si_atlen)
other_absorption = (
np.exp(-0.2 / plastic_atlen) * np.exp(-0.0016 / al_atlen) *
np.exp(-0.00194 / au_atlen)) # detector window, holders...
total_weight_no_vis = (photons * other_absorption *
detector_efficiency)
total_weight = total_weight_no_vis * visibility
n_squared = (delta - delta_air)**2 + (beta - beta_air)**2
output_csv.writerow([
energy, photons, n_squared, beta, visibility, detector_efficiency,
total_weight, total_weight_no_vis
])
def main(energy, grating_pitch, intergrating_distance, min_diameter,
max_diameter, diameter_step, volume_fraction, sphere_material,
sphere_density, background_material, background_density, output):
wavelength = (constants.physical_constants["Planck constant in eV s"][0] *
constants.c / (energy * 1e3))
diameters = np.arange(min_diameter, max_diameter, diameter_step)
delta_sphere, beta_sphere, _ = xdb.xray_delta_beta(sphere_material,
sphere_density,
energy * 1e3)
delta_background, beta_background, _ = xdb.xray_delta_beta(
background_material, background_density, energy * 1e3)
delta_chi_squared = ((delta_sphere - delta_background)**2 +
(beta_sphere - beta_background)**2)
dfec = lynch.dark_field_extinction_coefficient(wavelength, grating_pitch,
intergrating_distance,
diameters, volume_fraction,
delta_chi_squared)
output_csv = csv.writer(output)
output_csv.writerow(["diameter", "dfec"])
for diameter, mu in zip(diameters, dfec):
output_csv.writerow([diameter, mu])
def calculate_spectrum(spectrum_file, design_energy, talbot_order,
thickness, additional_filter_material,
additional_filter_density,
additional_filter_thickness, output):
spectrum = np.loadtxt(spectrum_file, delimiter=",", skiprows=1)
output_csv = csv.writer(output)
output_csv.writerow(
["energy", "photons", "n_squared", "beta", "visibility",
"detector_efficiency", "absorbed_in_sample", "total_weight",
"total_weight_no_vis"])
for energy, photons in spectrum:
visibility = 2 / np.pi * np.fabs(
np.sin(np.pi / 2 * design_energy / energy)**2 *
np.sin(talbot_order * np.pi / 2 * design_energy / energy))
delta, beta, sio2_atlen = xdb.xray_delta_beta(
'SiO2', 2.65, energy * 1e3)
delta_air, beta_air, _ = xdb.xray_delta_beta(
'N2', 1.27e-3, energy * 1e3)
_, _, plastic_atlen = xdb.xray_delta_beta(
'C2H4', 1.1, energy * 1e3)
_, _, al_atlen = xdb.xray_delta_beta(
'Al', 2.7, energy * 1e3)
_, _, si_atlen = xdb.xray_delta_beta('Si', 2.33, energy * 1e3)
_, _, au_atlen = xdb.xray_delta_beta('Au', 11.34, energy * 1e3)
detector_efficiency = 1 - np.exp(-2 / si_atlen)
absorbed_in_sample = np.exp(-thickness / sio2_atlen)
other_absorption = (
np.exp(-0.2 / plastic_atlen) *
np.exp(-0.0016 / al_atlen) *
np.exp(-0.00194 / au_atlen)
) # detector window, holders...
if additional_filter_material:
_, _, filter_atlen = xdb.xray_delta_beta(
additional_filter_material,
additional_filter_density,
energy * 1e3)
photons *= np.exp(
-additional_filter_thickness / filter_atlen)
total_weight_no_vis = (
photons *
other_absorption *
detector_efficiency *
absorbed_in_sample
)
total_weight = total_weight_no_vis * visibility
n_squared = (delta - delta_air) ** 2 + (beta - beta_air) ** 2
output_csv.writerow(
[energy, photons, n_squared, beta, visibility,
detector_efficiency, absorbed_in_sample,
total_weight, total_weight_no_vis]
)
import csv
import numpy as np
from nist_lookup import xraydb_plugin as xdb
with open("efficiency_table.csv", "w") as outfile:
writer = csv.writer(outfile)
writer.writerow(["energy", "Si", "CdTe"])
for energy in range(10, 120):
_, _, si_atlen = xdb.xray_delta_beta("Si", 2.33, energy * 1e3)
_, _, cdte_atlen = xdb.xray_delta_beta("CdTe", 5.85, energy * 1e3)
si_e = 1 - np.exp(-0.075 / si_atlen)
cdte_e = 1 - np.exp(-0.075 / cdte_atlen)
writer.writerow([energy, si_e, cdte_e])
def main(
energy,
grating_pitch,
intergrating_distance,
diameter,
min_volume_fraction,
max_volume_fraction,
volume_fraction_steps,
sphere_material,
sphere_density,
background_material,
background_density,
output,
sampling,
verbose
):
if verbose:
config_dictionary['handlers']['default']['level'] = 'DEBUG'
config_dictionary['loggers']['']['level'] = 'DEBUG'
logging.config.dictConfig(config_dictionary)
wavelength = (constants.physical_constants["Planck constant in eV s"][0] *
constants.c / (energy * 1e3))
volume_fractions = np.linspace(
min_volume_fraction,
max_volume_fraction,
volume_fraction_steps
)
delta_sphere, beta_sphere, _ = xdb.xray_delta_beta(
sphere_material,
sphere_density,
energy * 1e3)
delta_background, beta_background, _ = xdb.xray_delta_beta(
background_material,
background_density,
energy * 1e3)
delta_chi_squared = (
(delta_sphere - delta_background) ** 2 +
(beta_sphere - beta_background) ** 2
)
autocorrelation_length = wavelength * intergrating_distance / grating_pitch
real_space_sampling = np.linspace(
-4 * autocorrelation_length,
4 * autocorrelation_length,
sampling,
endpoint=False,
)
output_csv = csv.writer(output)
output_csv.writerow(
["volume_fraction", "lynch", "saxs", "saxs hard spheres"]
)
for volume_fraction in volume_fractions:
saxs = structure_factors.saxs.dark_field_extinction_coefficient(
wavelength,
grating_pitch,
intergrating_distance,
diameter,
volume_fraction,
delta_chi_squared,
real_space_sampling
)
lynch = structure_factors.lynch.dark_field_extinction_coefficient(
wavelength,
grating_pitch,
intergrating_distance,
diameter,
volume_fraction,
delta_chi_squared,
)
saxs_hard_spheres = (
structure_factors.saxs.dark_field_extinction_coefficient(
wavelength,
grating_pitch,
intergrating_distance,
diameter,
volume_fraction,
delta_chi_squared,
real_space_sampling,
structure_factors.saxs.hard_sphere_structure_factor
))
output_csv.writerow([volume_fraction, lynch, saxs, saxs_hard_spheres])
default="deltas_table.npy",
help="destination file for the npy table")
parser.add_argument("-b",
"--batch",
action="store_true",
help="don't show the plot")
parser.add_argument("-o",
"--overwrite",
action="store_true",
help="overwrite output file")
if __name__ == '__main__':
file_name = "deltas_table.npy"
args = parser.parse_args()
if os.path.exists(file_name) and not args.overwrite:
deltas = np.load(file_name)
else:
deltas = np.array([[
xdb.xray_delta_beta(mat["formula"], mat["density"], e * 1e3)[0]
for mat in materials
] for e in energies])
np.save(file_name, deltas)
if not args.batch:
plt.plot(energies, deltas[..., 1] / deltas[..., 0])
plt.plot(energies, deltas[..., 2] / deltas[..., 0])
plt.ion()
plt.show()
input()
"-b", "--batch",
action="store_true",
help="don't show the plot")
parser.add_argument(
"-o", "--overwrite",
action="store_true",
help="overwrite output file")
if __name__ == '__main__':
file_name = "deltas_table.npy"
args = parser.parse_args()
if os.path.exists(file_name) and not args.overwrite:
deltas = np.load(file_name)
else:
deltas = np.array([[
xdb.xray_delta_beta(
mat["formula"],
mat["density"],
e * 1e3)[0]
for mat in materials]
for e in energies
])
np.save(file_name, deltas)
if not args.batch:
plt.plot(energies, deltas[..., 1] / deltas[..., 0])
plt.plot(energies, deltas[..., 2] / deltas[..., 0])
plt.ion()
plt.show()
input()
def delta_beta_nist(material, energy, rho=0, photo_only=False):
"""
Calculate delta and beta values for given material and energy, based
on the 'nist_lookup' package.
Parameters
==========
material: chemical formula ('Fe2O3', 'CaMg(CO3)2', 'La1.9Sr0.1CuO4')
energy: x-ray energy [keV]
rho: density in [g/cm3], default=0 (no density given)
photo_only: boolean for returning photo cross-section component only,
default=False
Returns
=======
(delta, beta, rho)
where
delta: real part of index of refraction
beta: complex part of index of refraction
rho: density in [g/cm3]
Notes
=====
If the material is not listed at
'http://x-server.gmca.aps.anl.gov/cgi/www_dbli.exe', the density must be
given manually and an error is raised.
Examples
========
delta_beta_nist('Au', 30)
(3.5424041819846902e-06, 1.712907107947311e-07, 19.3)
delta_beta_nist('Au', [30,35,46])
(array([ 3.54036290e-06, 2.59984680e-06, 1.49671119e-06]),
array([ 1.71290711e-07, 9.71481951e-08, 3.61364422e-08]),
19.3)
"""
energy = np.array(energy)
logger.debug('Material is "{}", energy is {} keV.'.format(material,
energy))
if photo_only:
logger.debug('Only consider photo cross-section component.')
else:
logger.debug('Consider total cross-section.')
if rho is not 0:
logger.debug('Density entered manually: rho = {}'.format(rho))
[delta, beta, attenuation_length] = xdb.xray_delta_beta(material, rho,
energy*1e3,
photo_only)
logger.debug('delta: {},\tbeta: {},\tattenuation length: {}'.format(
delta, beta, attenuation_length))
else:
logger.debug('Retrieve density (rho) from'
'"http://x-server.gmca.aps.anl.gov/cgi/www_dbli.exe"')
rho = density(material)
logger.debug('Density calculated: rho = {}'.format(rho))
[delta, beta, attenuation_length] = xdb.xray_delta_beta(material, rho,
energy*1e3,
photo_only)
logger.debug('delta: {},\tbeta: {},\tattenuation length: {}'.format(
delta, beta, attenuation_length))
return delta, beta, rho
