Risø Conference Proceedings 2026 - lab source - LM optimizer#
This notebook contains the accompanying processing code for the grazing-indidence case to support the Risø Conference Proceedings 2026 paper:
Ball, J. A. D., Andreasen, J. W., Angelis, S. D., Wright, J. P., & Detlefs, C. (2026, July 9). Multi-Beam 3DXRD. IOP Conference Series: Materials Science and Engineering. 46th Risø International Symposium on Materials Science: Characterization of evolving microstructures in metals, DTU Risø Campus, Roskilde, Denmark. Accepted for publication.
This notebook is very similar to the general lab case, but we use a Levenberg–Marquardt approach to optimize much faster.
[1]:
import anri.utils
anri.utils.setup() # before any JAX computation: don't grab most of the GPU memory at start-up
import jax
jax.config.update("jax_enable_x64", True) # required for accuracy, especially strains
import jax.numpy as jnp
import time
from functools import partial
import scipy
from scipy.spatial.transform import Rotation
from matplotlib import pyplot as plt
import ImageD11.grain
import ImageD11.unitcell
import ImageD11.indexing
from xfab.symmetry import ROTATIONS, Umis
from ImageD11.nbGui.nb_utils import plot_grain_positions, plot_all_ipfs
import Dans_Diffraction
import anri.crystal, anri.diffract, anri.geom, anri.fwd, anri.io
start = time.time()
Constants#
[2]:
### BEAM
# Energies in eV
# https://xdb.lbl.gov/Section1/Table_1-2.pdf
k_alpha_1_eV = 24209.7
k_alpha_2_eV = 24002.0
def eV_to_wavelength_A(energy_eV):
# L = hc/E
# Must convert eV to Joules first
wavelength_A = (scipy.constants.h * scipy.constants.c)/(scipy.constants.e*energy_eV)*1e10
return wavelength_A
k_alpha_1_A = eV_to_wavelength_A(k_alpha_1_eV)
k_alpha_2_A = eV_to_wavelength_A(k_alpha_2_eV)
k_alpha_1_A, k_alpha_2_A
[2]:
(0.5121261247896515, 0.5165577803233076)
Crystallography#
We’ll start with HCP Ti
[3]:
xtl = Dans_Diffraction.Crystal("../../../tests/data/cif/Ti.cif")
lpars = anri.crystal.structure.lattice_parameters(xtl)
sg = anri.crystal.structure.space_group(xtl)
B = anri.crystal.structure.B_matrix(lpars)
lpars, sg
[3]:
(array([ 2.93573192, 2.93573192, 4.64085615, 90. ,
90. , 120. ]),
194)
We generate some HKLs. This needs a single wavelength supplied to compute the \(2\theta\) angles for the reflections table, but it won’t be directly used here.
[4]:
refl = anri.crystal.structure.reflections(lpars, sg, k_alpha_1_A, 1.0)
F2 = anri.crystal.structure.structure_factors(xtl, refl["hkl"], k_alpha_1_A)
strong = F2 > 0.01 # drop the reflections the atom positions extinguish
hkls = refl["hkl"][strong]
len(hkls)
/tmp/ipykernel_3889/2922127172.py:2: UserWarning: No isotropic thermal factors (U_iso or B_iso) for Ti: intensities have no Debye-Waller attenuation.
F2 = anri.crystal.structure.structure_factors(xtl, refl["hkl"], k_alpha_1_A)
[4]:
106
Phantom sample#
Let’s define our phantom sample.
We define everything in the sample coordinate system (on top of the goniometer).
We’ll randomly generate some grains within a box.
[5]:
rng = 28 # chosen by fair dice roll, guaranteed to be random
key = jax.random.key(rng)
n_grains = 450
### Positions
sample_width = 1000.0
translations_sample = jax.random.uniform(key, shape=(n_grains,3,), minval=-sample_width/2, maxval=sample_width/2)
### Orientations
U_matrices = Rotation.random(n_grains, rng=rng).as_matrix()
UB_matrices = U_matrices @ B
UBI_matrices = jnp.linalg.inv(UB_matrices)
### Volumes - just for visualisation purposes!
radii_sigma = 0.2
radii_mean = 100.0
radii = jax.random.lognormal(key, shape=(n_grains,), sigma=radii_sigma) * radii_mean
volumes = (4./3)*jnp.pi*(radii**3)
We can use ImageD11 to plot this phantom.
[6]:
ref_unitcell = ImageD11.unitcell.unitcell(lpars, symmetry=sg)
grains = [ImageD11.grain.grain(UBI_matrices[i], translation=translations_sample[i]) for i in range(n_grains)]
for i, g in enumerate(grains):
g.ref_unitcell = ref_unitcell
g.intensity_info = f"mean = {volumes[i]}"
plot_grain_positions(grains, 'z', size_scaling=0.1)
plot_all_ipfs(grains)
Forward projection#
Now we can generate our scattering vectors and translate them into the lab frame, then into the detector.
This will yield centroids, which are arrays of
[slow, fast, omega] which represent the centre-of-mass positions of the peaks on the detector surface.We must define our goniometer and detector positions:
[7]:
### Goniometer
wedge = 0.0
chi = 0.0
y0 = 0.0
### Detector, with ImageD11's parameter names
pars = {
"y_center": 2048.0,
"z_center": 2048.0,
"y_size": 100.0,
"z_size": 100.0,
"tilt_x": 0.0,
"tilt_y": 0.0,
"tilt_z": 0.0,
"distance": 515e3,
"o11": 1,
"o12": 0,
"o21": 0,
"o22": 1,
}
# not official parameters but useful for plotting later
det_size_s = 4096
det_size_f = 4096
# Change-of-basis from detector to lab space (det_trans, beam_cen_shift, x_distance_shift),
# and the detector's pixel steps (slow, fast) and pixel (0, 0) in the lab frame:
det = anri.io.imaged11.detector_from_pars(pars)
det_trans, beam_cen_shift, x_distance_shift = det["det_trans"], det["beam_cen_shift"], det["x_distance_shift"]
s_step_lab, f_step_lab, det_origin_lab = det["s_step_lab"], det["f_step_lab"], det["det_origin_lab"]
[8]:
# we get both Friedel solutions (etasign = +1 and -1) from one call: centroids are [n_hkls, n_grains, 2, 3]
# we also get boolean masks for validity - sometimes no solution exists for the Ewald condition, so we never see the peak.
# unit beam wavevector, lab frame
k_in_lab_hat = jnp.array([1., 0, 0,])
centroid_a1, valid_a1 = anri.fwd.box.get_centroid_box_all_both(UBI_matrices, translations_sample,
hkls,
k_alpha_1_A, k_in_lab_hat, 0, 0,
wedge, chi,
s_step_lab, f_step_lab, det_origin_lab)
centroid_a2, valid_a2 = anri.fwd.box.get_centroid_box_all_both(UBI_matrices, translations_sample,
hkls,
k_alpha_2_A, k_in_lab_hat, 0, 0,
wedge, chi,
s_step_lab, f_step_lab, det_origin_lab)
# keep the valid peaks as (N, 3): first all the etasign = +1 peaks, then all the etasign = -1 peaks
centroid_a1 = jnp.concatenate([centroid_a1[:, :, 0][valid_a1], centroid_a1[:, :, 1][valid_a1]])
centroid_a2 = jnp.concatenate([centroid_a2[:, :, 0][valid_a2], centroid_a2[:, :, 1][valid_a2]])
# mask to detector pixel range
m_a1 = (centroid_a1[:, 0] > 0) & (centroid_a1[:, 0] < det_size_s) & (centroid_a1[:, 1] > 0) & (centroid_a1[:, 1] < det_size_f)
m_a2 = (centroid_a2[:, 0] > 0) & (centroid_a2[:, 0] < det_size_s) & (centroid_a2[:, 1] > 0) & (centroid_a2[:, 1] < det_size_f)
centroid_a1 = centroid_a1[m_a1]
centroid_a2 = centroid_a2[m_a2]
[9]:
fig, axs = plt.subplots(1, 2, figsize=(12,20), constrained_layout=True)
axs[0].scatter(centroid_a1[:, 1], centroid_a1[:, 0], label=r'$K_{\alpha_{1}}$ peaks', s=2)
axs[0].scatter(centroid_a2[:, 1], centroid_a2[:, 0], label=r'$K_{\alpha_{2}}$ peaks', s=2)
axs[0].set_aspect(1)
axs[0].set(xlabel='Detector fast', ylabel='Detector slow', title='Whole detector view')
axs[0].legend(loc='upper right')
axs[1].scatter(centroid_a1[:, 1], centroid_a1[:, 0], label=r'$K_{\alpha_{1}}$ peaks', s=2)
axs[1].scatter(centroid_a2[:, 1], centroid_a2[:, 0], label=r'$K_{\alpha_{2}}$ peaks', s=2)
axs[1].set_aspect(1)
axs[1].set(xlabel='Detector fast', ylabel='Detector slow', xlim=(890, 940), ylim=(890, 940), title='Detail view')
axs[1].legend(loc='upper right')
plt.show()
Scattering vector identification#
With the peaks forward-projected onto the detector, we now ‘forget’ which wavelength each peak came from.
We compute scattering vectors in the sample frame for all peaks, twice, assuming each wavelength.
We also forget the origin of diffraction of each centroid.
[10]:
centroid = jnp.concatenate([centroid_a1, centroid_a2])
Simulating experimental error#
We now make a sensible effort to “spoil” the measured centroids to account for experimental errors.
This can be done more accurately (and will be in the future when we simulate intensity profiles on the detector) but to first order this should be a reasonable approach.
[11]:
def spoil_centroids(centroids, width_px, width_omega):
npks = centroids.shape[0]
px_error_vector = jax.random.uniform(key, shape=(npks,2), minval=-width_px/2, maxval=width_px/2)
omega_error_vector = jax.random.uniform(key, shape=(npks,), minval=-width_omega/2, maxval=width_omega/2)
error_vector = jnp.column_stack((px_error_vector, omega_error_vector))
centroids = centroids + error_vector
return centroids
ostep = 0.1 # realistic omega step
centroid_with_error = spoil_centroids(centroid, 1.0, ostep)
[12]:
fig, axs = plt.subplots(1, 2, figsize=(12,20), constrained_layout=True)
axs[0].scatter(centroid[:, 1], centroid[:, 0], label=r'Peaks without error')
axs[0].scatter(centroid_with_error[:, 1], centroid_with_error[:, 0], s=10, label=r'Peaks with error')
axs[0].set_aspect(1)
axs[0].set(xlabel='Detector fast', ylabel='Detector slow', title='Whole detector view')
axs[0].legend(loc='upper right')
axs[1].scatter(centroid[:, 1], centroid[:, 0], label=r'Peaks without error')
axs[1].scatter(centroid_with_error[:, 1], centroid_with_error[:, 0], s=10, label=r'Peaks with error')
axs[1].set_aspect(1)
axs[1].set(xlabel='Detector fast', ylabel='Detector slow', xlim=(890, 940), ylim=(890, 940), title='Detail view')
axs[1].legend(loc='upper right')
plt.show()
Backward projection#
We can now project backwards from detector space to scattering vectors in sample space \(\mathbf{g_s}\)
[13]:
# All these primitive functions are written for single vectors
# We write the overall function for a single vector, then vmap it over many vectors for speed:
@jax.jit
def detector_to_q(slow, fast, omega, wavelength, k_in_lab_hat, origin_sample):
# peak vector in lab frame
peak_lab = anri.geom.detector.det_to_lab(slow, fast, det_trans, beam_cen_shift, x_distance_shift)
# rotate origin into sample frame
origin_lab = anri.geom.gonio.sample_to_lab(origin_sample, omega, wedge, chi, 0.0, 0.0)
# convert peak vector to k_out, subtracts off the origin
k_out_lab_norm = anri.diffract.scatter.peak_lab_to_k_out(peak_lab, origin_lab, wavelength)
# normalise k_in by wavelength
k_in_lab_norm = anri.diffract.scatter.scale_norm_k(k_in_lab_hat, wavelength)
# simply q = k_out - k_in
q_lab = anri.diffract.scatter.k_to_q_lab(k_in_lab_norm, k_out_lab_norm)
# rotate into sample frame
q_sample = anri.geom.gonio.lab_to_sample(q_lab, omega, wedge, chi, 0.0, 0.0)
return q_sample
# the vmap operation
detector_to_q_vec = jax.vmap(detector_to_q, in_axes=(0, 0, 0, 0, 0, None))
[14]:
# Compute scattering vectors for all peaks assuming each wavelength
kvecs = jnp.broadcast_to(k_in_lab_hat, centroid_with_error.shape)
wavelengths_a1 = jnp.full(centroid_with_error.shape[0], k_alpha_1_A)
wavelengths_a2 = jnp.full(centroid_with_error.shape[0], k_alpha_2_A)
q_sample_a1 = detector_to_q_vec(centroid_with_error[:, 0], centroid_with_error[:, 1], centroid_with_error[:, 2], wavelengths_a1, kvecs, jnp.array([0., 0., 0.]))
q_sample_a2 = detector_to_q_vec(centroid_with_error[:, 0], centroid_with_error[:, 1], centroid_with_error[:, 2], wavelengths_a2, kvecs, jnp.array([0., 0., 0.]))
k-d tree search#
We now construct a k-d tree in sample space.
The idea is that half of the observed scattering vectors will be correctly computed with \(\lambda = K_{\alpha_{1}}\), and the other half will be correctly computed with \(\lambda = K_{\alpha_{2}}\).
As these duplicated scattering vectors come from a single set of reciprocal lattice points, the two datasets should ‘overlap’ if and only if the wavelength was correctly chosen for a given scattering vector. We look for ‘overlapping’ (i.e. duplicate) scattering vectors in sample space using a k-d tree.
In practice, we first do this via a sparse distance matrix with a large distance tolerance, to determine where the sensible cutoff should be:
[15]:
kd_a2 = scipy.spatial.cKDTree(q_sample_a2)
# Find the pairs
distances, indices = kd_a2.query(q_sample_a1, k=1, distance_upper_bound=0.03)
valid_mask = jnp.isfinite(distances)
valid_distances = distances[valid_mask]
fig, ax = plt.subplots()
ax.hist(valid_distances, bins=100)
ax.set(xlabel='Distance in g-vector space', ylabel='Count', title='Histogram of g-vector neighbour distances')
plt.show()
We can perhaps discern that a sensible cutoff would be 0.0015 to get the first spike
[16]:
# Find the pairs
distances, indices = kd_a2.query(q_sample_a1, k=1, distance_upper_bound=0.0015)
valid_mask = jnp.isfinite(distances)
valid_distances = distances[valid_mask]
fig, ax = plt.subplots()
ax.hist(valid_distances, bins=100)
ax.set(xlabel='Distance in g-vector space', ylabel='Count', title='Histogram of g-vector neighbour distances')
plt.show()
Now we need to average or combine our observations of the g-vectors.
We have three sources of g-vectors we can possibly index:
G-vectors only from \(K_{\alpha_{1}}\)
G-vectors only from \(K_{\alpha_{2}}\)
Averaged/combined observations of both
[17]:
mask_a1 = valid_mask
mask_a2 = indices[mask_a1]
q_sample_a1_paired = q_sample_a1[mask_a1]
q_sample_a2_paired = q_sample_a2[mask_a2]
# concatenate
q_sample_cat = jnp.concatenate((q_sample_a1_paired, q_sample_a2_paired))
We can confirm that the deduplication succeeded by masking the centroids array in the same way:
[18]:
fig, axs = plt.subplots(1, 2, figsize=(12,20), constrained_layout=True)
axs[0].scatter(centroid_with_error[:, 1], centroid_with_error[:, 0], s=50, label=r'$K_{\alpha_{1}}$ and $K_{\alpha_{1}}$ peaks')
axs[0].scatter(centroid_with_error[:, 1][mask_a1], centroid_with_error[:, 0][mask_a1], s=10, label=r'Deduplicated peaks')
axs[0].set_aspect(1)
axs[0].set(xlabel='Detector fast', ylabel='Detector slow', title='Whole detector view')
axs[0].legend(loc='upper right')
axs[1].scatter(centroid_with_error[:, 1], centroid_with_error[:, 0], s=50, label=r'$K_{\alpha_{1}}$ and $K_{\alpha_{1}}$ peaks')
axs[1].scatter(centroid_with_error[:, 1][mask_a1], centroid_with_error[:, 0][mask_a1], s=10, label=r'Deduplicated peaks')
axs[1].set_aspect(1)
axs[1].set(xlabel='Detector fast', ylabel='Detector slow', xlim=(890, 940), ylim=(890, 940), title='Detail view')
axs[1].legend(loc='upper right')
plt.show()
Indexing the recovered scattering vectors#
Just \(K_{\alpha_{1}}\)#
[19]:
# make an indexer
idx_a1 = ImageD11.indexing.indexer(unitcell=ref_unitcell, gv=q_sample_a1_paired, minpks=80)
idx_a1.ds_tol = 0.005
idx_a1.assigntorings()
idx_a1.hkl_tol = 0.02
idx_a1.cosine_tol = 0.002
idx_a1.score_all_pairs()
idx_a1.saveubis('grains_found_a1.ubi')
info: gv: Array(shape=(55696, 3), dtype=float64) (55696, 3) float64
info: Assign to rings, maximum d-spacing considered: 0.949589
info: Ring assignment array shape (55696,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( -1, 0, -4) 12 645 0 645 N/A N/A -56.55
info: Ring 10 ( -2, 0, -2) 12 1836 0 1836 N/A N/A -53.29
info: Ring 9 ( 0, 0, -4) 2 443 0 443 N/A N/A -51.06
info: Ring 8 ( -2, 0, -1) 12 4334 0 4334 N/A N/A -48.14
info: Ring 7 ( -1, -1, -2) 12 4708 0 4708 N/A N/A -47.54
info: Ring 6 ( 0, -2, 0) 6 2761 0 2761 N/A N/A -46.32
info: Ring 5 ( -1, 0, -3) 12 7073 0 7073 N/A N/A -44.46
info: Ring 4 ( -2, 1, 0) 6 5292 0 5292 N/A N/A -39.83
info: Ring 3 ( 0, -1, -2) 12 10693 0 10693 N/A N/A -33.92
info: Ring 2 ( -1, 0, -1) 12 10747 0 10747 N/A N/A -25.92
info: Ring 1 ( 0, 0, -2) 2 1792 0 1792 N/A N/A -24.89
info: Ring 0 ( -1, 0, 0) 6 5372 0 5372 N/A N/A -22.68
info: Using only those peaks which are assigned to rings for scoring trial matrices
info: Shape of scoring matrix (55696, 3)
info: Assign to rings, maximum d-spacing considered: 0.949589
info: Ring assignment array shape (55696,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( -1, 0, -4) 12 645 0 645 N/A N/A -56.55
info: Ring 10 ( -2, 0, -2) 12 1836 0 1836 N/A N/A -53.29
info: Ring 9 ( 0, 0, -4) 2 443 0 443 N/A N/A -51.06
info: Ring 8 ( -2, 0, -1) 12 4334 0 4334 N/A N/A -48.14
info: Ring 7 ( -1, -1, -2) 12 4708 0 4708 N/A N/A -47.54
info: Ring 6 ( 0, -2, 0) 6 2761 0 2761 N/A N/A -46.32
info: Ring 5 ( -1, 0, -3) 12 7073 0 7073 N/A N/A -44.46
info: Ring 4 ( -2, 1, 0) 6 5292 0 5292 N/A N/A -39.83
info: Ring 3 ( 0, -1, -2) 12 10693 0 10693 N/A N/A -33.92
info: Ring 2 ( -1, 0, -1) 12 10747 0 10747 N/A N/A -25.92
info: Ring 1 ( 0, 0, -2) 2 1792 0 1792 N/A N/A -24.89
info: Ring 0 ( -1, 0, 0) 6 5372 0 5372 N/A N/A -22.68
info: Using only those peaks which are assigned to rings for scoring trial matrices
info: Shape of scoring matrix (55696, 3)
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -4), (0, 0, 4)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 443
info: Number of peaks in ring 2: 443
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.000909 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 1792
info: Number of peaks in ring 2: 443
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.003567 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -4), (0, 0, 4)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 443
info: Number of peaks in ring 2: 1792
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.001692 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 1792
info: Number of peaks in ring 2: 1792
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.006739 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 2761
info: Number of peaks in ring 2: 443
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1411
info: Time taken 0.006457 /s
info: Scoring 1411 potential orientations
info: new grain 136 pks, i 49701 j 26491 UBI 2.711428 -0.088398 -1.121344 -1.759124 2.272855 -0.591874 1.619394 2.225741 3.738973
info: new grain 144 pks, i 49693 j 26490 UBI -1.460970 2.479023 0.580075 -1.186961 -2.027510 -1.762080 -1.985407 -2.028672 3.671647
info: new grain 144 pks, i 49691 j 26599 UBI 1.950856 -1.751443 -1.322702 -1.714483 -1.059647 2.133772 -3.196379 -1.180125 -3.152153
info: new grain 140 pks, i 49689 j 54443 UBI 2.832999 -0.527024 -0.558207 -0.750616 2.012435 2.000243 0.043195 -3.264565 3.299607
info: new grain 144 pks, i 49681 j 26596 UBI 2.401565 -1.250800 -1.133358 -2.606480 -0.389655 -1.292830 0.730716 3.768704 -2.608600
info: new grain 151 pks, i 49679 j 54439 UBI 2.314740 -1.341716 -1.209038 0.405958 2.224762 1.869768 0.115730 -2.995438 3.543309
info: new grain 137 pks, i 49675 j 54325 UBI -2.119823 1.545883 -1.316846 1.681204 1.263582 2.048934 3.001572 1.322025 -3.282438
info: new grain 137 pks, i 49669 j 54434 UBI -1.998805 -1.358515 1.665044 0.633124 2.826088 0.480056 -3.332412 1.251446 -2.978331
info: new grain 130 pks, i 49666 j 54433 UBI -1.237601 -2.503024 0.906747 -1.276396 1.586772 -2.115940 2.398443 -2.348225 -3.207413
info: new grain 126 pks, i 49660 j 54431 UBI -2.095618 -1.633793 -1.247858 2.822578 -0.502417 -0.630136 0.250992 -3.011142 3.523133
info: new grain 151 pks, i 49659 j 54430 UBI -1.412991 -1.954021 1.674888 1.819453 -0.920687 -2.110591 3.523502 0.041139 3.021782
info: new grain 128 pks, i 49658 j 26472 UBI -0.568486 -2.844896 -0.449755 -1.501669 2.047593 -1.473065 3.178461 -0.101356 -3.380268
info: new grain 139 pks, i 49653 j 26468 UBI 0.225031 -2.277016 -1.840422 -2.269111 1.849376 -0.222899 2.431517 2.627028 -2.953052
info: new grain 150 pks, i 49646 j 54418 UBI -1.935172 -1.915207 -1.096862 2.675493 0.225944 -1.186347 1.563944 -3.255337 2.916483
info: new grain 129 pks, i 49644 j 26462 UBI -2.459402 0.536590 -1.509259 1.101715 2.051567 1.789175 2.520024 1.704188 -3.504269
info: new grain 128 pks, i 49634 j 54410 UBI -1.941552 -1.646702 -1.459656 -0.892886 1.700458 2.220148 -0.731792 3.492862 -2.968933
info: new grain 131 pks, i 49633 j 26563 UBI 0.184443 -2.676307 1.191494 -2.132946 1.836323 0.836500 -2.753633 -1.677600 -3.338361
info: new grain 142 pks, i 49632 j 54406 UBI -0.955513 -1.884393 -2.037212 2.741062 1.042512 -0.135811 1.482113 -3.552964 2.592143
info: new grain 123 pks, i 49628 j 26558 UBI 2.846615 -0.712515 -0.087302 -1.928254 -1.448248 -1.674943 0.663102 3.069175 -3.417230
info: new grain 141 pks, i 49623 j 54291 UBI 1.694944 1.467539 1.894203 -2.922147 0.100210 0.262377 0.121040 -3.718071 2.775364
info: new grain 134 pks, i 49618 j 54289 UBI -2.580286 0.346364 -1.357525 0.899272 1.982889 1.969985 2.096797 2.400001 -3.372483
info: new grain 148 pks, i 49616 j 54399 UBI -1.734302 -2.316991 0.489685 -0.465985 2.512535 1.445238 -2.844220 1.419195 -3.381003
info: new grain 138 pks, i 49612 j 54395 UBI -1.661680 -1.971521 1.404826 -0.074007 2.822370 0.804571 -3.449745 0.765916 -3.007295
info: new grain 134 pks, i 49607 j 26549 UBI 2.309807 -1.619131 -0.817072 -2.682335 -0.658621 -0.995699 0.667292 2.792504 -3.645827
info: new grain 138 pks, i 49606 j 54282 UBI 0.892237 -2.410954 -1.418527 0.791945 2.653286 -0.975663 3.799295 -0.156476 2.657967
info: new grain 144 pks, i 49605 j 26547 UBI -0.529233 -2.164460 -1.910700 2.408040 1.654981 -0.285900 2.353494 -2.956996 2.695059
info: new grain 123 pks, i 49600 j 26482 UBI 2.690481 -0.461297 -1.090954 -2.181784 -1.838536 -0.669182 -1.050559 2.594931 -3.701339
info: new grain 132 pks, i 49599 j 26433 UBI -2.910481 0.283255 -0.254281 1.774872 1.242188 -1.982551 -0.152063 -3.868342 -2.559394
info: new grain 149 pks, i 49592 j 26541 UBI 2.347562 -1.168589 -1.322091 -2.698336 -0.615558 -0.981602 0.206375 3.649764 -2.857791
info: new grain 138 pks, i 49585 j 26427 UBI -2.680981 -0.506841 -1.083780 1.191666 -1.884391 1.909903 -1.870584 2.381674 3.516878
info: new grain 146 pks, i 49583 j 54270 UBI 2.631720 -0.240768 1.279788 -2.321653 -1.383319 1.145215 0.928853 -3.724106 -2.611182
info: new grain 137 pks, i 49577 j 26422 UBI -1.961593 -1.476931 1.608490 -0.900992 1.722187 -2.200063 0.298506 -3.587607 -2.931015
info: new grain 136 pks, i 49575 j 26421 UBI -1.723746 -2.298289 -0.597909 -0.285187 2.487254 -1.534979 3.115591 -1.539139 -3.075586
info: new grain 131 pks, i 49574 j 54264 UBI 2.874645 0.586839 0.111571 -1.751674 1.568052 -1.758837 -0.750850 3.021092 3.442246
info: new grain 150 pks, i 49568 j 54260 UBI 1.740522 2.222306 0.808028 -2.154629 0.453637 -1.943682 -2.912553 1.019296 3.464025
info: new grain 147 pks, i 49566 j 26526 UBI 0.315644 2.720585 1.062271 1.917172 -2.096284 0.738732 2.636018 1.121116 -3.650642
info: new grain 138 pks, i 49564 j 26413 UBI 1.878638 1.784516 1.379522 -0.480957 -2.706740 1.030624 3.468676 -1.615638 -2.627592
info: new grain 146 pks, i 49562 j 54256 UBI -1.677104 -2.163633 -1.064855 2.562805 0.638994 -1.280953 2.144779 -3.032746 2.781626
info: new grain 142 pks, i 49555 j 54253 UBI 2.393095 0.185437 1.690771 -0.628586 2.153632 -1.890799 -2.483143 2.150690 3.278939
info: new grain 140 pks, i 49551 j 54363 UBI -1.645780 2.010509 -1.365869 -0.517957 -2.860097 -0.428327 -2.959344 0.004002 3.571550
info: new grain 131 pks, i 49546 j 54360 UBI -1.807722 -1.919285 -1.288925 -1.068216 2.002379 1.864177 -0.620622 2.951938 -3.527937
info: new grain 154 pks, i 49544 j 26403 UBI 2.548408 -1.456298 -0.010914 -2.018852 -0.587626 2.048773 -1.860546 -3.236579 -2.759625
info: new grain 159 pks, i 49538 j 26401 UBI -2.565605 -0.525914 -1.323746 2.369860 -1.585219 -0.706654 -1.074058 -3.076647 3.303617
info: new grain 132 pks, i 49534 j 54357 UBI 0.490438 2.519540 -1.424469 1.859136 -2.250207 -0.313154 -2.484492 -1.552869 -3.600251
info: new grain 136 pks, i 49530 j 54243 UBI -2.335962 -0.363831 1.740488 0.499473 -1.880605 -2.197529 2.532990 -2.652144 2.844745
info: new grain 144 pks, i 49528 j 54354 UBI -2.432281 0.903447 1.374518 -0.129120 -2.243160 -1.888526 0.852743 -2.966308 3.465829
info: new grain 125 pks, i 49526 j 26508 UBI 2.450627 -0.215006 1.602030 -0.081851 1.792940 -2.322550 -1.474921 3.456995 2.721986
info: new grain 144 pks, i 49512 j 26389 UBI -0.722320 2.807584 0.467404 1.948329 -1.326637 1.751384 3.442720 1.355192 -2.801461
info: new grain 148 pks, i 49505 j 54344 UBI -0.856141 2.749932 -0.567441 2.223658 -1.186724 -1.507464 -2.993931 -1.582628 -3.171976
info: new grain 146 pks, i 49501 j 54231 UBI 0.265443 -2.398057 -1.674336 1.883750 2.229997 -0.318468 2.795083 -1.907803 3.173895
info: new grain 132 pks, i 49493 j 26385 UBI 0.650612 2.645522 -1.094852 -2.507452 -1.327130 -0.757533 -2.148734 2.012945 3.586803
info: new grain 126 pks, i 49451 j 26590 UBI 1.912613 -1.086133 -1.944768 -0.946529 -1.673431 2.218995 -3.520969 -1.494842 -2.627578
info: new grain 141 pks, i 49441 j 26587 UBI -2.705563 -0.408799 -1.061822 0.497652 2.113785 1.977197 0.892902 2.997289 -3.428333
info: new grain 126 pks, i 49433 j 54428 UBI 0.572221 2.198211 -1.860400 -2.183149 0.253639 1.947122 2.954383 1.830562 3.074976
info: new grain 135 pks, i 49430 j 26581 UBI 2.110837 -1.771750 -1.013305 0.544854 1.787543 2.265014 -1.368623 -3.313693 2.944883
info: new grain 150 pks, i 49429 j 54425 UBI -2.346101 -0.136651 -1.758144 0.311869 -1.935976 2.185323 -2.304711 2.845291 2.852736
info: new grain 139 pks, i 49428 j 54424 UBI -1.322033 -1.964448 1.735258 1.859590 -0.900813 -2.084819 3.519708 0.290209 3.011052
info: new grain 140 pks, i 49422 j 26577 UBI 2.545792 -1.235464 0.776857 -0.019816 2.291371 -1.835154 0.305187 2.897037 3.613867
info: new grain 145 pks, i 49415 j 54420 UBI -2.873728 -0.374020 0.466580 1.464394 -1.878152 -1.715813 0.943891 -2.639868 3.698981
info: new grain 132 pks, i 49414 j 54308 UBI 1.824498 1.848768 -1.367544 1.055808 -1.946480 1.926646 0.559080 -3.084893 -3.422446
info: new grain 132 pks, i 49411 j 26461 UBI 1.056235 2.664522 -0.638276 -1.722581 -0.372556 2.347074 3.740079 -0.859279 2.609472
info: new grain 148 pks, i 49410 j 54304 UBI -1.933282 1.863332 1.187943 2.090609 1.003152 -1.798605 -2.824051 -0.618926 -3.631891
info: new grain 136 pks, i 49407 j 54413 UBI -2.885518 0.154100 0.519734 1.854416 1.719745 1.490677 -0.410854 3.275934 -3.262586
info: new grain 134 pks, i 49402 j 54411 UBI 2.742701 -0.901468 -0.526660 -1.244251 2.006247 -1.743231 1.634430 3.382559 2.726329
info: new grain 128 pks, i 49400 j 26564 UBI 0.787263 2.085734 -1.910320 1.858218 -0.829247 2.116478 1.760030 -3.242916 -2.814774
info: new grain 130 pks, i 49397 j 54407 UBI -2.571131 -1.195354 0.753992 0.151459 1.835844 -2.287666 0.840807 -3.587872 -2.821316
info: new grain 136 pks, i 49394 j 54405 UBI -2.283719 -1.034474 -1.528799 1.222881 -1.640721 2.103831 -2.913408 1.825470 3.118366
info: new grain 152 pks, i 49393 j 26449 UBI 2.008930 -1.926495 0.937866 -0.366400 2.544285 1.413132 -3.180128 -1.981824 2.741749
info: new grain 122 pks, i 49381 j 54397 UBI 2.914902 -0.352737 -0.010931 -1.674873 -1.570027 -1.829176 0.391201 3.325448 -3.212766
info: new grain 135 pks, i 49380 j 26551 UBI 1.854690 1.795380 -1.397317 0.911604 -1.520752 2.339745 1.290373 -3.491654 -2.773471
info: new grain 134 pks, i 49370 j 26434 UBI -1.395456 2.140166 1.442166 2.648209 -0.892125 0.902729 2.001847 3.161617 -2.746567
info: new grain 146 pks, i 49365 j 54388 UBI -2.714222 1.101251 -0.187083 1.969063 1.241054 1.790823 1.370250 2.790972 -3.446125
info: new grain 130 pks, i 49342 j 54269 UBI -2.229514 1.854714 0.455117 2.419620 0.180971 1.651625 1.854272 2.974941 -3.042525
info: new grain 142 pks, i 49341 j 54268 UBI 2.554072 1.218073 0.783811 -0.052923 -2.114238 -2.035424 -0.512178 3.207747 -3.314744
info: new grain 128 pks, i 49338 j 26534 UBI -0.013726 2.659282 -1.243501 1.680275 -0.511844 2.352227 3.493662 -1.279372 -2.774129
info: new grain 132 pks, i 49331 j 26419 UBI -1.120328 2.622102 0.696083 2.309955 -1.049605 1.479075 2.865099 2.029112 -3.034391
info: new grain 138 pks, i 49330 j 26418 UBI 0.643590 -2.729044 0.870947 -2.190067 1.472306 1.285913 -2.977314 -1.699803 -3.125990
info: new grain 128 pks, i 49329 j 26417 UBI 2.782574 -0.934598 0.069446 -0.752503 2.240443 -1.740647 0.916379 2.979661 3.438429
info: new grain 132 pks, i 49318 j 26521 UBI -2.925269 -0.193085 -0.147010 1.672148 -1.829491 -1.572994 0.020930 -3.014452 3.528942
info: new grain 129 pks, i 49314 j 54364 UBI 2.161208 -0.572546 -1.902880 -0.504595 -1.827490 2.241678 -2.959628 -2.415844 -2.634553
info: new grain 131 pks, i 49286 j 26396 UBI -2.352961 -1.650520 -0.599846 2.424881 -0.248846 -1.637447 1.587856 -3.298326 2.851189
info: new grain 144 pks, i 49285 j 54239 UBI 0.380794 -2.889892 -0.361071 -2.072533 1.408735 -1.527245 3.059716 0.829814 -3.387889
info: new grain 140 pks, i 49283 j 26394 UBI -0.897853 2.073889 -1.874112 2.684008 -1.158818 -0.268994 -1.699016 -3.275265 -2.813916
info: new grain 143 pks, i 49282 j 26504 UBI -1.266678 2.355836 -1.210951 -1.536499 -1.723615 1.812537 1.357128 2.584805 3.607448
info: new grain 130 pks, i 49280 j 54235 UBI 2.271815 -0.231052 1.844440 -2.426579 -1.585890 0.458031 1.752007 -3.428327 -2.590601
info: new grain 137 pks, i 49266 j 54230 UBI -0.904465 -2.630714 0.937530 2.630650 1.020143 0.808322 -1.916285 1.988151 3.731001
info: new grain 150 pks, i 49260 j 54339 UBI 2.625825 -0.686269 1.120674 -1.258810 2.564523 0.673576 -2.073864 -1.978997 3.650832
info: new grain 150 pks, i 49256 j 26382 UBI 1.464968 2.504628 -0.448849 0.479031 -2.313604 -1.742788 -3.358680 1.453105 -2.853842
info: new grain 140 pks, i 49253 j 26381 UBI -2.520695 0.385426 -1.456603 2.323412 1.684489 -0.616627 1.376620 -3.069380 -3.195475
info: new grain 140 pks, i 49233 j 26597 UBI -1.785090 -2.245581 0.627181 -0.336778 2.570925 1.375373 -2.923940 1.395392 -3.323345
info: new grain 134 pks, i 49202 j 26584 UBI 1.494662 -1.656068 -1.910366 0.217395 2.924378 -0.108878 3.585686 -0.157389 2.942407
info: new grain 138 pks, i 49192 j 26466 UBI 1.655292 -2.424417 -0.107774 -2.383259 0.074097 1.710218 -2.572471 -1.599138 -3.515783
info: new grain 139 pks, i 49180 j 26567 UBI -1.199066 -2.597302 -0.656313 -0.841102 2.413284 -1.446048 3.321806 -0.735550 -3.156873
info: new grain 116 pks, i 49161 j 54290 UBI 1.584735 2.471395 0.018754 0.602890 -2.115510 -1.944258 -2.962554 1.922252 -3.010396
info: new grain 131 pks, i 49157 j 54287 UBI -2.719646 1.066247 -0.299366 1.756739 1.031108 2.113814 1.593655 3.245222 -2.909073
info: new grain 136 pks, i 49141 j 54391 UBI 2.617657 -1.289431 -0.323279 -2.341251 -1.049907 -1.428671 0.935027 2.794790 -3.583668
info: new grain 135 pks, i 49119 j 54272 UBI 2.242221 -1.237801 1.433987 0.507480 2.105580 -1.980975 -0.355438 3.217878 3.327702
info: new grain 140 pks, i 49090 j 26525 UBI -0.273068 2.909233 -0.270487 -1.847147 -1.492160 1.726200 2.873189 0.605269 3.595009
info: new grain 144 pks, i 49069 j 54250 UBI 2.298207 -1.036793 -1.503002 -1.138605 2.619444 -0.681442 2.885238 2.038349 3.008167
info: new grain 146 pks, i 49040 j 54348 UBI 2.666228 0.707083 -1.004393 -2.354092 1.504335 -0.901881 0.542763 2.964277 3.528770
info: Number of orientations with more than 80 peaks is 100
info: Time taken 0.104/s
info: UBI for best fitting
[[-2.56560488 -0.52591355 -1.32374592]
[ 2.36986035 -1.58521884 -0.70665436]
[-1.07405782 -3.07664662 3.30361733]]
info: Unit cell: (2.934487468113584, 2.9374337863564373, 4.640392452061331, 90.01145196267642, 89.99786183969563, 120.00825179062142)
info: Indexes 159 peaks, with <drlv2>=0.007783
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 42225
info: Tried r1=6 r2=9 attempt 1 of 144, got 100 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -4), (0, 0, 4)]
info: Ring 2: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 48
info: Number of peaks in ring 2: 1966
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 48
info: Time taken 0.000262 /s
info: Scoring 48 potential orientations
info: new grain 120 pks, i 54440 j 48751 UBI -0.315146 2.918938 -0.006091 -1.602397 -1.645781 1.827999 3.311896 0.363968 3.230599
info: new grain 134 pks, i 54385 j 48885 UBI -1.230529 -2.158855 1.562412 -0.791529 2.787680 0.471695 -3.340445 -0.409046 -3.195495
info: new grain 131 pks, i 54361 j 48388 UBI -2.898846 0.391879 0.237716 1.313270 -2.168987 1.480362 0.680523 2.860450 3.589935
info: new grain 140 pks, i 54356 j 20530 UBI 1.843783 -1.964006 1.167152 -2.216537 -0.897941 -1.702648 2.731623 0.341314 -3.737183
info: new grain 137 pks, i 54346 j 48799 UBI -0.423274 -2.754984 -0.923226 1.598887 0.512219 2.407118 -3.830714 -0.284046 2.606046
info: new grain 120 pks, i 54336 j 48774 UBI -2.798323 -0.886582 0.000922 1.887289 -1.098234 1.961896 -1.080990 3.414287 2.951506
info: new grain 145 pks, i 54303 j 21102 UBI -2.370414 1.354557 1.076349 -0.309008 -2.150070 -1.976707 -0.226767 -3.120240 3.426831
info: new grain 144 pks, i 54228 j 48782 UBI 2.905915 -0.406461 -0.088130 -1.219305 2.204963 -1.507760 0.501809 2.786485 3.674971
info: new grain 136 pks, i 26402 j 48764 UBI -2.921583 -0.082122 -0.263573 1.267731 2.090464 1.626837 0.257818 2.741769 -3.735372
info: Number of orientations with more than 80 peaks is 109
info: Time taken 0.013/s
info: UBI for best fitting
[[-2.56560488 -0.52591355 -1.32374592]
[ 2.36986035 -1.58521884 -0.70665436]
[-1.07405782 -3.07664662 3.30361733]]
info: Unit cell: (2.934487468113584, 2.9374337863564373, 4.640392452061331, 90.01145196267642, 89.99786183969563, 120.00825179062142)
info: Indexes 159 peaks, with <drlv2>=0.007783
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 41059
info: Tried r1=9 r2=6 attempt 2 of 144, got 109 grains
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 1, 0), (-1, -1, 0), (-1, 2, 0), (1, -2, 0), (1, 1, 0), (2, -1, 0)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 3948
info: Number of peaks in ring 2: 16
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 87
info: Time taken 0.005147 /s
info: Scoring 87 potential orientations
info: new grain 134 pks, i 44588 j 54390 UBI 2.499072 0.280765 1.512476 -0.453078 1.624515 -2.403911 -1.948764 3.311443 2.605131
info: new grain 134 pks, i 44568 j 26431 UBI -1.713829 2.382033 0.066812 -0.591877 -2.285261 1.748611 2.680337 1.840834 3.309509
info: new grain 141 pks, i 44053 j 54367 UBI 2.714846 1.073853 0.297253 -1.711560 0.923104 -2.200779 -1.639376 3.398838 2.701089
info: new grain 152 pks, i 43859 j 54438 UBI -1.753850 -2.330707 0.328288 -0.759484 2.161704 -1.836238 2.219368 -2.158279 -3.457633
info: Number of orientations with more than 80 peaks is 113
info: Time taken 0.005/s
info: UBI for best fitting
[[-2.56560488 -0.52591355 -1.32374592]
[ 2.36986035 -1.58521884 -0.70665436]
[-1.07405782 -3.07664662 3.30361733]]
info: Unit cell: (2.934487468113584, 2.9374337863564373, 4.640392452061331, 90.01145196267642, 89.99786183969563, 120.00825179062142)
info: Indexes 159 peaks, with <drlv2>=0.007783
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 40550
info: Tried r1=4 r2=9 attempt 3 of 144, got 113 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 1340
info: Number of peaks in ring 2: 1884
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1158
info: Time taken 0.006192 /s
info: Scoring 1158 potential orientations
info: new grain 144 pks, i 31419 j 48540 UBI 1.471633 2.029862 1.526214 -2.374421 -1.277769 1.163600 2.681727 -3.318702 1.826479
info: new grain 144 pks, i 31418 j 20696 UBI 1.158608 -1.996979 1.813527 -1.536667 -0.864179 -2.348977 3.888318 -0.037508 -2.532121
info: new grain 142 pks, i 31415 j 21637 UBI 0.160480 1.739644 2.359922 -0.933035 1.085132 -2.562762 -4.364384 -1.111869 1.117107
info: new grain 145 pks, i 31414 j 49006 UBI 1.433407 0.384423 2.533437 1.434032 -0.988636 -2.362320 0.995340 4.365185 -1.224394
info: new grain 125 pks, i 31411 j 49476 UBI 1.878829 1.269670 -1.864344 -2.891446 0.222031 -0.452604 -0.102811 3.883655 2.541634
info: new grain 136 pks, i 31408 j 21161 UBI -0.957755 1.578281 2.281262 -1.394881 0.151167 -2.579146 -2.745150 -3.518463 1.280080
info: new grain 145 pks, i 31406 j 20923 UBI 2.190994 -1.046207 1.648380 -2.670563 0.360294 1.165148 -1.133165 -4.326712 -1.248253
info: new grain 146 pks, i 31403 j 21398 UBI -0.492061 1.188317 2.639661 0.570551 1.726497 -2.304500 -4.536918 0.234310 -0.949556
info: new grain 135 pks, i 31401 j 49239 UBI -1.607492 -0.042462 2.456150 -0.970394 1.444256 -2.363911 -2.142849 -3.845480 -1.469798
info: new grain 132 pks, i 31400 j 48528 UBI 0.225612 -1.519429 -2.502642 0.729542 2.842209 0.062098 4.364850 -1.142981 1.086998
info: new grain 130 pks, i 31399 j 48527 UBI 1.523032 -0.008970 2.509586 -2.784185 0.932475 -0.024780 -1.454750 -4.320460 0.867263
info: new grain 122 pks, i 31398 j 21396 UBI 1.011225 -0.828744 2.627569 1.314642 -0.953706 -2.446474 2.818827 3.685884 0.077510
info: new grain 129 pks, i 31396 j 48999 UBI -0.729261 1.662996 2.306107 -0.404264 1.012123 -2.726564 -4.270885 -1.814895 -0.041915
info: new grain 137 pks, i 31395 j 21843 UBI 2.665797 0.747199 0.975014 -1.873831 -1.398834 1.774990 1.674986 -4.079544 -1.451331
info: new grain 144 pks, i 31393 j 21622 UBI 2.286118 -0.225218 1.823501 0.443740 0.115204 -2.899370 0.274918 4.628831 0.227542
info: new grain 132 pks, i 31386 j 49682 UBI -1.943503 -0.184793 -2.193647 2.681001 1.086538 -0.501655 1.537441 -4.260319 -1.004662
info: new grain 129 pks, i 31385 j 21151 UBI 0.443594 -2.896386 -0.183492 -2.435379 1.186747 -1.129992 2.170224 0.588946 -4.060026
info: new grain 138 pks, i 31381 j 49461 UBI 1.570102 -1.553170 1.934991 0.232848 -0.566128 -2.871204 3.455230 3.081186 -0.326761
info: new grain 166 pks, i 31380 j 20910 UBI 1.128085 -1.023282 2.509137 -0.839339 2.807776 -0.195900 -4.254079 -1.170389 1.435482
info: new grain 139 pks, i 31379 j 21146 UBI -1.111605 0.859924 2.575822 -0.973301 1.206745 -2.491656 -3.266692 -3.282404 -0.319653
info: new grain 126 pks, i 31373 j 49677 UBI 0.731836 -2.366714 -1.575186 -1.494937 -0.310968 2.507419 -3.994518 0.322700 -2.340717
info: new grain 134 pks, i 31369 j 49452 UBI 0.355456 2.523057 -1.457640 -0.850795 -2.415616 -1.435139 -4.438816 1.088957 0.801014
info: new grain 138 pks, i 31368 j 48513 UBI -1.900008 -0.731521 -2.113295 2.647171 1.050981 -0.708655 1.704219 -4.316679 -0.038186
info: new grain 142 pks, i 31366 j 21380 UBI 1.680783 1.730090 1.668759 0.386772 -0.059441 -2.910569 -3.076814 3.443678 -0.477167
info: new grain 120 pks, i 31365 j 21140 UBI -0.486223 -1.850778 2.226047 0.689623 2.801039 0.544087 -4.503912 1.119137 -0.053265
info: new grain 133 pks, i 31364 j 49450 UBI 1.602520 1.242678 -2.123174 1.185942 -0.482511 2.641896 1.401086 -4.197618 -1.395489
info: new grain 143 pks, i 31363 j 21607 UBI 1.318019 1.762818 1.942855 1.327863 -0.640859 -2.538550 -2.010260 3.684999 -1.980352
info: new grain 148 pks, i 31362 j 21830 UBI -1.642536 0.489238 2.384950 -1.201788 0.176947 -2.673402 -1.074353 -4.509758 0.184801
info: new grain 138 pks, i 31360 j 20668 UBI 0.051704 2.641920 1.279607 1.114434 -2.330205 1.397109 4.146125 0.840658 -1.904915
info: new grain 141 pks, i 31359 j 21606 UBI -0.190379 2.159097 -1.979075 1.165433 0.528803 2.641803 4.199049 -1.123808 -1.630290
info: new grain 139 pks, i 31358 j 49447 UBI 2.528007 -1.430368 -0.430980 -1.613742 -0.561344 2.386608 -2.270868 -3.318808 -2.315645
info: new grain 146 pks, i 31353 j 49668 UBI 1.719227 1.510963 1.841333 -1.244911 -2.509859 0.877135 3.697575 -2.363582 -1.509778
info: new grain 134 pks, i 31352 j 49667 UBI 1.521212 -0.452224 -2.469959 1.259237 -0.481313 2.607811 -1.470969 -4.400204 -0.102381
info: new grain 136 pks, i 31350 j 48973 UBI -0.237734 -2.230364 -1.892034 0.817951 2.652454 -0.955125 4.448130 -1.101000 0.742073
info: new grain 141 pks, i 31349 j 21368 UBI 2.056216 -1.891115 -0.903843 -1.216996 -0.313013 2.652234 -3.294448 -2.706129 -1.836299
info: new grain 136 pks, i 31348 j 49444 UBI 1.548702 -2.111244 1.326684 -1.756026 1.747118 1.579233 -3.512068 -2.968312 -0.623287
info: new grain 135 pks, i 31339 j 20888 UBI -1.295525 -0.275267 -2.619699 2.665168 1.215823 0.198814 1.945126 -4.179650 -0.525061
info: new grain 127 pks, i 31332 j 21590 UBI 1.438812 0.447799 2.520096 -2.650312 -1.262466 0.027275 1.985978 -4.176178 -0.391234
info: new grain 132 pks, i 31326 j 49656 UBI -2.103599 0.007066 2.047233 2.561418 1.339148 0.520934 -1.700334 3.940264 -1.765352
info: new grain 144 pks, i 31324 j 48720 UBI -1.328793 0.640560 2.538096 -0.939490 1.222123 -2.497247 -2.926793 -3.547056 -0.637085
info: new grain 139 pks, i 31321 j 48955 UBI 1.883778 1.595801 -1.589811 -2.581782 -0.792396 -1.147257 -1.919943 3.895380 1.634129
info: new grain 81 pks, i 31316 j 48516 UBI 2.329463 1.403536 1.114367 -1.312697 -2.104796 1.556856 2.814927 -3.163308 -1.902995
info: new grain 124 pks, i 31314 j 20868 UBI -2.176435 -1.116783 -1.623079 2.793594 -0.431774 -0.792914 0.114921 -3.893201 2.524136
info: new grain 131 pks, i 31313 j 21807 UBI 1.873284 -0.098381 2.258458 -2.772159 -0.899049 0.352613 1.242517 -4.303219 -1.216874
info: new grain 132 pks, i 31306 j 20863 UBI 1.138343 -0.758383 -2.596568 -1.752353 2.346024 0.205194 3.694710 2.683849 0.833655
info: new grain 132 pks, i 31303 j 20642 UBI -1.594214 -0.633697 -2.381056 1.540645 2.497331 0.113158 3.653761 -2.167315 -1.868052
info: new grain 129 pks, i 31301 j 20640 UBI 0.803088 -1.876564 -2.110361 0.315043 2.890741 -0.407897 4.267034 -0.210906 1.810544
info: new grain 136 pks, i 31299 j 21800 UBI 1.494110 1.420618 2.089002 -0.397410 -2.903275 0.195397 3.944048 -0.697626 -2.343638
info: new grain 155 pks, i 31298 j 20638 UBI -1.360697 -1.494428 -2.129927 1.984653 2.055739 -0.681887 3.353909 -3.204241 0.103170
info: new grain 134 pks, i 31292 j 21564 UBI -2.296757 -0.191419 1.819664 2.291860 1.693925 0.702422 -2.001228 3.595645 -2.145330
info: new grain 139 pks, i 31291 j 49183 UBI 2.906302 0.252010 -0.336468 -1.400704 -2.352039 -1.056055 -0.656296 2.201879 -4.032659
info: new grain 140 pks, i 31290 j 21100 UBI 2.147606 -0.727260 1.862971 -2.788715 0.019797 0.914801 -0.436681 -4.450748 -1.235806
info: new grain 129 pks, i 31286 j 21097 UBI 0.473674 -1.788277 2.276624 -0.347850 2.881978 0.444249 -4.577007 -0.621771 0.463880
info: new grain 138 pks, i 31280 j 48692 UBI -1.585844 -2.457465 -0.261225 -1.109803 2.319963 1.415875 -1.786001 1.576622 -3.982591
info: new grain 121 pks, i 31274 j 20628 UBI 0.926082 -1.607759 2.274690 1.828753 0.594660 -2.217079 1.372966 3.864848 2.173781
info: new grain 133 pks, i 31273 j 49630 UBI -0.455265 2.900153 0.065797 1.506437 -1.199086 -2.216867 -3.948812 -0.567223 -2.369341
info: new grain 140 pks, i 31269 j 20626 UBI 2.209932 -1.912063 0.279060 -2.666444 -0.681672 1.018976 -1.092790 -1.864938 -4.107911
info: new grain 141 pks, i 31267 j 21084 UBI 2.723086 -0.625547 -0.902497 -0.972879 -1.049419 2.563745 -1.584791 -3.791043 -2.154249
info: new grain 144 pks, i 31265 j 21082 UBI 1.647989 -0.096562 2.427149 -2.701035 -1.151151 0.012245 1.738679 -4.088774 -1.341829
info: new grain 142 pks, i 31264 j 21081 UBI 2.745757 0.593073 -0.854349 -1.795375 -1.505664 -1.768714 -1.454073 3.974435 -1.906281
info: new grain 133 pks, i 31263 j 21549 UBI 1.640713 -1.844775 1.587754 -2.071136 1.617314 1.307176 -3.097545 -3.379840 -0.726059
info: new grain 138 pks, i 31261 j 20839 UBI 1.408746 1.856830 1.785617 -0.258116 0.621444 -2.858658 -3.987283 2.217126 0.843364
info: new grain 146 pks, i 31258 j 20619 UBI -2.097619 1.101098 1.734477 2.510113 -0.976335 1.168326 1.855692 4.232473 -0.443727
info: new grain 128 pks, i 31257 j 48461 UBI 0.225286 -2.234895 -1.890369 -1.601102 -0.299635 2.442333 -3.745175 1.538891 -2.266612
info: new grain 137 pks, i 31254 j 20616 UBI -0.032712 -2.105350 2.047692 -0.209063 2.820667 0.787608 -4.623280 -0.249762 -0.331751
info: new grain 152 pks, i 31253 j 48678 UBI -1.551894 1.139838 -2.218447 2.156405 -1.915826 -0.547357 -3.029204 -3.499632 0.323662
info: new grain 140 pks, i 31251 j 49617 UBI -1.715686 0.400713 -2.348975 2.419741 -1.648440 -0.214158 -2.461591 -3.760017 1.154980
info: new grain 130 pks, i 31247 j 20612 UBI -1.857436 -0.533625 2.209078 2.896342 -0.020130 0.479637 -0.130676 4.533519 0.986210
info: new grain 143 pks, i 31244 j 21772 UBI -2.404238 -1.555463 -0.643634 0.268614 2.758067 -0.971131 2.041022 -1.560230 -3.865983
info: new grain 124 pks, i 31243 j 21771 UBI -1.626174 2.444032 -0.024576 2.529577 -0.094896 -1.486801 -2.261156 -1.542349 -3.748037
info: new grain 134 pks, i 31242 j 21071 UBI 2.288379 1.774919 0.472574 -2.661117 0.739332 0.998146 0.886765 -2.202307 3.987029
info: new grain 141 pks, i 31237 j 21067 UBI -0.376231 2.646143 1.215978 -0.801875 -0.463534 -2.785824 -4.230998 -1.258096 1.429390
info: new grain 135 pks, i 31234 j 21535 UBI 2.154694 -1.766297 0.923043 -2.367293 0.429047 1.682336 -2.094514 -3.612466 -2.025275
info: new grain 135 pks, i 31230 j 48668 UBI 1.323389 -1.144755 -2.357424 -2.171217 1.947877 -0.334819 3.093687 3.460497 0.058211
info: new grain 132 pks, i 31227 j 49604 UBI 0.546838 -1.777630 -2.271118 1.106299 -0.619307 2.648340 -3.800513 -2.461548 1.014002
info: new grain 156 pks, i 31218 j 49136 UBI 2.551021 -0.480012 -1.370257 -2.362263 0.815803 -1.541152 1.152798 4.455179 0.591868
info: new grain 134 pks, i 31214 j 48895 UBI -1.940628 1.221899 -1.833827 1.952488 -1.944923 -1.011795 -2.986468 -3.444997 0.863042
info: new grain 126 pks, i 31211 j 21290 UBI 0.837292 1.930557 2.046425 -0.941387 0.947777 -2.614418 -4.344748 0.161732 1.624299
info: new grain 143 pks, i 31210 j 20595 UBI -2.069675 -0.512540 2.017416 -0.010661 -1.495291 -2.527236 2.678211 -3.265128 1.921848
info: new grain 124 pks, i 31209 j 49132 UBI 1.338698 -1.551508 -2.100801 0.211604 -0.839356 2.805896 -3.805256 -2.610285 -0.494997
info: new grain 149 pks, i 31207 j 48339 UBI 0.236067 -1.526192 -2.496391 -0.308525 -1.407141 2.559197 -4.614427 0.103316 -0.498946
info: new grain 114 pks, i 31204 j 49361 UBI 0.398732 2.072331 2.041463 -2.130432 -1.993126 0.327866 2.951572 -2.785476 2.250761
info: new grain 134 pks, i 31202 j 20592 UBI 0.677682 -1.519486 2.416997 -0.608372 2.865844 0.191550 -4.489531 -0.997602 0.627326
info: new grain 145 pks, i 31200 j 49129 UBI 1.648606 1.633656 1.798329 -2.187613 -1.627758 1.088087 2.925197 -3.558573 0.553978
info: new grain 141 pks, i 31197 j 48651 UBI 2.225726 1.787214 0.679122 0.108195 -1.620012 -2.447723 -2.038786 3.438772 -2.361721
info: new grain 135 pks, i 31196 j 20807 UBI -0.577669 2.245165 1.799982 0.094734 0.431828 -2.902309 -4.537102 -0.938927 -0.289467
info: new grain 130 pks, i 31195 j 21514 UBI -0.415310 1.668560 2.380534 2.333989 -1.770987 -0.160579 2.454922 3.415572 -1.963950
info: new grain 133 pks, i 31194 j 48431 UBI 2.055589 -1.210880 1.710275 0.772104 1.358775 -2.485534 0.425389 3.997848 2.317882
info: new grain 142 pks, i 31192 j 49125 UBI -1.544981 -2.311706 -0.936412 2.301883 0.952560 -1.554214 2.790754 -2.831892 2.394315
info: new grain 136 pks, i 31191 j 48886 UBI 0.289804 -2.534421 -1.454843 -0.634972 -0.015806 2.866218 -4.530560 0.056957 -1.002945
info: new grain 147 pks, i 31186 j 49589 UBI -2.029215 -1.530535 1.466134 -0.546172 0.916457 -2.735014 1.768754 -3.953123 -1.674155
info: new grain 138 pks, i 31181 j 49347 UBI 0.756869 1.999784 2.010735 -0.217676 0.765967 -2.827125 -4.475428 1.058705 0.631553
info: new grain 140 pks, i 31180 j 20796 UBI -1.822993 0.673704 -2.198684 2.451978 -1.520625 -0.540607 -2.308202 -3.967377 0.696597
info: new grain 165 pks, i 31178 j 49345 UBI 1.093346 1.633863 2.178778 -0.421519 -2.878321 0.393994 4.303258 -0.837397 -1.526597
info: new grain 174 pks, i 31170 j 48877 UBI 0.671956 -2.101583 1.935587 0.192154 2.825096 0.774351 -4.415334 -0.094088 1.432088
info: new grain 150 pks, i 31169 j 21271 UBI 2.607780 -1.344290 -0.034620 -2.390932 -1.407239 -0.966488 0.778494 1.619370 -4.278526
info: new grain 136 pks, i 31168 j 20789 UBI -1.970851 1.637576 -1.434774 0.764372 0.692949 2.748248 3.416247 2.685534 -1.628033
info: new grain 134 pks, i 31163 j 21028 UBI 0.329686 -2.239706 1.869402 -1.271576 2.484295 0.902405 -4.143037 -1.662716 -1.264356
info: new grain 128 pks, i 31162 j 21264 UBI -1.912238 -1.080207 -1.949136 0.614259 -1.506636 2.443734 -3.466610 2.158536 2.203005
info: new grain 145 pks, i 31161 j 21495 UBI 1.986240 -1.268845 1.750089 0.799859 1.013006 -2.638707 0.982337 4.126555 1.879660
info: Number of orientations with more than 80 peaks is 213
info: Time taken 0.101/s
info: UBI for best fitting
[[ 0.67195614 -2.10158336 1.93558712]
[ 0.1921535 2.82509613 0.77435091]
[-4.4153336 -0.09408752 1.4320884 ]]
info: Unit cell: (2.935076684560866, 2.9355937074791454, 4.642725538427955, 90.02223515939434, 89.98842005567157, 120.0087254818601)
info: Indexes 176 peaks, with <drlv2>=0.007559
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 27752
info: Tried r1=1 r2=6 attempt 4 of 144, got 213 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 1235
info: Number of peaks in ring 2: 934
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1135
info: Time taken 0.003792 /s
info: Scoring 1135 potential orientations
info: new grain 136 pks, i 49694 j 30962 UBI 1.408869 0.206876 -2.567227 -2.342040 -1.750831 0.251879 -2.765293 3.522290 -1.232377
info: new grain 140 pks, i 49690 j 31404 UBI 2.385188 -0.879678 1.467684 -1.688553 2.142458 1.089111 -2.548959 -3.157224 2.249486
info: new grain 142 pks, i 49670 j 31355 UBI 1.179986 -0.095999 -2.686324 1.728620 -0.146724 2.367451 -0.383881 -4.626092 -0.004668
info: new grain 139 pks, i 49663 j 3057 UBI 0.352305 -2.520810 -1.462665 0.450721 0.090953 2.899693 -4.463502 -1.045120 0.728566
info: new grain 136 pks, i 49662 j 3056 UBI 1.537161 -2.384675 0.757083 1.283673 2.147569 -1.534651 1.268689 2.069695 3.955572
info: new grain 148 pks, i 49661 j 31338 UBI -2.628853 1.143675 0.636380 0.331303 -1.683618 -2.381145 -1.029136 -3.760287 2.517140
info: new grain 125 pks, i 49651 j 3025 UBI -2.332613 -0.942095 -1.512566 2.663257 -0.040331 -1.233870 0.685175 -4.295756 1.619049
info: new grain 152 pks, i 49647 j 3097 UBI 2.013618 0.181272 2.128636 0.841159 -0.233322 -2.804077 -0.006051 4.625502 -0.384701
info: new grain 148 pks, i 49638 j 3005 UBI -0.007789 2.346570 -1.763134 0.918224 -2.597175 -1.016582 -4.329582 -1.012462 -1.327955
info: new grain 140 pks, i 49611 j 3396 UBI -0.018152 -2.161372 1.986352 1.855136 -0.110469 -2.273625 3.190068 2.262231 2.498196
info: new grain 148 pks, i 49603 j 30777 UBI 2.547701 0.045438 -1.457775 -2.522064 -0.355775 -1.461673 -0.364212 4.599284 -0.491972
info: new grain 123 pks, i 49602 j 30775 UBI 1.829746 0.642510 2.203701 -1.975934 -2.149092 0.311395 3.068928 -3.061715 -1.656092
info: new grain 126 pks, i 49580 j 2874 UBI -2.129967 1.709144 -1.076815 0.932991 0.378756 2.757807 3.185153 3.027886 -1.493866
info: new grain 131 pks, i 49578 j 2869 UBI -1.158978 -1.088224 2.468467 1.302680 2.629833 0.025874 -4.054398 2.017772 -1.015242
info: new grain 133 pks, i 49576 j 30709 UBI 0.421250 -2.618999 1.259192 1.165024 2.411710 1.202693 -3.844344 0.597747 2.528881
info: new grain 144 pks, i 49573 j 30698 UBI 1.867483 -0.496676 2.211080 0.956944 -0.074615 -2.775200 0.963366 4.533084 0.206270
info: new grain 138 pks, i 49571 j 3300 UBI -2.711221 -0.501586 1.007385 0.832953 -1.106717 -2.588976 1.502149 -3.842353 2.125254
info: new grain 143 pks, i 49561 j 31128 UBI 0.367966 2.286421 -1.803492 -1.613493 -2.299619 -0.856021 -3.792284 2.001288 1.770011
info: new grain 126 pks, i 49558 j 2830 UBI 2.014243 0.424944 2.093191 -2.190296 -1.908647 0.432893 2.598486 -3.392789 -1.809490
info: new grain 138 pks, i 49556 j 3275 UBI 1.541745 -1.025837 2.275124 1.254581 0.210431 -2.647262 1.389924 4.311021 1.004864
info: new grain 140 pks, i 49554 j 2822 UBI 2.456510 0.563368 1.504669 -2.430448 -0.831504 1.418844 1.276410 -4.443174 -0.416339
info: new grain 144 pks, i 49552 j 30661 UBI 0.425457 1.729952 -2.334209 1.549633 0.438029 2.456009 3.277644 -2.895803 -1.549668
info: new grain 154 pks, i 49550 j 31101 UBI 0.067290 -2.935442 -0.017291 -2.289545 1.421418 -1.162272 2.136410 0.074078 -4.118948
info: new grain 138 pks, i 49541 j 30636 UBI 2.182323 0.513607 -1.897005 0.608454 -0.832350 2.748303 -0.105961 -4.446335 -1.326145
info: new grain 140 pks, i 49537 j 3236 UBI -1.240010 1.898945 1.863746 1.479523 -2.315655 1.033183 3.901125 2.511218 0.038860
info: new grain 136 pks, i 49536 j 30629 UBI -0.243760 1.792466 2.312207 0.704483 1.089090 -2.633512 -4.501383 0.612968 -0.950008
info: new grain 149 pks, i 49535 j 2786 UBI -1.986536 2.153369 -0.196649 2.676468 0.361569 -1.152370 -1.497944 -1.749779 -4.027252
info: new grain 136 pks, i 49533 j 31074 UBI 0.499058 2.289697 -1.767806 -0.530623 -2.650762 -1.144903 -4.545360 0.937243 -0.066876
info: new grain 139 pks, i 49531 j 30620 UBI -2.135486 0.103457 -2.015674 2.563423 1.335325 -0.507499 1.640033 -3.882147 -1.941287
info: new grain 136 pks, i 49529 j 30615 UBI 0.328917 -1.940192 -2.177896 0.498940 2.851928 -0.485787 4.452869 -0.576176 1.184606
info: new grain 130 pks, i 49523 j 31053 UBI -1.760871 0.366778 -2.320688 -1.146134 -0.208255 2.696152 0.313893 4.602396 0.489580
info: new grain 137 pks, i 49522 j 30604 UBI -0.809394 1.204471 -2.552351 0.147803 1.652642 2.421692 4.436185 0.984739 -0.941325
info: new grain 127 pks, i 49519 j 30598 UBI -1.188285 2.680482 0.144673 -0.588771 -1.742248 -2.286976 -3.652248 -1.743869 2.269644
info: new grain 155 pks, i 49518 j 30595 UBI 1.630867 -1.097557 2.182545 0.915574 -0.241079 -2.778029 2.221962 4.055130 0.378899
info: new grain 151 pks, i 49517 j 2750 UBI 0.919151 1.413673 2.402495 0.063327 -2.932565 -0.091808 4.307439 0.141956 -1.731142
info: new grain 139 pks, i 49516 j 30591 UBI 0.400141 1.800701 -2.284773 1.015033 0.746325 2.650732 4.026452 -2.103203 -0.950687
info: new grain 140 pks, i 49515 j 31036 UBI 2.432554 0.137686 -1.636931 -2.636067 0.236751 -1.268011 0.132106 4.603295 0.582470
info: new grain 160 pks, i 49514 j 2745 UBI -1.731548 1.609606 -1.740707 2.708166 -0.716043 -0.878092 -1.654955 -3.880168 -1.938755
info: new grain 130 pks, i 49511 j 2741 UBI 1.563572 -1.875080 -1.629338 -1.080405 2.448447 -1.208912 3.888536 2.272356 1.119005
info: new grain 126 pks, i 49503 j 31015 UBI -2.155001 -1.857295 -0.723181 2.761487 -0.565959 -0.817604 0.689749 -2.338130 3.950952
info: new grain 162 pks, i 49500 j 2720 UBI 1.917928 0.797526 2.074145 0.926612 -0.522731 -2.736833 -0.685601 4.461598 -1.082833
info: new grain 138 pks, i 49499 j 30560 UBI 0.991799 -2.454268 -1.272087 0.423758 2.597661 -1.296100 4.035637 0.465061 2.243806
info: new grain 149 pks, i 49496 j 31004 UBI -0.248536 -2.581762 -1.373899 -0.977884 2.450357 -1.289257 4.163336 0.634142 -1.951382
info: new grain 130 pks, i 49495 j 3161 UBI 2.542197 -1.440760 -0.280979 -0.123869 2.461307 1.596148 -0.998051 -2.502768 3.779053
info: new grain 136 pks, i 49491 j 30545 UBI -1.934268 0.770658 -2.068489 -0.922137 -0.584031 2.725196 0.554629 4.463988 1.143369
info: new grain 132 pks, i 49489 j 3148 UBI -1.345206 1.884374 -1.805130 1.015680 0.926539 2.592969 4.076030 1.029717 -1.963491
info: new grain 130 pks, i 49487 j 2696 UBI -2.124173 -1.953765 -0.537492 2.229763 0.296380 -1.884253 2.388807 -3.235168 2.316802
info: new grain 136 pks, i 49486 j 30537 UBI 2.168116 -0.324570 -1.951523 0.616101 0.776679 2.763324 0.384027 -4.475635 1.171191
info: new grain 138 pks, i 49484 j 30535 UBI 2.255238 1.773432 -0.620283 -2.717541 0.725538 -0.847229 -0.655731 2.237053 4.013300
info: new grain 138 pks, i 49483 j 2691 UBI 2.670462 0.850536 -0.871427 -1.530691 -1.911050 -1.618632 -1.892820 3.517237 -2.363476
info: new grain 136 pks, i 49477 j 30965 UBI 0.541569 2.851264 -0.448986 1.957963 -1.662060 1.423031 2.058453 -1.026988 -4.030123
info: new grain 130 pks, i 49465 j 3552 UBI -2.360523 0.159870 -1.737580 -0.165591 0.908581 2.786520 1.258347 4.268147 -1.314990
info: new grain 132 pks, i 49463 j 3100 UBI -1.684619 1.016320 -2.177441 -0.497566 0.856726 2.764618 2.906703 3.569857 -0.582860
info: new grain 149 pks, i 49456 j 30926 UBI 2.259882 -1.870879 0.097227 -2.542708 -0.701746 1.287516 -1.456813 -1.963667 -3.945403
info: new grain 120 pks, i 49454 j 3530 UBI 1.044408 2.362608 -1.395392 -1.742933 -1.889968 -1.416317 -3.720483 2.432697 1.334708
info: new grain 146 pks, i 49440 j 3500 UBI -2.801023 0.161861 0.861042 0.831652 1.236885 -2.530940 -0.916810 -3.959848 -2.236850
info: new grain 126 pks, i 49439 j 30893 UBI -2.225181 -1.678013 -0.923649 0.836518 2.329012 -1.579473 2.985020 -2.665787 -2.349858
info: new grain 147 pks, i 49434 j 31334 UBI -2.446491 -0.078420 -1.621233 -0.139003 -0.485197 2.891288 -0.631226 4.540627 0.730098
info: new grain 121 pks, i 49405 j 2999 UBI 1.473701 -1.479639 -2.062936 -0.574480 2.854675 -0.370064 4.003660 1.076087 2.087229
info: new grain 123 pks, i 49398 j 3437 UBI 2.010502 0.714802 -2.017460 -2.496150 -1.314173 -0.814518 -2.009256 4.150028 -0.533637
info: new grain 134 pks, i 49390 j 31262 UBI -2.869934 0.284261 0.547521 1.434720 -2.397739 0.900017 0.977279 2.094990 4.023956
info: new grain 148 pks, i 49387 j 30811 UBI -0.981238 2.164979 -1.723090 -0.099635 -2.782600 -0.935124 -4.237940 -0.462460 1.833615
info: new grain 141 pks, i 49382 j 2958 UBI -0.674031 -1.183778 2.600836 -1.004817 -1.221612 -2.471756 3.795909 -2.660199 -0.228834
info: new grain 124 pks, i 49372 j 31222 UBI 1.879269 1.140220 -1.946545 1.013774 -1.393915 2.376875 -0.003963 -4.002515 -2.346780
info: new grain 143 pks, i 49363 j 2916 UBI -0.941829 2.594578 -0.995788 -0.415363 -2.424789 -1.601390 -4.086838 -0.682529 2.093843
info: new grain 140 pks, i 49354 j 31193 UBI 1.933515 -0.179781 -2.203442 0.728880 -0.965304 2.675050 -1.622766 -4.210323 -1.077384
info: new grain 136 pks, i 49340 j 3329 UBI -1.787154 0.924525 -2.138433 -0.679620 0.518598 2.808692 2.308259 4.021984 -0.182850
info: new grain 135 pks, i 49336 j 30712 UBI -1.432312 -1.717288 -1.900239 1.351665 2.428208 -0.946979 3.881265 -2.442626 -0.717522
info: new grain 124 pks, i 49334 j 31154 UBI 2.004842 0.437371 -2.100159 0.583219 -1.818589 2.228968 -1.767396 -3.540149 -2.425157
info: new grain 138 pks, i 49332 j 3308 UBI -0.826762 -2.098725 -1.876739 -0.756902 -0.181280 2.830221 -3.907494 2.342628 -0.894802
info: new grain 138 pks, i 49328 j 3301 UBI -0.168537 -1.708290 -2.380244 -0.104035 2.920949 -0.279471 4.621122 0.124062 -0.417948
info: new grain 139 pks, i 49326 j 30690 UBI -0.576107 1.100953 -2.658891 -1.155445 1.253657 2.391197 3.710668 2.768223 0.342148
info: new grain 141 pks, i 49325 j 3293 UBI 2.683458 0.405848 -1.122089 -0.321053 -1.354899 2.584093 -0.290056 -4.088430 -2.177246
info: new grain 145 pks, i 49322 j 2840 UBI 0.391540 -1.582518 -2.439935 1.193496 2.673472 0.220406 3.843963 -1.858581 1.821152
info: new grain 142 pks, i 49319 j 31125 UBI -1.647419 -1.271807 2.070696 -1.191221 0.731248 -2.582062 1.099259 -4.178616 -1.693412
info: new grain 131 pks, i 49317 j 3280 UBI 2.118614 0.439795 1.985504 -2.239753 -1.797188 0.614475 2.384603 -3.572627 -1.754196
info: new grain 133 pks, i 49316 j 31121 UBI -0.125877 2.733139 1.066075 -0.857067 -0.542326 -2.755150 -4.321705 -0.784853 1.496968
info: new grain 151 pks, i 49312 j 3269 UBI 0.594547 2.548694 -1.324409 0.249011 -0.234198 2.917040 4.436850 -1.282795 -0.481960
info: new grain 150 pks, i 49308 j 30656 UBI -0.422262 -1.411701 2.538978 0.820366 -1.494147 -2.390531 4.455470 0.664875 1.110724
info: new grain 134 pks, i 49295 j 2780 UBI -2.695517 0.142488 -1.153926 2.208820 -1.133320 -1.566951 -0.949715 -4.211352 1.704926
info: new grain 129 pks, i 49293 j 2776 UBI 1.674200 -0.666184 2.317109 -2.542837 1.419628 0.383476 -2.204186 -4.062102 0.422233
info: new grain 116 pks, i 49290 j 3215 UBI 0.193129 2.919989 -0.223500 1.110899 -1.369217 2.348066 4.072860 -0.435171 -2.181807
info: new grain 140 pks, i 49287 j 2760 UBI -2.092717 -1.247106 1.640800 -0.699424 1.275898 -2.548749 0.674201 -4.027385 -2.204223
info: new grain 132 pks, i 49272 j 3178 UBI -1.633947 -2.383238 -0.516528 -1.183796 2.329696 1.337118 -1.234291 1.739056 -4.122941
info: new grain 144 pks, i 49271 j 30570 UBI 1.491658 1.550997 -1.995670 0.469425 0.452025 2.862920 3.324261 -3.240372 -0.034556
info: new grain 135 pks, i 49270 j 3170 UBI 0.685163 -2.264013 -1.739589 -0.959755 -0.485885 2.731583 -4.369665 -0.124037 -1.558042
info: new grain 129 pks, i 49264 j 3155 UBI 0.998590 -2.332564 -1.476333 -0.252950 2.593152 -1.351993 4.340148 1.071146 1.244924
info: new grain 145 pks, i 49263 j 3154 UBI 0.898644 1.451382 2.389749 0.124892 -2.931882 -0.069431 4.290831 0.225395 -1.749711
info: new grain 137 pks, i 49262 j 3152 UBI 1.849201 -2.190680 -0.630673 -2.347402 -0.501250 1.692333 -2.499932 -1.027341 -3.770996
info: new grain 144 pks, i 49259 j 30540 UBI 1.863607 1.051035 -2.008373 -1.274396 -2.614028 -0.405693 -3.530448 2.060772 -2.197738
info: new grain 147 pks, i 49254 j 3138 UBI 1.784117 -1.377816 1.881573 0.585023 -0.043057 -2.875140 2.515614 3.876120 0.452959
info: new grain 148 pks, i 49251 j 2687 UBI -1.168722 -2.445966 -1.128679 1.771610 1.672549 -1.638651 3.662656 -2.432989 1.478909
info: new grain 149 pks, i 49249 j 2685 UBI 0.992978 1.978158 1.929882 -0.346124 0.744691 -2.819311 -4.356379 1.322861 0.885781
info: new grain 134 pks, i 49234 j 3101 UBI 1.365869 -2.378644 1.042457 -2.859624 0.402744 0.533555 -1.052216 -2.305443 -3.889181
info: new grain 136 pks, i 49230 j 3093 UBI -2.192670 0.717730 -1.818295 -0.524425 -0.347691 2.867647 0.891812 4.497887 0.705493
info: new grain 138 pks, i 49191 j 3020 UBI -1.296587 0.979675 -2.445018 2.680335 -1.190565 -0.135579 -1.892938 -4.183500 -0.671053
info: new grain 140 pks, i 49178 j 31285 UBI -0.443770 -1.438083 -2.520420 -1.387198 -0.856420 2.441535 -3.524099 2.847878 -1.001980
info: new grain 121 pks, i 49173 j 31276 UBI 1.560460 1.249164 -2.149891 0.255364 0.976471 2.756720 3.446468 -3.016172 0.749904
info: new grain 130 pks, i 49169 j 30824 UBI -2.321376 0.468672 -1.735008 -0.194840 0.513473 2.883927 1.394402 4.373289 -0.684212
info: new grain 141 pks, i 49160 j 3413 UBI 0.768577 1.396846 -2.466526 -2.523268 -1.495543 0.115421 -2.192880 3.817096 1.473398
info: Number of orientations with more than 80 peaks is 313
info: Time taken 0.095/s
info: UBI for best fitting
[[ 0.67195614 -2.10158336 1.93558712]
[ 0.1921535 2.82509613 0.77435091]
[-4.4153336 -0.09408752 1.4320884 ]]
info: Unit cell: (2.935076684560866, 2.9355937074791454, 4.642725538427955, 90.02223515939434, 89.98842005567157, 120.0087254818601)
info: Indexes 176 peaks, with <drlv2>=0.007559
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 15537
info: Tried r1=6 r2=1 attempt 5 of 144, got 313 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(-2, 1, 0), (-1, -1, 0), (-1, 2, 0), (1, -2, 0), (1, 1, 0), (2, -1, 0)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 508
info: Number of peaks in ring 2: 1522
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 508
info: Time taken 0.002720 /s
info: Scoring 508 potential orientations
info: new grain 128 pks, i 31421 j 43462 UBI -2.419904 -0.678799 -1.515945 -0.226195 1.047277 2.732937 -0.166614 4.327232 -1.672111
info: new grain 115 pks, i 31417 j 43900 UBI 1.676681 -1.065727 2.160181 1.224218 0.821796 -2.538028 0.578021 4.290637 1.670157
info: new grain 150 pks, i 31416 j 16057 UBI -0.975407 2.439068 -1.309608 -1.903537 -2.044396 0.898370 -0.301763 2.091336 4.133562
info: new grain 123 pks, i 31412 j 42571 UBI 0.541436 1.086339 2.675114 2.024155 0.225102 -2.116764 -1.805978 4.074783 -1.289680
info: new grain 143 pks, i 31397 j 44760 UBI 2.403164 -1.052178 1.320753 -2.341206 -1.728292 -0.382729 1.671257 -1.348402 -4.113709
info: new grain 140 pks, i 31392 j 16913 UBI 1.020836 -2.634017 -0.795453 -2.871598 0.580895 -0.193399 0.603875 1.544441 -4.335052
info: new grain 147 pks, i 31388 j 16468 UBI -2.285000 1.433364 -1.161413 2.560981 1.383131 0.374714 1.331396 -1.317213 -4.245312
info: new grain 136 pks, i 31382 j 16023 UBI -2.109162 -0.901633 -1.831655 -0.702668 1.005996 2.666976 -0.351286 4.298377 -1.714383
info: new grain 122 pks, i 31375 j 43416 UBI -0.232504 2.883851 -0.498452 2.578824 -1.351652 -0.376268 -1.093488 -0.854102 -4.428715
info: new grain 147 pks, i 31356 j 15997 UBI 1.251375 0.500191 2.607759 1.389406 0.776068 -2.468100 -2.023236 4.171216 0.172500
info: new grain 129 pks, i 31344 j 42504 UBI 1.899439 0.149901 2.231756 0.985301 -0.327684 -2.746269 0.198581 4.612716 -0.477525
info: new grain 142 pks, i 31331 j 44696 UBI 2.848983 -0.631777 0.316792 -1.891816 -2.103275 -0.787456 0.720767 1.023645 -4.468312
info: new grain 133 pks, i 31327 j 15970 UBI -2.031561 -1.477134 1.518662 -0.192828 0.174651 -2.923561 2.518546 -3.877326 -0.398572
info: new grain 132 pks, i 31323 j 43808 UBI -0.705312 -1.223464 -2.574465 2.728669 -0.262711 1.053646 -1.221903 -3.902579 2.192263
info: new grain 119 pks, i 31307 j 42467 UBI 1.716098 -2.332630 0.469312 -2.834252 -0.375512 -0.656792 1.065287 -0.130424 -4.515661
info: new grain 153 pks, i 31287 j 16370 UBI 2.070364 -1.916718 0.808556 0.734558 2.768660 -0.642403 -0.625995 1.194906 4.440579
info: new grain 133 pks, i 31282 j 43768 UBI 0.337155 -2.868852 -0.530821 -2.454063 0.977775 1.279554 -1.956186 0.544622 -4.172281
info: new grain 131 pks, i 31241 j 42843 UBI 0.888527 0.014359 2.799450 1.780608 0.994598 -2.111598 -1.753107 4.262927 0.531975
info: new grain 126 pks, i 31239 j 44605 UBI 1.361467 2.063965 1.583315 -0.787125 0.557868 -2.772531 -4.108206 1.573388 1.482093
info: new grain 139 pks, i 31235 j 15437 UBI -1.837389 0.762204 -2.159701 -0.543738 0.848993 2.757387 2.446661 3.877607 -0.712714
info: new grain 128 pks, i 31232 j 44598 UBI 0.498331 0.100556 -2.891712 -2.619928 0.782674 1.065646 1.477064 4.382548 0.407388
info: new grain 131 pks, i 31228 j 43272 UBI -2.356492 -1.707716 0.379918 2.680065 -1.194568 -0.085635 0.371046 0.506451 4.599102
info: new grain 147 pks, i 31226 j 14545 UBI 2.555429 0.443520 1.375919 -0.561453 -2.594740 -1.255129 1.874000 1.514118 -3.966274
info: new grain 132 pks, i 31220 j 16305 UBI 1.067014 1.365820 2.368960 1.611077 -0.165455 -2.449391 -1.837130 3.997166 -1.477895
info: new grain 135 pks, i 31217 j 44144 UBI 0.311897 -1.572238 2.459419 -1.013500 -1.277634 -2.441780 4.340264 -1.076231 -1.240317
info: new grain 145 pks, i 31216 j 15861 UBI -2.079692 -1.786856 -1.051691 2.648482 -1.070679 0.672810 -1.448603 -0.863576 4.321913
info: new grain 130 pks, i 31212 j 44579 UBI -0.641956 -2.744875 -0.820043 2.779058 0.746037 0.581466 -0.611776 -1.186489 4.445039
info: new grain 144 pks, i 31203 j 44130 UBI 1.245124 2.580472 -0.641857 -2.684265 -0.079931 1.187612 1.872421 0.150219 4.242367
info: new grain 135 pks, i 31189 j 42792 UBI 0.861770 0.472464 -2.768383 -1.241789 2.168771 1.542533 4.180373 1.306202 1.525856
info: new grain 120 pks, i 31187 j 15391 UBI -1.642835 1.217392 -2.104635 -0.102411 1.059305 2.733043 3.456156 2.933491 -1.004960
info: new grain 131 pks, i 31182 j 43670 UBI 1.358101 -2.462623 -0.843750 -2.933097 0.130523 0.003642 0.064617 1.539226 -4.377713
info: new grain 135 pks, i 31179 j 16704 UBI -1.616950 -1.990530 -1.428445 2.726974 -0.666152 0.855858 -1.651004 -1.562312 4.047463
info: new grain 142 pks, i 31177 j 15381 UBI 1.363704 0.509007 2.549114 -0.021234 -2.704600 -1.139103 3.932087 0.933381 -2.286168
info: new grain 137 pks, i 31175 j 14936 UBI 0.764497 2.211092 1.773949 -0.368399 -2.699542 1.092868 4.482179 -0.925591 -0.776206
info: new grain 126 pks, i 31167 j 15371 UBI 2.029044 -0.971201 1.887669 -2.744988 0.482633 0.918395 -1.122498 -4.380451 -1.045260
info: new grain 126 pks, i 31166 j 15370 UBI -0.837077 2.743076 -0.623293 2.558668 -0.482448 1.358155 2.131110 -0.285187 -4.113108
info: new grain 153 pks, i 31156 j 43202 UBI 1.986173 -0.699071 2.045994 0.842635 0.436089 -2.778567 0.653728 4.505469 0.907079
info: new grain 135 pks, i 31155 j 42317 UBI -0.159837 0.937757 -2.777289 -0.260639 -2.861318 0.601292 -4.594264 0.504215 0.432833
info: new grain 125 pks, i 31152 j 14472 UBI 0.499160 -2.497296 -1.459127 2.242936 1.490268 1.165980 -0.459427 -2.397467 3.948174
info: new grain 130 pks, i 31151 j 14471 UBI 0.417836 -1.044217 2.710872 -2.395297 1.585249 -0.609122 -2.276230 -3.879030 -1.144662
info: new grain 128 pks, i 31144 j 44511 UBI 0.604275 -0.938652 -2.714242 -1.164565 -1.844483 1.964217 -4.261378 1.226839 -1.369376
info: new grain 128 pks, i 31141 j 16226 UBI 2.054364 1.798692 1.080303 -0.666404 -2.484722 1.415063 3.248985 -2.252153 -2.428208
info: new grain 137 pks, i 31140 j 43628 UBI -1.650285 -2.175426 1.077072 2.646343 -0.586453 -1.131795 1.922296 0.609492 4.178967
info: new grain 130 pks, i 31137 j 15341 UBI 0.320255 2.490297 1.520209 -2.624949 -0.722195 -1.099263 -1.020085 -2.263109 3.921828
info: new grain 123 pks, i 31127 j 15773 UBI 0.904049 1.754903 -2.173092 1.207922 0.224187 2.665346 3.213437 -3.129431 -1.192612
info: new grain 139 pks, i 31119 j 43165 UBI 2.258550 -0.743769 -1.721698 -0.527754 -1.509326 2.463246 -2.752806 -2.892819 -2.362723
info: new grain 160 pks, i 31118 j 43606 UBI 2.267271 1.862787 0.093498 -2.524413 0.820655 -1.255544 -1.499639 1.622284 4.080358
info: new grain 122 pks, i 31116 j 15762 UBI -1.671706 1.203784 -2.091358 0.790254 -2.820770 -0.194469 -3.813957 -1.228996 2.341678
info: new grain 132 pks, i 31110 j 15315 UBI 0.170739 0.131432 2.928896 -2.329812 -1.244378 -1.280052 2.161223 -4.105847 0.058456
info: new grain 136 pks, i 31106 j 16191 UBI 0.554040 -0.722789 -2.789189 2.206584 0.209003 1.924801 -0.500668 -4.490852 1.060479
info: new grain 132 pks, i 31099 j 14860 UBI 0.448956 0.067129 2.900539 0.628870 2.354864 -1.637432 -4.313603 1.587341 0.630741
info: new grain 146 pks, i 31097 j 44466 UBI -0.996184 2.315903 1.502622 2.602708 0.137392 -1.354939 -2.078988 1.590045 -3.831655
info: new grain 135 pks, i 31096 j 14857 UBI 1.233046 0.926154 -2.497649 -2.193962 1.531866 1.212390 3.072835 2.476663 2.438290
info: new grain 132 pks, i 31095 j 15301 UBI -2.665049 0.755218 -0.972081 0.577444 -2.798015 0.674682 -1.373210 0.768068 4.365482
info: new grain 138 pks, i 31094 j 43584 UBI -2.229488 -0.740208 -1.762793 0.363452 -1.378259 2.567311 -2.687007 3.161207 2.076100
info: new grain 143 pks, i 31093 j 44462 UBI -2.667981 0.371653 1.164768 0.580567 -2.383972 -1.613775 1.353693 -2.257895 3.821795
info: new grain 141 pks, i 31091 j 44018 UBI 0.494598 -2.564089 1.341861 -2.676064 0.624526 -1.031616 1.121457 -1.916663 -4.075730
info: new grain 135 pks, i 31088 j 16173 UBI 2.414480 1.130497 -1.226858 -1.762916 -1.747382 -1.569247 -2.434277 3.698483 -1.385588
info: new grain 133 pks, i 31086 j 42250 UBI 1.422496 0.525490 -2.514597 -1.026102 2.236076 1.602290 4.017109 0.186398 2.314128
info: new grain 158 pks, i 31085 j 16612 UBI -0.177724 -0.279095 2.916502 -2.249623 1.137290 -1.506139 -1.804964 -4.244860 -0.515628
info: new grain 128 pks, i 31080 j 15286 UBI -1.397022 2.540491 -0.453741 -1.535073 -2.432444 0.584159 0.237357 0.941072 4.538725
info: new grain 150 pks, i 31079 j 15727 UBI 0.576511 -2.138599 1.927833 1.172164 -0.093370 -2.690557 3.685618 2.370856 1.524402
info: new grain 159 pks, i 31069 j 16157 UBI 1.965638 -2.170899 0.189180 0.746380 2.729968 0.780943 -1.374256 -0.866982 4.348887
info: new grain 130 pks, i 31064 j 16591 UBI 0.442338 -2.861573 -0.493219 -2.703100 0.990838 0.567218 -0.707018 0.675847 -4.537474
info: new grain 124 pks, i 31061 j 15267 UBI -0.821076 1.295437 -2.503076 -0.374518 1.385152 2.561099 4.218760 1.891004 -0.405437
info: new grain 133 pks, i 31060 j 44429 UBI -0.280190 2.757078 -0.966492 2.638448 -1.017728 0.787042 0.737944 -1.448225 -4.347209
info: new grain 124 pks, i 31059 j 44428 UBI -0.572381 0.328301 -2.861692 -1.887356 1.023647 2.003098 2.230051 4.068049 0.020400
info: new grain 143 pks, i 31058 j 44427 UBI -0.612623 -0.768202 -2.766552 0.520478 2.812451 0.661357 4.520736 -0.644157 -0.823741
info: new grain 138 pks, i 31055 j 15261 UBI 1.426569 1.813052 -1.816134 1.200448 -0.743648 2.573772 2.063246 -3.639468 -2.010847
info: new grain 137 pks, i 31054 j 16581 UBI -1.408906 0.381635 -2.546554 -0.408990 -2.459352 1.548574 -3.529375 2.005256 2.252694
info: new grain 145 pks, i 31051 j 43541 UBI -0.032275 2.250400 -1.883448 -0.028963 0.505448 2.892625 4.639278 0.091481 0.029722
info: new grain 152 pks, i 31047 j 42654 UBI -1.256134 0.544509 2.594392 -1.660398 -0.249438 -2.407991 -0.415679 -4.561068 0.757660
info: new grain 128 pks, i 31042 j 43089 UBI -2.040329 -0.335426 -2.084727 -0.705205 1.263346 2.554248 1.104765 4.154123 -1.749999
info: new grain 138 pks, i 31041 j 16129 UBI 2.732465 1.037735 0.285185 -0.566787 -2.821368 0.577332 0.870325 -1.078556 -4.428665
info: new grain 143 pks, i 31029 j 16118 UBI 0.187711 -1.785322 2.323896 0.935662 -0.909988 -2.629152 4.233340 1.657378 0.932766
info: new grain 129 pks, i 31027 j 14792 UBI 1.144151 -2.154650 1.633801 0.352371 -0.021273 -2.914522 3.925991 2.432082 0.458442
info: new grain 127 pks, i 31026 j 15673 UBI 0.378602 0.239668 2.902031 2.327741 -0.287608 -1.766085 0.257317 4.614602 -0.412191
info: new grain 144 pks, i 31025 j 14348 UBI -1.409964 -0.124840 2.571244 -0.561555 -1.995176 -2.081543 3.350196 -2.721289 1.703895
info: new grain 131 pks, i 31023 j 15228 UBI 2.727207 0.809153 -0.724073 -1.955660 2.020422 0.840163 1.334039 -0.541574 4.413652
info: new grain 126 pks, i 31021 j 42186 UBI 0.353901 2.123039 -1.997857 0.993148 0.377949 2.736989 4.081123 -1.836318 -1.226936
info: new grain 150 pks, i 31017 j 15664 UBI 0.667525 -2.109786 1.930000 1.155656 -0.061017 -2.698147 3.609369 2.505849 1.490748
info: new grain 138 pks, i 31014 j 43945 UBI -0.431530 0.586722 -2.842735 0.837543 2.138810 1.829650 4.448203 -0.988640 -0.882228
info: new grain 139 pks, i 31013 j 14778 UBI 0.539836 2.085791 1.995429 -0.632513 0.745503 -2.766487 -4.515198 0.147552 1.069904
info: new grain 137 pks, i 31007 j 43054 UBI -0.941424 1.655019 2.234220 -1.081183 0.423589 -2.695223 -3.362634 -3.080487 0.864592
info: new grain 145 pks, i 31001 j 42608 UBI -2.656930 1.151098 -0.478902 1.382366 -1.445283 -2.149793 -1.967133 -3.962700 1.400465
info: new grain 141 pks, i 31000 j 16089 UBI 1.817616 1.161465 -1.990803 0.594395 0.266108 2.862675 2.399078 -3.971529 -0.128281
info: new grain 144 pks, i 30998 j 14322 UBI 0.725537 -0.445624 2.808919 -0.720528 2.693787 -0.919427 -4.450123 -0.841746 1.015488
info: new grain 128 pks, i 30987 j 43476 UBI 1.007436 1.922111 -1.978832 0.984271 0.087252 2.764029 3.408997 -2.942714 -1.120603
info: new grain 126 pks, i 30984 j 44355 UBI 1.672208 -0.405873 -2.379390 0.639971 2.148878 1.893045 2.701046 -2.909367 2.399772
info: new grain 117 pks, i 30961 j 44332 UBI 1.280702 2.212264 1.445780 -2.460952 0.474820 -1.536535 -2.539415 -0.985565 3.756664
info: new grain 128 pks, i 30897 j 16868 UBI -0.201808 0.393189 -2.902781 -2.213307 -1.249559 1.467731 -1.895905 4.178632 0.696385
info: new grain 129 pks, i 30892 j 16422 UBI 0.284994 -2.818574 -0.765421 2.375880 1.579897 0.697795 -0.473532 -1.255583 4.443086
info: new grain 139 pks, i 30874 j 42923 UBI -2.035325 1.836528 -1.054967 -0.814205 -2.385320 1.503490 0.150834 2.435074 3.946759
info: new grain 144 pks, i 30870 j 15519 UBI -1.695118 2.237338 0.858079 -1.224648 -2.530816 -0.844903 0.175966 -1.543811 4.373732
info: new grain 132 pks, i 30869 j 44682 UBI -0.569307 0.576342 -2.821087 0.792542 2.170882 1.810654 4.458386 -0.748897 -1.054105
info: new grain 168 pks, i 30863 j 15954 UBI -0.569387 -1.752213 -2.284597 -1.115578 -0.621872 2.643965 -3.767021 2.522117 -0.999861
info: new grain 150 pks, i 30852 j 42901 UBI -2.043969 1.262836 -1.687353 -0.368002 -0.113070 2.909201 2.165289 4.082147 0.430790
info: new grain 141 pks, i 30788 j 16760 UBI 0.572173 -2.338188 1.679590 1.266961 0.260149 -2.634589 3.564568 2.267108 1.929072
info: new grain 133 pks, i 30767 j 14535 UBI 0.414603 -1.174820 2.658930 -1.082367 -1.642861 -2.178080 4.307837 -1.225234 -1.215224
info: new grain 140 pks, i 30751 j 43244 UBI 2.072615 1.352499 -1.576721 0.512403 -0.700605 2.804723 1.676292 -4.118074 -1.331321
info: Number of orientations with more than 80 peaks is 413
info: Time taken 0.091/s
info: UBI for best fitting
[[ 0.67195614 -2.10158336 1.93558712]
[ 0.1921535 2.82509613 0.77435091]
[-4.4153336 -0.09408752 1.4320884 ]]
info: Unit cell: (2.935076684560866, 2.9355937074791454, 4.642725538427955, 90.02223515939434, 89.98842005567157, 120.0087254818601)
info: Indexes 176 peaks, with <drlv2>=0.007559
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 3977
info: Tried r1=1 r2=4 attempt 6 of 144, got 413 grains
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 1, 0), (-1, -1, 0), (-1, 2, 0), (1, -2, 0), (1, 1, 0), (2, -1, 0)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 417
info: Number of peaks in ring 2: 109
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 272
info: Time taken 0.000656 /s
info: Scoring 272 potential orientations
info: new grain 138 pks, i 44725 j 31361 UBI 1.784561 -2.329557 -0.070314 -2.847303 -0.311954 -0.644006 0.920986 0.842333 -4.471870
info: new grain 151 pks, i 44721 j 30909 UBI -2.802310 0.711198 -0.506318 1.898680 2.056353 0.886461 1.040823 0.946455 -4.422394
info: new grain 147 pks, i 44572 j 2915 UBI 0.856099 2.463778 -1.347770 -2.856556 -0.638910 0.217785 -0.201633 2.280469 4.038875
info: new grain 146 pks, i 44551 j 2894 UBI -0.966379 2.719706 -0.539751 2.771997 -0.725132 -0.636675 -1.318666 -1.310062 -4.252337
info: new grain 135 pks, i 44501 j 31134 UBI -2.914136 0.306217 -0.179288 1.752898 2.307709 -0.474107 0.164284 -1.058368 -4.516805
info: new grain 146 pks, i 44499 j 30684 UBI -0.066564 1.516049 2.512114 2.571938 -0.846411 -1.135987 0.254684 3.971062 -2.389667
info: new grain 140 pks, i 44490 j 30675 UBI -1.958275 -1.818872 -1.214670 -0.199040 0.679580 2.849753 -2.712136 3.612652 -1.051488
info: new grain 152 pks, i 44481 j 30666 UBI 2.494054 1.341167 0.777573 -2.548071 1.448667 0.141620 -0.579147 -1.454791 4.367541
info: new grain 131 pks, i 44477 j 31108 UBI -0.891133 0.768833 2.689277 0.386786 -2.834016 -0.664277 4.419497 0.279201 1.386805
info: new grain 138 pks, i 44476 j 30659 UBI 1.862160 1.661700 -1.547826 -2.708399 0.976933 0.579883 1.536669 1.933768 3.926432
info: new grain 142 pks, i 44469 j 30652 UBI -2.833168 -0.741560 0.209052 1.215590 0.416464 -2.638097 1.165178 -4.490267 -0.170761
info: new grain 140 pks, i 44458 j 3247 UBI 2.589183 -1.116947 -0.820882 -1.153581 -0.727654 2.598768 -2.178928 -3.590875 -1.972891
info: new grain 134 pks, i 44452 j 3241 UBI 0.281039 0.663748 -2.844368 -0.500613 2.127673 1.958601 4.574925 0.549483 0.575255
info: new grain 140 pks, i 44442 j 3231 UBI -0.542136 2.873881 -0.246169 -2.133658 -1.945921 -0.525330 -1.237526 0.147595 4.471723
info: new grain 145 pks, i 44440 j 3229 UBI -2.902840 -0.066769 -0.443798 1.503257 2.470102 -0.496658 0.701455 -1.309722 -4.395624
info: new grain 134 pks, i 44402 j 3192 UBI -1.208793 -2.358610 -1.263576 1.526515 -0.289511 2.490631 -3.879888 0.672224 2.456455
info: new grain 129 pks, i 44398 j 2740 UBI 0.631342 -2.852767 -0.285354 -1.404934 0.961283 2.391007 -4.073641 -0.691499 -2.115249
info: new grain 137 pks, i 44394 j 2734 UBI -2.019924 -2.085863 -0.447703 2.835392 -0.726150 0.229064 -0.499927 -0.500603 4.585442
info: new grain 130 pks, i 44387 j 2726 UBI 0.104615 2.844508 -0.718596 2.412573 -1.356153 0.977733 1.124199 -1.141486 -4.356256
info: new grain 124 pks, i 44377 j 3164 UBI -1.208778 2.494638 -0.969932 2.786427 -0.638385 -0.668550 -1.422769 -2.183389 -3.839406
info: new grain 137 pks, i 44366 j 30547 UBI -0.490025 2.805945 -0.712863 2.741726 -1.047102 0.039542 -0.392254 -1.202179 -4.464653
info: new grain 133 pks, i 44363 j 30544 UBI -1.362754 -2.355637 1.100475 1.432373 -0.192772 -2.554238 3.877184 -1.182300 2.264424
info: new grain 156 pks, i 43959 j 3186 UBI 0.177167 -2.929796 0.024454 2.224506 1.612941 1.033039 -1.907119 -0.079030 4.230423
info: new grain 156 pks, i 43940 j 3167 UBI 2.589964 0.362050 -1.338081 -1.060562 -2.701018 0.436239 -2.148792 0.178178 -4.109018
info: new grain 119 pks, i 43909 j 30978 UBI 0.047006 2.812326 -0.852566 2.231666 -1.101192 1.559266 2.133034 -1.230715 -3.929104
info: new grain 139 pks, i 43752 j 3424 UBI 1.546418 1.587397 -1.925533 0.576979 0.206165 2.871083 3.081254 -3.449561 -0.371829
info: new grain 124 pks, i 43673 j 3343 UBI -1.868520 1.493589 1.703083 -0.835142 -0.885401 -2.672450 -1.542817 -3.988097 1.803231
info: new grain 134 pks, i 42791 j 2898 UBI -2.606278 0.775472 -1.101477 0.415092 -2.727484 0.998397 -1.382873 1.329719 4.225699
info: Number of orientations with more than 80 peaks is 441
info: Time taken 0.026/s
info: UBI for best fitting
[[ 0.67195614 -2.10158336 1.93558712]
[ 0.1921535 2.82509613 0.77435091]
[-4.4153336 -0.09408752 1.4320884 ]]
info: Unit cell: (2.935076684560866, 2.9355937074791454, 4.642725538427955, 90.02223515939434, 89.98842005567157, 120.0087254818601)
info: Indexes 176 peaks, with <drlv2>=0.007559
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 920
info: Tried r1=4 r2=1 attempt 7 of 144, got 441 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Ring 2: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 37
info: Number of peaks in ring 2: 37
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 13
info: Time taken 0.000074 /s
info: Scoring 13 potential orientations
info: new grain 126 pks, i 49497 j 21183 UBI 1.203824 -1.119221 2.433123 -0.770041 -1.775458 -2.208127 4.218862 0.491925 -1.867224
info: new grain 138 pks, i 49250 j 48775 UBI 1.871793 0.969169 -2.045839 -1.292283 -2.618145 -0.312586 -3.516211 2.007356 -2.266162
info: Number of orientations with more than 80 peaks is 443
info: Time taken 0.003/s
info: UBI for best fitting
[[ 0.67195614 -2.10158336 1.93558712]
[ 0.1921535 2.82509613 0.77435091]
[-4.4153336 -0.09408752 1.4320884 ]]
info: Unit cell: (2.935076684560866, 2.9355937074791454, 4.642725538427955, 90.02223515939434, 89.98842005567157, 120.0087254818601)
info: Indexes 176 peaks, with <drlv2>=0.007559
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 726
info: Tried r1=6 r2=6 attempt 8 of 144, got 443 grains
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 1, 0), (-1, -1, 0), (-1, 2, 0), (1, -2, 0), (1, 1, 0), (2, -1, 0)]
info: Ring 2: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 30.000000 0.866025
info: 90.000000 0.000000
info: 150.000000 -0.866025
info: Number of peaks in ring 1: 75
info: Number of peaks in ring 2: 23
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 50
info: Time taken 0.000126 /s
info: Scoring 50 potential orientations
info: new grain 143 pks, i 44750 j 49683 UBI -2.770926 -0.094295 -0.969199 2.227445 -0.157748 -1.903740 0.016134 -4.624295 0.404082
info: new grain 145 pks, i 44472 j 20993 UBI -1.093104 -1.562358 -2.232755 0.484182 2.878472 -0.318153 4.305686 -0.889421 -1.489063
info: new grain 167 pks, i 44029 j 49072 UBI 2.753444 -0.983060 -0.240677 -1.384641 -0.130908 2.585996 -1.600646 -4.224688 -1.071416
info: new grain 161 pks, i 43997 j 48819 UBI 1.572265 -2.323580 -0.871434 -0.910113 0.192361 2.783389 -3.910547 -2.227139 -1.125616
info: new grain 133 pks, i 43950 j 21662 UBI 0.473438 -0.178679 2.891945 2.172442 0.820978 -1.795222 -1.276467 4.436396 0.484293
info: Number of orientations with more than 80 peaks is 448
info: Time taken 0.007/s
info: UBI for best fitting
[[ 0.67195614 -2.10158336 1.93558712]
[ 0.1921535 2.82509613 0.77435091]
[-4.4153336 -0.09408752 1.4320884 ]]
info: Unit cell: (2.935076684560866, 2.9355937074791454, 4.642725538427955, 90.02223515939434, 89.98842005567157, 120.0087254818601)
info: Indexes 176 peaks, with <drlv2>=0.007559
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 224
info: Tried r1=4 r2=6 attempt 9 of 144, got 448 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Ring 2: [(-2, 1, 0), (-1, -1, 0), (-1, 2, 0), (1, -2, 0), (1, 1, 0), (2, -1, 0)]
info: Possible angles and cosines between peaks in rings:
info: 30.000000 0.866025
info: 90.000000 0.000000
info: 150.000000 -0.866025
info: Number of peaks in ring 1: 3
info: Number of peaks in ring 2: 20
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.000024 /s
info: hkls of rings being used for indexing
info: Ring 1: [(-1, 0, 0), (-1, 1, 0), (0, -1, 0), (0, 1, 0), (1, -1, 0), (1, 0, 0)]
info: Ring 2: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 23
info: Number of peaks in ring 2: 3
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.000047 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Ring 2: [(-1, 0, 0), (-1, 1, 0), (0, -1, 0), (0, 1, 0), (1, -1, 0), (1, 0, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 3
info: Number of peaks in ring 2: 23
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.000022 /s
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 1, 0), (-1, -1, 0), (-1, 2, 0), (1, -2, 0), (1, 1, 0), (2, -1, 0)]
info: Ring 2: [(-2, 1, 0), (-1, -1, 0), (-1, 2, 0), (1, -2, 0), (1, 1, 0), (2, -1, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 20
info: Number of peaks in ring 2: 20
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 20
info: Time taken 0.000045 /s
info: Scoring 20 potential orientations
info: new grain 130 pks, i 44414 j 43535 UBI 2.563091 -1.423058 0.162229 -2.511866 -1.511323 -0.158633 0.292392 -0.001779 -4.631993
info: new grain 140 pks, i 44331 j 15607 UBI 2.871212 0.593674 0.115741 -0.916045 -2.779490 -0.246559 0.108141 0.375954 -4.625140
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.003/s
info: UBI for best fitting
[[ 0.67195614 -2.10158336 1.93558712]
[ 0.1921535 2.82509613 0.77435091]
[-4.4153336 -0.09408752 1.4320884 ]]
info: Unit cell: (2.935076684560866, 2.9355937074791454, 4.642725538427955, 90.02223515939434, 89.98842005567157, 120.0087254818601)
info: Indexes 176 peaks, with <drlv2>=0.007559
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 5
info: Tried r1=4 r2=4 attempt 10 of 144, got 450 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Ring 2: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Possible angles and cosines between peaks in rings:
info: 15.318545 0.964472
info: 61.168460 0.482236
info: 118.831540 -0.482236
info: 164.681455 -0.964472
info: Number of peaks in ring 1: 3
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 2
info: Time taken 0.000025 /s
info: Scoring 2 potential orientations
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.006/s
info: UBI for best fitting
[[ 0.67195614 -2.10158336 1.93558712]
[ 0.1921535 2.82509613 0.77435091]
[-4.4153336 -0.09408752 1.4320884 ]]
info: Unit cell: (2.935076684560866, 2.9355937074791454, 4.642725538427955, 90.02223515939434, 89.98842005567157, 120.0087254818601)
info: Indexes 176 peaks, with <drlv2>=0.007559
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 5
info: Tried r1=6 r2=8 attempt 11 of 144, got 450 grains
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Ring 2: [(0, -2, 0), (-2, 0, 0), (2, -2, 0), (-2, 2, 0), (2, 0, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 15.318545 0.964472
info: 61.168460 0.482236
info: 118.831540 -0.482236
info: 164.681455 -0.964472
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 3
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 2
info: Time taken 0.000024 /s
info: Scoring 2 potential orientations
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.006/s
info: UBI for best fitting
[[ 0.67195614 -2.10158336 1.93558712]
[ 0.1921535 2.82509613 0.77435091]
[-4.4153336 -0.09408752 1.4320884 ]]
info: Unit cell: (2.935076684560866, 2.9355937074791454, 4.642725538427955, 90.02223515939434, 89.98842005567157, 120.0087254818601)
info: Indexes 176 peaks, with <drlv2>=0.007559
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 5
info: Tried r1=8 r2=6 attempt 12 of 144, got 450 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Ring 2: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Possible angles and cosines between peaks in rings:
info: 30.637089 0.860412
info: 57.663079 0.534897
info: 66.714738 0.395309
info: 113.285262 -0.395309
info: 122.336921 -0.534897
info: 149.362911 -0.860412
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.000022 /s
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info:
Tested 12 pairs and found 450 grains so far
Just \(K_{\alpha_{2}}\)#
[20]:
# make an indexer
idx_a2 = ImageD11.indexing.indexer(unitcell=ref_unitcell, gv=q_sample_a2_paired, minpks=80)
idx_a2.ds_tol = 0.005
idx_a2.assigntorings()
idx_a2.hkl_tol = 0.02
idx_a2.cosine_tol = 0.002
idx_a2.score_all_pairs()
idx_a2.saveubis('grains_found_a2.ubi')
info: gv: Array(shape=(55696, 3), dtype=float64) (55696, 3) float64
info: Assign to rings, maximum d-spacing considered: 0.949593
info: Ring assignment array shape (55696,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( 0, -1, -4) 12 645 0 645 N/A N/A -56.55
info: Ring 10 ( 0, -2, -2) 12 1836 0 1836 N/A N/A -53.29
info: Ring 9 ( 0, 0, -4) 2 443 0 443 N/A N/A -51.06
info: Ring 8 ( -2, 0, -1) 12 4334 0 4334 N/A N/A -48.14
info: Ring 7 ( 1, -2, -2) 12 4708 0 4708 N/A N/A -47.54
info: Ring 6 ( 0, -2, 0) 6 2761 0 2761 N/A N/A -46.32
info: Ring 5 ( 0, -1, -3) 12 7073 0 7073 N/A N/A -44.46
info: Ring 4 ( 1, -2, 0) 6 5292 0 5292 N/A N/A -39.83
info: Ring 3 ( 0, -1, -2) 12 10693 0 10693 N/A N/A -33.92
info: Ring 2 ( 0, -1, -1) 12 10747 0 10747 N/A N/A -25.92
info: Ring 1 ( 0, 0, -2) 2 1792 0 1792 N/A N/A -24.89
info: Ring 0 ( 0, -1, 0) 6 5372 0 5372 N/A N/A -22.68
info: Using only those peaks which are assigned to rings for scoring trial matrices
info: Shape of scoring matrix (55696, 3)
info: Assign to rings, maximum d-spacing considered: 0.949593
info: Ring assignment array shape (55696,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( 0, -1, -4) 12 645 0 645 N/A N/A -56.55
info: Ring 10 ( 0, -2, -2) 12 1836 0 1836 N/A N/A -53.29
info: Ring 9 ( 0, 0, -4) 2 443 0 443 N/A N/A -51.06
info: Ring 8 ( -2, 0, -1) 12 4334 0 4334 N/A N/A -48.14
info: Ring 7 ( 1, -2, -2) 12 4708 0 4708 N/A N/A -47.54
info: Ring 6 ( 0, -2, 0) 6 2761 0 2761 N/A N/A -46.32
info: Ring 5 ( 0, -1, -3) 12 7073 0 7073 N/A N/A -44.46
info: Ring 4 ( 1, -2, 0) 6 5292 0 5292 N/A N/A -39.83
info: Ring 3 ( 0, -1, -2) 12 10693 0 10693 N/A N/A -33.92
info: Ring 2 ( 0, -1, -1) 12 10747 0 10747 N/A N/A -25.92
info: Ring 1 ( 0, 0, -2) 2 1792 0 1792 N/A N/A -24.89
info: Ring 0 ( 0, -1, 0) 6 5372 0 5372 N/A N/A -22.68
info: Using only those peaks which are assigned to rings for scoring trial matrices
info: Shape of scoring matrix (55696, 3)
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -4), (0, 0, 4)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 443
info: Number of peaks in ring 2: 443
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.000900 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 1792
info: Number of peaks in ring 2: 443
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.003565 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -4), (0, 0, 4)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 443
info: Number of peaks in ring 2: 1792
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.001699 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 1792
info: Number of peaks in ring 2: 1792
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.006780 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 2761
info: Number of peaks in ring 2: 443
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1397
info: Time taken 0.006250 /s
info: Scoring 1397 potential orientations
info: new grain 144 pks, i 49693 j 54334 UBI -1.460826 2.479087 0.579957 -1.187010 -2.027396 -1.761982 -1.985529 -2.028587 3.671816
info: new grain 143 pks, i 49691 j 26599 UBI 1.950782 -1.751380 -1.322633 -1.714424 -1.059924 2.133820 -3.196354 -1.180061 -3.151977
info: new grain 140 pks, i 49689 j 54443 UBI 2.832592 -0.527402 -0.558342 -0.750332 2.012410 2.000386 0.043354 -3.264866 3.299365
info: new grain 144 pks, i 49681 j 54441 UBI 2.401828 -1.251079 -1.133392 -2.606533 -0.389468 -1.292642 0.730225 3.768732 -2.608975
info: new grain 154 pks, i 49679 j 26594 UBI 2.314783 -1.341909 -1.209134 0.406318 2.224121 1.870042 0.115864 -2.995976 3.543024
info: new grain 138 pks, i 49675 j 26481 UBI -2.119712 1.545984 -1.316689 1.681293 1.263221 2.049252 3.001536 1.321541 -3.282734
info: new grain 135 pks, i 49669 j 26589 UBI -1.998843 -1.358266 1.665440 0.633724 2.826181 0.479707 -3.332088 1.252318 -2.977692
info: new grain 130 pks, i 49666 j 26588 UBI -1.237335 -2.502814 0.906744 -1.277377 1.586578 -2.116573 2.397973 -2.348198 -3.207666
info: new grain 126 pks, i 49660 j 54431 UBI -2.095683 -1.634072 -1.247818 2.822594 -0.502080 -0.630320 0.250583 -3.011140 3.522835
info: new grain 151 pks, i 49659 j 26475 UBI 1.412180 1.954475 -1.674209 0.407497 -2.875067 -0.436228 -3.521942 -0.041359 -3.021454
info: new grain 128 pks, i 49658 j 26472 UBI -0.568332 -2.844857 -0.449613 -1.501746 2.047440 -1.473089 3.178592 -0.101085 -3.380329
info: new grain 139 pks, i 49653 j 26468 UBI 0.225090 -2.277424 -1.840534 -2.269177 1.848970 -0.222782 2.430993 2.626147 -2.953378
info: new grain 142 pks, i 49646 j 26573 UBI -1.935364 -1.915912 -1.097038 2.675729 0.226175 -1.186174 1.565817 -3.251944 2.917821
info: new grain 124 pks, i 49644 j 26572 UBI 2.460434 -0.535618 1.509136 -1.359993 2.586404 0.279992 -2.520488 -1.704594 3.504426
info: new grain 150 pks, i 49639 j 26460 UBI 0.158539 2.866417 -0.612493 1.932829 -1.862737 -1.186982 -2.824279 -0.618990 -3.631437
info: new grain 130 pks, i 49634 j 26565 UBI -1.941416 -1.646887 -1.459678 -0.892837 1.700539 2.219737 -0.731540 3.492995 -2.969158
info: new grain 130 pks, i 49633 j 26563 UBI 0.185051 -2.676379 1.191993 -2.132642 1.835677 0.836931 -2.753514 -1.677837 -3.338178
info: new grain 142 pks, i 49632 j 26561 UBI -0.955705 -1.884606 -2.037306 2.741184 1.042555 -0.135586 1.481537 -3.553185 2.592338
info: new grain 124 pks, i 49628 j 26558 UBI 2.846540 -0.712360 -0.087694 -1.928509 -1.448040 -1.675150 0.662840 3.069094 -3.417350
info: new grain 140 pks, i 49623 j 54291 UBI 1.694509 1.467821 1.894207 -2.922497 0.100446 0.262436 0.121537 -3.717952 2.775373
info: new grain 134 pks, i 49618 j 26445 UBI -2.580405 0.346153 -1.357657 0.899439 1.982906 1.970190 2.096965 2.400163 -3.371817
info: new grain 145 pks, i 49616 j 26554 UBI -1.735209 -2.317132 0.488607 -0.465671 2.512774 1.445496 -2.843136 1.420091 -3.380796
info: new grain 138 pks, i 49612 j 26550 UBI -1.661724 -1.971719 1.404936 -0.073897 2.822600 0.804419 -3.449520 0.765901 -3.007297
info: new grain 138 pks, i 49607 j 54283 UBI -2.309711 1.620572 0.817269 -0.373237 -2.277276 -1.812818 -0.667817 -2.792302 3.645933
info: new grain 138 pks, i 49606 j 54282 UBI 0.892381 -2.410842 -1.418553 0.791841 2.653132 -0.975598 3.799219 -0.156581 2.657967
info: new grain 142 pks, i 49605 j 26437 UBI 0.531158 2.162316 1.910491 1.877568 -0.509471 -2.198159 -2.353044 2.956884 -2.695036
info: new grain 119 pks, i 49600 j 26482 UBI 2.690678 -0.462341 -1.092112 -2.183266 -1.838259 -0.668873 -1.048736 2.594943 -3.701784
info: new grain 135 pks, i 49599 j 26433 UBI -2.909742 0.284010 -0.254488 1.775313 1.242271 -1.982716 -0.152668 -3.868676 -2.559573
info: new grain 149 pks, i 49592 j 26430 UBI -2.347451 1.168290 1.322202 -0.350926 -1.784369 -2.303959 -0.205768 -3.649923 2.857774
info: new grain 140 pks, i 49585 j 26427 UBI -2.680602 -0.507104 -1.083799 1.192432 -1.884937 1.910010 -1.869931 2.381130 3.516812
info: new grain 146 pks, i 49583 j 26426 UBI 2.631770 -0.240863 1.279676 -2.321671 -1.383446 1.145462 0.928680 -3.724006 -2.611444
info: new grain 134 pks, i 49577 j 26422 UBI -1.962299 -1.476276 1.608342 -0.900896 1.722202 -2.199646 0.297571 -3.587317 -2.931258
info: new grain 133 pks, i 49574 j 54264 UBI 2.874814 0.586955 0.112008 -1.751995 1.567854 -1.759392 -0.751285 3.020824 3.441810
info: new grain 148 pks, i 49568 j 54260 UBI 1.739966 2.223090 0.808364 -2.153595 0.452671 -1.943926 -2.912766 1.019303 3.464077
info: new grain 148 pks, i 49566 j 26526 UBI 0.315297 2.720532 1.062308 1.917642 -2.095869 0.738300 2.636514 1.121420 -3.650930
info: new grain 136 pks, i 49565 j 26414 UBI 2.120192 -1.417865 -1.454483 -1.847320 -1.492047 1.725447 -2.872474 -0.603972 -3.595179
info: new grain 138 pks, i 49564 j 26413 UBI 1.878593 1.784379 1.379610 -0.480793 -2.706654 1.030673 3.468870 -1.615988 -2.627641
info: new grain 148 pks, i 49562 j 54256 UBI -1.677038 -2.164065 -1.064389 2.562938 0.639507 -1.281691 2.144652 -3.032035 2.780995
info: new grain 140 pks, i 49555 j 54253 UBI 2.392911 0.185769 1.690843 -0.628968 2.153438 -1.890987 -2.484082 2.150685 3.278791
info: new grain 140 pks, i 49551 j 54363 UBI -1.645787 2.010359 -1.365820 -0.517927 -2.860219 -0.428072 -2.958945 0.003602 3.571734
info: new grain 131 pks, i 49546 j 54360 UBI -1.807758 -1.919430 -1.289111 -1.068189 2.002403 1.864103 -0.620845 2.951795 -3.527999
info: new grain 156 pks, i 49544 j 26403 UBI 2.548689 -1.456208 -0.010883 -2.019253 -0.588007 2.048328 -1.861045 -3.236864 -2.759498
info: new grain 157 pks, i 49538 j 26401 UBI -2.565353 -0.526061 -1.324201 2.369824 -1.585158 -0.706210 -1.074045 -3.076578 3.303687
info: new grain 131 pks, i 49534 j 26512 UBI 0.490960 2.519462 -1.424901 1.858801 -2.250347 -0.312861 -2.484530 -1.552605 -3.600102
info: new grain 136 pks, i 49530 j 54243 UBI -2.335966 -0.363791 1.740382 0.499631 -1.880616 -2.197505 2.533174 -2.652119 2.845118
info: new grain 144 pks, i 49528 j 26509 UBI -2.432387 0.903489 1.374437 -0.129117 -2.242962 -1.888374 0.852790 -2.966158 3.465850
info: new grain 127 pks, i 49526 j 54241 UBI -2.451664 0.215105 -1.601723 2.368272 1.578319 -0.720678 1.475402 -3.456861 -2.722233
info: new grain 145 pks, i 49512 j 54233 UBI -0.721784 2.807522 0.467408 1.946979 -1.326554 1.751400 3.443137 1.354112 -2.801857
info: new grain 148 pks, i 49505 j 54344 UBI -0.856128 2.749845 -0.567464 2.223634 -1.186415 -1.507497 -2.993351 -1.583306 -3.172299
info: new grain 129 pks, i 49493 j 54229 UBI 0.649814 2.645290 -1.095113 -2.507123 -1.327247 -0.757170 -2.148893 2.013083 3.586756
info: new grain 150 pks, i 49488 j 54339 UBI 1.258499 -2.565880 -0.673111 1.366487 1.879312 1.793374 -2.074181 -1.979680 3.650458
info: new grain 140 pks, i 49462 j 54331 UBI 0.337285 -2.570780 -1.375858 1.784893 2.245316 -0.626379 2.923663 -1.395173 3.323604
info: new grain 124 pks, i 49458 j 54329 UBI -0.315779 2.918953 -0.006871 1.917127 -1.273390 -1.822324 -3.311780 -0.363877 -3.230834
info: new grain 140 pks, i 49441 j 26587 UBI -2.706224 -0.408845 -1.061682 0.498128 2.113688 1.976846 0.893077 2.997218 -3.428082
info: new grain 125 pks, i 49433 j 26583 UBI 0.572175 2.198291 -1.860550 -2.183122 0.253810 1.946895 2.954274 1.831275 3.074571
info: new grain 138 pks, i 49430 j 26471 UBI -2.109415 1.772209 1.012790 2.656136 0.016437 1.251609 1.369234 3.314491 -2.945188
info: new grain 154 pks, i 49429 j 54314 UBI 2.346383 0.136863 1.758910 -2.034255 -2.072374 0.426099 2.305984 -2.844777 -2.852065
info: new grain 137 pks, i 49428 j 54424 UBI -1.321198 -1.965351 1.736228 1.859235 -0.900067 -2.085321 3.519689 0.291283 3.010327
info: new grain 139 pks, i 49422 j 54422 UBI 2.546121 -1.235744 0.776694 -0.019660 2.291464 -1.835106 0.305855 2.897030 3.613442
info: new grain 144 pks, i 49415 j 54420 UBI -2.873981 -0.373880 0.466715 1.463856 -1.878668 -1.715606 0.943939 -2.639323 3.698778
info: new grain 132 pks, i 49414 j 26464 UBI 1.824601 1.848730 -1.367593 1.055740 -1.946596 1.926526 0.558952 -3.084775 -3.422576
info: new grain 132 pks, i 49411 j 26461 UBI 1.056063 2.664481 -0.638310 -1.722101 -0.372271 2.347118 3.739737 -0.859178 2.609462
info: new grain 136 pks, i 49407 j 54413 UBI -2.885669 0.153986 0.519674 1.854156 1.719881 1.490632 -0.411102 3.275776 -3.262492
info: new grain 137 pks, i 49404 j 26457 UBI 0.841289 -2.413029 1.446134 1.199173 2.597077 0.656477 -3.320807 0.734614 3.156884
info: new grain 134 pks, i 49402 j 26566 UBI 2.742856 -0.900946 -0.526625 -1.243936 2.005722 -1.743492 1.633489 3.382633 2.726268
info: new grain 128 pks, i 49400 j 26564 UBI 0.787227 2.085836 -1.910330 1.858103 -0.829190 2.116577 1.759957 -3.243111 -2.814651
info: new grain 131 pks, i 49397 j 54407 UBI -2.571155 -1.195147 0.753805 0.151283 1.835398 -2.287932 0.840732 -3.587589 -2.821088
info: new grain 136 pks, i 49394 j 26560 UBI -2.283908 -1.034580 -1.528972 1.222886 -1.640665 2.103702 -2.913282 1.825260 3.118488
info: new grain 152 pks, i 49393 j 54293 UBI 2.008802 -1.926434 0.937961 -0.366203 2.544383 1.413101 -3.180008 -1.981766 2.741835
info: new grain 122 pks, i 49381 j 26552 UBI 2.914955 -0.352504 -0.010784 -1.674695 -1.569947 -1.829052 0.391284 3.325349 -3.213283
info: new grain 134 pks, i 49380 j 26551 UBI 1.855041 1.795373 -1.397373 0.911613 -1.520669 2.339792 1.290073 -3.491140 -2.773294
info: new grain 133 pks, i 49373 j 26436 UBI 2.341594 1.050017 1.428661 -2.617261 1.288911 0.323673 -0.933909 -2.794685 3.584877
info: new grain 133 pks, i 49371 j 54390 UBI 2.499442 0.280825 1.512135 -0.453513 1.624366 -2.403665 -1.948114 3.311265 2.604931
info: new grain 132 pks, i 49370 j 54278 UBI -1.395721 2.140368 1.442491 2.648471 -0.892366 0.902382 2.000818 3.161618 -2.745534
info: new grain 148 pks, i 49365 j 54388 UBI -2.714486 1.101224 -0.187643 1.969222 1.241227 1.790853 1.370315 2.790516 -3.446077
info: new grain 130 pks, i 49342 j 54269 UBI -2.229697 1.854839 0.455001 2.419775 0.180802 1.651725 1.853908 2.974909 -3.042344
info: new grain 142 pks, i 49341 j 26424 UBI 2.553744 1.218091 0.784002 -0.052837 -2.114369 -2.035282 -0.512244 3.208007 -3.315012
info: new grain 128 pks, i 49338 j 26534 UBI -0.014002 2.659206 -1.243626 1.680553 -0.511791 2.352385 3.494003 -1.279234 -2.773769
info: new grain 135 pks, i 49333 j 26532 UBI -0.285162 2.487387 -1.534602 -1.723654 -2.297978 -0.597506 -3.115893 1.538945 3.076028
info: new grain 132 pks, i 49331 j 26419 UBI -1.120343 2.621951 0.696233 2.310116 -1.049412 1.478905 2.865340 2.028966 -3.034689
info: new grain 138 pks, i 49330 j 54262 UBI 0.643917 -2.729105 0.871434 -2.190009 1.472128 1.285810 -2.976934 -1.700098 -3.125983
info: new grain 128 pks, i 49329 j 26528 UBI -2.782393 0.935250 -0.069319 2.030629 1.305586 -1.670987 -0.916655 -2.979980 -3.438148
info: new grain 136 pks, i 49320 j 26522 UBI 1.005106 1.996436 -1.902999 -2.715905 -1.073475 -0.297171 -1.639427 3.399328 2.701049
info: new grain 132 pks, i 49318 j 26521 UBI -2.925343 -0.192561 -0.147223 1.671919 -1.829618 -1.572912 0.020689 -3.014724 3.529147
info: new grain 129 pks, i 49314 j 26519 UBI 2.161000 -0.572587 -1.902601 -0.504316 -1.827876 2.241471 -2.959818 -2.415704 -2.634561
info: new grain 130 pks, i 49286 j 26396 UBI -2.352785 -1.650594 -0.599860 2.425166 -0.248251 -1.637756 1.587967 -3.297979 2.851205
info: new grain 145 pks, i 49285 j 26395 UBI 0.380699 -2.889908 -0.361141 -2.072545 1.408628 -1.527568 3.059483 0.830602 -3.387840
info: new grain 140 pks, i 49283 j 26394 UBI -0.897848 2.074121 -1.874433 2.684078 -1.159450 -0.268743 -1.699069 -3.275197 -2.813981
info: new grain 142 pks, i 49282 j 26393 UBI 1.266668 -2.356010 1.211269 -2.803047 0.631829 0.602326 -1.357067 -2.584159 -3.606539
info: new grain 131 pks, i 49280 j 54235 UBI 2.272099 -0.231135 1.844551 -2.426476 -1.585856 0.458111 1.751583 -3.428386 -2.590850
info: new grain 145 pks, i 49269 j 54231 UBI -1.885022 -2.231154 0.315435 2.150598 -0.165953 -1.990317 2.793807 -1.908311 3.175032
info: new grain 136 pks, i 49266 j 54230 UBI -0.904874 -2.630872 0.937333 2.630783 1.020110 0.808386 -1.915733 1.988546 3.730746
info: new grain 150 pks, i 49256 j 26382 UBI 1.465053 2.504973 -0.448096 0.479068 -2.313846 -1.742695 -3.358553 1.453166 -2.854101
info: new grain 140 pks, i 49253 j 26381 UBI -2.520742 0.385094 -1.456628 2.323350 1.685164 -0.616163 1.377205 -3.069678 -3.194977
info: new grain 144 pks, i 49226 j 54327 UBI -1.753705 -2.330261 0.327965 2.512451 0.168279 1.508505 -2.220122 2.158551 3.457767
info: new grain 129 pks, i 49223 j 26590 UBI -0.965560 2.759911 -0.274014 1.913246 -1.086156 -1.944167 -3.520779 -1.494469 -2.628122
info: new grain 134 pks, i 49202 j 26584 UBI 1.494827 -1.656140 -1.910419 0.217230 2.924474 -0.109004 3.585853 -0.157453 2.942545
info: new grain 130 pks, i 49192 j 54421 UBI -1.653449 2.423879 0.107859 -0.731123 -2.348958 1.602759 2.572532 1.598654 3.515648
info: new grain 145 pks, i 49184 j 54414 UBI -2.370751 1.355125 1.076393 2.679354 0.795214 0.900914 0.226087 3.121599 -3.425791
info: new grain 131 pks, i 49157 j 54287 UBI -2.720020 1.065783 -0.299277 1.756709 1.031356 2.113614 1.593360 3.245194 -2.909450
info: Number of orientations with more than 80 peaks is 100
info: Time taken 0.100/s
info: UBI for best fitting
[[-2.56535309 -0.52606106 -1.32420084]
[ 2.36982416 -1.5851576 -0.70621035]
[-1.07404507 -3.07657819 3.3036871 ]]
info: Unit cell: (2.9344990359681313, 2.9372647497080413, 4.640393798614889, 90.00645122772957, 90.00409149526678, 120.00523048347468)
info: Indexes 158 peaks, with <drlv2>=0.007663
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 42242
info: Tried r1=6 r2=9 attempt 1 of 144, got 100 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -4), (0, 0, 4)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 46
info: Number of peaks in ring 2: 1965
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 46
info: Time taken 0.000253 /s
info: Scoring 46 potential orientations
info: new grain 132 pks, i 54385 j 48885 UBI -1.230685 -2.158781 1.562527 -0.791271 2.787425 0.471692 -3.340849 -0.408539 -3.195293
info: new grain 132 pks, i 54384 j 21038 UBI 2.241625 -1.236340 1.435237 -2.748853 -0.868958 0.546419 0.357093 -3.218295 -3.327382
info: new grain 140 pks, i 54362 j 20989 UBI 2.298496 -1.037988 -1.502700 -1.159527 -1.581186 2.184002 -2.886056 -2.038984 -3.008193
info: new grain 130 pks, i 54361 j 48388 UBI -2.898719 0.392002 0.237808 1.313053 -2.169192 1.480389 0.680648 2.861309 3.589493
info: new grain 146 pks, i 54348 j 49040 UBI 2.666087 0.707073 -1.004465 -2.353821 1.504372 -0.901924 0.542704 2.964218 3.528542
info: new grain 136 pks, i 54346 j 48799 UBI -0.423124 -2.755289 -0.923128 1.598973 0.512431 2.407026 -3.830655 -0.283595 2.605873
info: new grain 121 pks, i 54336 j 20931 UBI -2.798476 -0.886475 0.000778 1.887410 -1.097946 1.961613 -1.080921 3.414375 2.952242
info: new grain 136 pks, i 54335 j 20698 UBI -2.710688 0.088720 1.121717 1.759607 -2.274049 0.590850 1.620458 2.224859 3.739140
info: new grain 141 pks, i 26496 j 49018 UBI 2.906115 -0.406333 -0.088418 -1.686445 -1.798025 1.596092 -0.502022 -2.787883 -3.674644
info: new grain 138 pks, i 26402 j 20921 UBI -2.921799 -0.082308 -0.263586 1.267788 2.090381 1.626952 0.257161 2.742325 -3.734831
info: Number of orientations with more than 80 peaks is 110
info: Time taken 0.011/s
info: UBI for best fitting
[[-2.56535309 -0.52606106 -1.32420084]
[ 2.36982416 -1.5851576 -0.70621035]
[-1.07404507 -3.07657819 3.3036871 ]]
info: Unit cell: (2.9344990359681313, 2.9372647497080413, 4.640393798614889, 90.00645122772957, 90.00409149526678, 120.00523048347468)
info: Indexes 158 peaks, with <drlv2>=0.007663
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 40931
info: Tried r1=9 r2=6 attempt 2 of 144, got 110 grains
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 3943
info: Number of peaks in ring 2: 10
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 61
info: Time taken 0.005059 /s
info: Scoring 61 potential orientations
info: new grain 116 pks, i 44622 j 26446 UBI -0.602901 2.115344 1.944209 2.187537 0.356081 -1.925414 -2.962591 1.922554 -3.010681
info: new grain 134 pks, i 44568 j 26431 UBI -1.713560 2.382180 0.066812 -0.591978 -2.285440 1.748717 2.680225 1.841119 3.309331
info: new grain 140 pks, i 44341 j 26511 UBI -1.843726 1.963837 -1.167220 2.216457 0.898189 1.702510 2.731522 0.341829 -3.737375
info: Number of orientations with more than 80 peaks is 113
info: Time taken 0.003/s
info: UBI for best fitting
[[-2.56535309 -0.52606106 -1.32420084]
[ 2.36982416 -1.5851576 -0.70621035]
[-1.07404507 -3.07657819 3.3036871 ]]
info: Unit cell: (2.9344990359681313, 2.9372647497080413, 4.640393798614889, 90.00645122772957, 90.00409149526678, 120.00523048347468)
info: Indexes 158 peaks, with <drlv2>=0.007663
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 40562
info: Tried r1=4 r2=9 attempt 3 of 144, got 113 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 1340
info: Number of peaks in ring 2: 1883
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1160
info: Time taken 0.006207 /s
info: Scoring 1160 potential orientations
info: new grain 129 pks, i 31421 j 48542 UBI 2.646105 -0.368648 -1.216602 -2.419459 -0.678598 -1.516053 -0.167019 4.327777 -1.672111
info: new grain 145 pks, i 31419 j 20697 UBI 1.471616 2.029931 1.526020 -2.374377 -1.277907 1.164038 2.681837 -3.318553 1.827021
info: new grain 145 pks, i 31415 j 20694 UBI -0.933753 1.084287 -2.563453 0.772886 -2.824184 0.203807 -4.364992 -1.111442 1.117680
info: new grain 136 pks, i 31408 j 21632 UBI 1.395189 -0.150660 2.579591 -2.352578 1.730094 -0.296585 -2.745465 -3.517860 1.280469
info: new grain 142 pks, i 31406 j 20923 UBI 2.191692 -1.046404 1.648711 -2.669741 0.360373 1.165144 -1.132985 -4.326183 -1.247777
info: new grain 141 pks, i 31403 j 49471 UBI 0.570142 1.726075 -2.305547 -0.079520 -2.915121 -0.333990 -4.536156 0.232438 -0.950215
info: new grain 135 pks, i 31401 j 21397 UBI -1.607643 -0.042692 2.456446 -0.970425 1.444253 -2.364023 -2.142812 -3.845719 -1.469755
info: new grain 132 pks, i 31400 j 20685 UBI 0.225690 -1.519448 -2.502619 0.729487 2.842219 0.062091 4.364772 -1.143239 1.086718
info: new grain 130 pks, i 31399 j 49687 UBI -1.523036 0.008877 -2.509618 2.784058 -0.932714 0.024934 -1.455233 -4.320342 0.867528
info: new grain 124 pks, i 31398 j 21157 UBI -1.010976 0.828709 -2.627892 -1.315148 0.953924 2.446761 2.818216 3.686151 0.078101
info: new grain 131 pks, i 31396 j 21156 UBI -0.729455 1.662854 2.306033 -0.404532 1.011892 -2.727110 -4.270991 -1.814110 -0.041671
info: new grain 136 pks, i 31395 j 21155 UBI -1.873427 -1.399243 1.774999 -0.792418 0.652022 -2.749759 1.674332 -4.079644 -1.451083
info: new grain 143 pks, i 31393 j 21622 UBI 2.286211 -0.225051 1.823302 0.443404 0.115239 -2.899338 0.275206 4.629096 0.228064
info: new grain 132 pks, i 31386 j 20679 UBI 1.943560 0.184710 2.193743 -2.680965 -1.086497 0.501466 1.537883 -4.260687 -1.004871
info: new grain 129 pks, i 31385 j 21151 UBI 0.443522 -2.896284 -0.183537 -2.435173 1.186516 -1.129990 2.170543 0.588942 -4.059920
info: new grain 140 pks, i 31381 j 49461 UBI 1.570663 -1.552901 1.934525 0.232672 -0.566098 -2.871083 3.455190 3.081391 -0.327010
info: new grain 168 pks, i 31380 j 20910 UBI 1.127526 -1.023844 2.508869 -0.838854 2.808225 -0.195658 -4.253584 -1.170707 1.435563
info: new grain 143 pks, i 31379 j 49227 UBI 1.111064 -0.860424 -2.576173 0.974313 -1.205540 2.492378 -3.266676 -3.283145 -0.319116
info: new grain 136 pks, i 31369 j 49452 UBI 0.355110 2.522878 -1.457604 -0.850504 -2.416041 -1.435240 -4.438886 1.088526 0.801439
info: new grain 140 pks, i 31366 j 21141 UBI -1.680334 -1.730909 -1.668963 -0.386626 0.058754 2.910339 -3.076322 3.443817 -0.477291
info: new grain 132 pks, i 31364 j 49450 UBI 1.602509 1.242424 -2.123406 1.186190 -0.482764 2.641495 1.401060 -4.198064 -1.395684
info: new grain 145 pks, i 31363 j 20899 UBI -1.317900 -1.762821 -1.942615 -1.327790 0.641458 2.538428 -2.009727 3.685710 -1.980422
info: new grain 150 pks, i 31362 j 21830 UBI -1.642333 0.490208 2.385366 -1.201746 0.177025 -2.673369 -1.074596 -4.508820 0.185426
info: new grain 136 pks, i 31360 j 48980 UBI -1.114667 2.329859 -1.396729 1.166605 0.312483 2.675904 4.146348 0.841682 -1.905661
info: new grain 141 pks, i 31358 j 48979 UBI 0.914511 -1.990684 1.956101 -2.527389 1.429268 0.431313 -2.270436 -3.319669 -2.315778
info: new grain 148 pks, i 31353 j 49668 UBI 1.719551 1.511338 1.841032 -1.245516 -2.510523 0.877215 3.697417 -2.363268 -1.509499
info: new grain 136 pks, i 31352 j 20664 UBI -1.521518 0.452162 2.470204 -1.258756 0.481343 -2.608061 -1.470439 -4.399971 -0.102244
info: new grain 136 pks, i 31350 j 21369 UBI 0.237917 2.230551 1.892128 -0.817987 -2.652293 0.955147 4.448083 -1.101469 0.741951
info: new grain 141 pks, i 31349 j 21368 UBI 2.056197 -1.890948 -0.903834 -1.217084 -0.312958 2.652108 -3.294478 -2.705896 -1.836495
info: new grain 131 pks, i 31348 j 21822 UBI 1.755170 -1.745392 -1.579204 -0.205972 -0.365723 2.905627 -3.512244 -2.968494 -0.623275
info: new grain 126 pks, i 31341 j 21123 UBI 0.836425 2.328600 -1.579896 -2.225016 -1.678087 -0.923390 -2.985910 2.665562 2.348446
info: new grain 136 pks, i 31339 j 21361 UBI 1.369703 0.940582 -2.420993 1.295691 0.275230 2.619900 1.944912 -4.179357 -0.525750
info: new grain 144 pks, i 31338 j 49661 UBI -2.629691 1.143149 0.635983 0.331927 -1.683654 -2.380898 -1.027844 -3.760113 2.517473
info: new grain 128 pks, i 31332 j 21590 UBI 1.438947 0.447932 2.520258 -2.650696 -1.262376 0.026895 1.986333 -4.175958 -0.392012
info: new grain 132 pks, i 31326 j 21814 UBI -2.103789 0.007364 2.047197 2.561407 1.339038 0.520894 -1.700464 3.940300 -1.765480
info: new grain 149 pks, i 31324 j 20652 UBI 0.939150 -1.221963 2.496929 -2.267967 1.862927 0.040884 -2.928501 -3.546879 -0.637801
info: new grain 141 pks, i 31321 j 48955 UBI 1.882830 1.595988 -1.589735 -2.581595 -0.792287 -1.147064 -1.920191 3.896146 1.634427
info: new grain 145 pks, i 31316 j 48492 UBI -1.309304 -2.108551 1.565195 -1.016451 0.697306 -2.665799 2.816995 -3.161694 -1.899336
info: new grain 132 pks, i 31313 j 21807 UBI 1.873275 -0.098277 2.258551 -2.772046 -0.899023 0.352639 1.242536 -4.303174 -1.216552
info: new grain 138 pks, i 31310 j 21574 UBI 1.383635 -0.210775 -2.580785 -2.680202 1.190648 0.135746 1.893667 4.183582 0.671118
info: new grain 134 pks, i 31306 j 20863 UBI 1.138830 -0.758665 -2.595940 -1.752731 2.345875 0.204483 3.695435 2.684825 0.833638
info: new grain 134 pks, i 31303 j 21803 UBI 1.593976 0.633979 2.381129 -1.540859 -2.497530 -0.113209 3.653849 -2.166551 -1.867684
info: new grain 146 pks, i 31298 j 49641 UBI 1.360170 1.492279 2.130172 -1.984022 -2.055478 0.681172 3.354884 -3.205240 0.102854
info: new grain 139 pks, i 31292 j 49636 UBI -2.291858 -1.692981 -0.702355 -0.005271 1.503901 2.522004 -2.002826 3.594568 -2.145855
info: new grain 142 pks, i 31291 j 49183 UBI 2.907012 0.252511 -0.336643 -1.399121 -2.351456 -1.056823 -0.657114 2.201360 -4.032066
info: new grain 130 pks, i 31286 j 21097 UBI 0.473697 -1.788042 2.276631 -0.347821 2.881819 0.444391 -4.577162 -0.621855 0.463610
info: new grain 139 pks, i 31285 j 21335 UBI -0.442091 -1.438197 -2.520597 -1.388771 -0.856287 2.441172 -3.524234 2.847627 -1.002313
info: new grain 138 pks, i 31280 j 21557 UBI 1.585740 2.457633 0.260943 1.109911 -2.320164 -1.415693 -1.785724 1.576694 -3.982655
info: new grain 123 pks, i 31279 j 49398 UBI 2.010098 0.714975 -2.017508 -2.496146 -1.314458 -0.814726 -2.009291 4.150239 -0.532897
info: new grain 122 pks, i 31274 j 20628 UBI 0.926346 -1.607691 2.274792 1.828428 0.593958 -2.217497 1.372801 3.864959 2.173353
info: new grain 127 pks, i 31273 j 21553 UBI 1.049902 1.700185 -2.151905 0.456199 -2.899270 -0.065080 -3.948102 -0.567975 -2.370414
info: new grain 143 pks, i 31269 j 20626 UBI 2.210031 -1.912436 0.279491 -2.665921 -0.681598 1.018352 -1.092403 -1.865476 -4.107857
info: new grain 143 pks, i 31267 j 21084 UBI 2.723076 -0.624955 -0.902404 -0.972566 -1.050073 2.563776 -1.584537 -3.790488 -2.154888
info: new grain 146 pks, i 31265 j 21082 UBI 1.648430 -0.095976 2.427787 -2.701248 -1.151202 0.012052 1.738257 -4.088175 -1.341265
info: new grain 142 pks, i 31264 j 21081 UBI 2.745697 0.593000 -0.854563 -1.795505 -1.505651 -1.768564 -1.453994 3.974602 -1.906270
info: new grain 146 pks, i 31258 j 20619 UBI -2.097119 1.100717 1.734947 2.510120 -0.976189 1.167787 1.855159 4.232714 -0.443884
info: new grain 128 pks, i 31257 j 48679 UBI -1.376446 -2.534829 0.552273 -0.225691 2.235378 1.889842 -3.744452 1.538845 -2.266410
info: new grain 132 pks, i 31254 j 21777 UBI 0.032668 2.103480 -2.048743 0.208931 -2.820086 -0.787507 -4.622795 -0.249602 -0.331558
info: new grain 150 pks, i 31253 j 20835 UBI -1.551242 1.139834 -2.218421 2.155861 -1.915714 -0.547561 -3.029960 -3.499996 0.323401
info: new grain 140 pks, i 31251 j 21542 UBI 0.704195 -1.247653 -2.563002 1.715480 -0.400720 2.348786 -2.461250 -3.759998 1.154938
info: new grain 144 pks, i 31244 j 21772 UBI -2.403686 -1.555529 -0.643637 0.268147 2.758148 -0.971121 2.040818 -1.560332 -3.866033
info: new grain 133 pks, i 31242 j 21310 UBI -2.288438 -1.775112 -0.473129 2.660719 -0.739209 -0.997547 0.886577 -2.202828 3.986959
info: new grain 139 pks, i 31238 j 21769 UBI -0.018663 -2.160983 1.986295 1.855201 -0.111132 -2.273524 3.190263 2.261610 2.498633
info: new grain 140 pks, i 31237 j 21067 UBI -0.376217 2.645814 1.216330 -0.802399 -0.463064 -2.785523 -4.231477 -1.258155 1.429599
info: new grain 135 pks, i 31234 j 20827 UBI -2.154523 1.766252 -0.922975 2.367016 -0.428926 -1.682279 -2.094450 -3.613212 -2.025349
info: new grain 137 pks, i 31230 j 21062 UBI 0.847741 -0.802915 2.692089 1.323356 -1.145373 -2.357185 3.093439 3.460574 0.058080
info: new grain 134 pks, i 31227 j 48444 UBI -0.547208 1.778071 2.271199 -1.105789 0.618716 -2.648633 -3.800106 -2.462029 1.014102
info: new grain 123 pks, i 31222 j 49372 UBI 1.879266 1.140153 -1.946514 1.013945 -1.394089 2.376669 -0.003718 -4.003012 -2.346854
info: new grain 128 pks, i 31215 j 21526 UBI 1.081383 1.643289 2.179376 -0.415814 1.176083 -2.657224 -4.307994 1.223973 1.217044
info: new grain 126 pks, i 31211 j 21290 UBI 0.837359 1.930552 2.046374 -0.941515 0.947631 -2.614305 -4.344397 0.161896 1.624595
info: new grain 146 pks, i 31210 j 21524 UBI 2.080396 2.007276 0.510322 -2.069375 -0.511917 2.016960 2.676937 -3.266736 1.923462
info: new grain 122 pks, i 31209 j 21050 UBI -1.339611 1.552522 2.099549 -0.210187 0.838170 -2.805670 -3.806979 -2.611206 -0.495689
info: new grain 162 pks, i 31207 j 20814 UBI -0.235825 1.527512 2.495162 0.307715 1.405950 -2.559608 -4.613115 0.103118 -0.499242
info: new grain 134 pks, i 31202 j 49595 UBI -0.677759 1.519324 -2.417041 0.608239 -2.865687 -0.191459 -4.489848 -0.997308 0.627228
info: new grain 143 pks, i 31200 j 21286 UBI 1.648579 1.633601 1.797805 -2.187583 -1.627365 1.088323 2.925384 -3.559259 0.554238
info: new grain 139 pks, i 31197 j 48651 UBI 2.225684 1.787016 0.678703 0.108194 -1.620055 -2.447574 -2.039254 3.438860 -2.362085
info: new grain 134 pks, i 31196 j 21515 UBI 0.577639 -2.245219 -1.800590 -0.094981 -0.432223 2.902167 -4.536635 -0.939036 -0.289618
info: new grain 130 pks, i 31195 j 21514 UBI -0.415434 1.668639 2.380486 2.333952 -1.771304 -0.160623 2.455625 3.415440 -1.963735
info: new grain 133 pks, i 31194 j 48431 UBI 2.055363 -1.211016 1.710212 0.772193 1.358795 -2.485671 0.425534 3.997794 2.317930
info: new grain 143 pks, i 31192 j 21044 UBI 1.544801 2.311755 0.936409 -2.301838 -0.952340 1.554290 2.791025 -2.831870 2.394918
info: new grain 145 pks, i 31186 j 21747 UBI -2.029097 -1.531105 1.465719 -0.546227 0.917138 -2.734722 1.768820 -3.953006 -1.673897
info: new grain 134 pks, i 31181 j 48640 UBI -0.757859 -1.998617 -2.010865 0.218005 -0.767532 2.826490 -4.475163 1.058843 0.632018
info: new grain 140 pks, i 31180 j 20796 UBI -1.823069 0.673979 -2.198968 2.452130 -1.521491 -0.540012 -2.308266 -3.966659 0.696113
info: new grain 159 pks, i 31178 j 49345 UBI 1.092728 1.634601 2.179432 -0.421897 -2.877862 0.393708 4.303759 -0.837179 -1.525147
info: new grain 147 pks, i 31169 j 21271 UBI 2.608776 -1.343848 -0.034380 -2.390021 -1.407988 -0.965871 0.777745 1.619253 -4.278663
info: new grain 136 pks, i 31168 j 21497 UBI 1.970584 -1.637658 1.435136 -0.764454 -0.692843 -2.748313 3.416634 2.685339 -1.628215
info: new grain 132 pks, i 31163 j 21028 UBI 0.329625 -2.239797 1.869351 -1.272376 2.485353 0.901558 -4.143769 -1.661891 -1.264951
info: new grain 126 pks, i 31162 j 49579 UBI -1.297034 -2.587209 0.495349 1.911982 1.080375 1.948890 -3.466237 2.158003 2.203066
info: new grain 141 pks, i 31161 j 48869 UBI 2.785895 -0.258034 -0.887950 -1.986600 1.269372 -1.750023 0.983278 4.127845 1.879396
info: new grain 131 pks, i 31160 j 48629 UBI -1.432409 -1.718136 -1.900002 0.081449 -0.710256 2.846612 -3.882281 2.443038 0.718060
info: new grain 128 pks, i 31151 j 48862 UBI 1.976846 -0.539953 -2.102276 0.418070 -1.044942 2.711064 -2.276099 -3.879418 -1.144351
info: new grain 136 pks, i 31150 j 48625 UBI 0.826895 2.099225 1.876572 0.756664 0.181098 -2.830466 -3.907192 2.341384 -0.894414
info: new grain 136 pks, i 31146 j 20571 UBI 1.867114 -0.497678 2.210890 -2.823803 0.573559 0.564123 -0.963715 -4.533273 -0.207000
info: new grain 137 pks, i 31143 j 21253 UBI 0.274012 -1.211624 2.659709 -0.169426 -1.708712 -2.380600 4.621572 0.124708 -0.417953
info: new grain 131 pks, i 31138 j 21484 UBI 0.576252 -1.101732 2.659322 -1.731540 2.355011 -0.268490 -3.709963 -2.767708 -0.342543
info: new grain 142 pks, i 31125 j 20769 UBI 1.647518 1.271604 -2.070649 1.191096 -0.731075 2.581938 1.099234 -4.178469 -1.693856
info: new grain 134 pks, i 31121 j 21242 UBI 0.984207 -2.191682 1.688723 -0.126147 2.732895 1.066296 -4.321329 -0.785145 1.496870
info: new grain 128 pks, i 31120 j 49558 UBI -2.011735 -0.425686 -2.093206 -0.174926 -1.483328 2.529019 -2.598156 3.393529 1.808413
info: new grain 161 pks, i 31118 j 48846 UBI 2.267215 1.862903 0.093831 -2.524315 0.820540 -1.255701 -1.499512 1.622417 4.080260
info: new grain 122 pks, i 31116 j 21473 UBI -0.790697 2.820475 0.194493 -0.881227 -1.616769 -2.286041 -3.813960 -1.228721 2.341620
info: Number of orientations with more than 80 peaks is 213
info: Time taken 0.104/s
info: UBI for best fitting
[[ 1.12752565 -1.02384446 2.50886884]
[-0.83885387 2.80822519 -0.19565812]
[-4.25358391 -1.1707069 1.43556285]]
info: Unit cell: (2.9349607182321216, 2.937360484055397, 4.639436544073064, 90.00148324013118, 89.98217690281759, 120.01056629251222)
info: Indexes 170 peaks, with <drlv2>=0.006737
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 27734
info: Tried r1=1 r2=6 attempt 4 of 144, got 213 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 1230
info: Number of peaks in ring 2: 934
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1129
info: Time taken 0.003796 /s
info: Scoring 1129 potential orientations
info: new grain 141 pks, i 49699 j 3576 UBI -1.158953 1.996816 -1.813246 1.537133 0.864093 2.349329 3.887962 -0.036957 -2.532314
info: new grain 126 pks, i 49695 j 3569 UBI 2.891986 -0.220195 0.452190 -1.012806 1.490684 -2.316682 -0.102296 3.882858 2.541310
info: new grain 138 pks, i 49694 j 3120 UBI 1.409083 0.206884 -2.567032 -2.342495 -1.750459 0.251849 -2.764301 3.521057 -1.233500
info: new grain 141 pks, i 49690 j 31404 UBI 2.385435 -0.879413 1.467934 -1.689570 2.142308 1.089068 -2.548078 -3.157568 2.249114
info: new grain 128 pks, i 49677 j 30925 UBI -0.731991 2.365935 1.574840 -0.763127 -2.677910 0.932135 3.994366 -0.322595 2.340390
info: new grain 141 pks, i 49670 j 3513 UBI 1.179677 -0.095767 -2.686372 1.728342 -0.146758 2.367327 -0.383006 -4.626610 -0.004281
info: new grain 143 pks, i 49663 j 3057 UBI 0.352995 -2.521612 -1.462668 0.450582 0.090773 2.898945 -4.463723 -1.044437 0.727478
info: new grain 129 pks, i 49662 j 3504 UBI -1.535785 2.385115 -0.754886 2.819953 -0.239084 -0.780664 -1.268796 -2.069306 -3.956412
info: new grain 126 pks, i 49651 j 3025 UBI -2.333049 -0.942187 -1.512819 2.663112 -0.039894 -1.233621 0.684924 -4.295672 1.619189
info: new grain 151 pks, i 49647 j 30939 UBI 2.013795 0.181481 2.128854 0.841544 -0.232913 -2.804119 -0.006525 4.624345 -0.384907
info: new grain 129 pks, i 49643 j 31301 UBI -0.803007 1.876624 2.110343 -0.314930 -2.890785 0.407882 4.266919 -0.210979 1.810735
info: new grain 135 pks, i 49642 j 3009 UBI -1.492953 -1.420766 -2.089113 1.096166 -1.481348 2.285313 -3.943987 0.697612 2.344881
info: new grain 147 pks, i 49638 j 3005 UBI -0.007645 2.346810 -1.763231 0.917890 -2.597234 -1.016606 -4.329864 -1.011635 -1.328045
info: new grain 139 pks, i 49624 j 31262 UBI -1.435099 2.398642 -0.899721 -1.434463 -2.111785 1.448706 0.977728 2.094868 4.024064
info: new grain 130 pks, i 49615 j 3405 UBI 1.857394 0.533431 -2.208943 -2.896436 0.020266 -0.479689 -0.130573 4.533239 0.986376
info: new grain 124 pks, i 49613 j 3401 UBI -1.626071 2.444040 -0.024673 2.529611 -0.094866 -1.486964 -2.261052 -1.542265 -3.748215
info: new grain 133 pks, i 49601 j 3378 UBI 1.067070 1.365361 2.368762 1.611291 -0.165815 -2.449182 -1.837242 3.996731 -1.477893
info: new grain 113 pks, i 49596 j 2914 UBI -2.130579 -1.992883 0.327876 0.399044 2.071792 2.041356 -2.951518 2.786195 -2.250581
info: new grain 128 pks, i 49580 j 30716 UBI -2.130745 1.709366 -1.076444 0.934044 0.378693 2.757379 3.184971 3.028141 -1.493783
info: new grain 132 pks, i 49578 j 2869 UBI -1.158981 -1.088125 2.468721 1.303007 2.629878 0.025429 -4.054289 2.017551 -1.014705
info: new grain 134 pks, i 49576 j 30709 UBI 0.420982 -2.619225 1.259180 1.164874 2.411894 1.202412 -3.844065 0.597841 2.529216
info: new grain 128 pks, i 49572 j 31144 UBI 1.164241 1.844023 -1.964408 -0.560287 -2.783561 -0.750124 -4.261010 1.227034 -1.369648
info: new grain 138 pks, i 49571 j 3300 UBI -2.711277 -0.501403 1.007444 0.832788 -1.106747 -2.588934 1.501876 -3.842298 2.125382
info: new grain 143 pks, i 49561 j 3286 UBI 0.367982 2.286476 -1.803406 -1.613459 -2.299680 -0.855996 -3.791956 2.001519 1.770568
info: new grain 141 pks, i 49557 j 2829 UBI -1.731019 2.253055 -0.743673 -0.527038 -1.507274 2.463831 2.752998 2.895720 2.359177
info: new grain 133 pks, i 49556 j 2827 UBI -1.540863 1.027132 -2.277275 2.795324 -0.816705 -0.369662 -1.389572 -4.311542 -1.005235
info: new grain 136 pks, i 49554 j 3270 UBI -2.456246 -0.564049 -1.504829 0.025588 -0.266400 2.923869 -1.276619 4.443139 0.416545
info: new grain 144 pks, i 49552 j 2819 UBI 0.425556 1.729848 -2.334016 1.549601 0.438227 2.455913 3.278051 -2.895378 -1.549908
info: new grain 152 pks, i 49550 j 31101 UBI 0.067595 -2.935294 -0.017317 -2.289578 1.421519 -1.162601 2.136242 0.075258 -4.118978
info: new grain 132 pks, i 49545 j 2798 UBI -2.415955 -1.130146 1.225897 0.655190 -0.617729 -2.794562 2.435300 -3.699518 1.386467
info: new grain 136 pks, i 49541 j 3242 UBI -2.180606 -0.511356 1.896074 2.790775 -0.319546 0.853209 0.105796 4.445927 1.325594
info: new grain 138 pks, i 49537 j 3236 UBI -1.239465 1.899378 1.863587 1.480103 -2.315640 1.033072 3.901896 2.510743 0.037557
info: new grain 136 pks, i 49536 j 2787 UBI -0.243644 1.792333 2.312273 0.704472 1.088918 -2.633561 -4.501410 0.613425 -0.950099
info: new grain 148 pks, i 49535 j 2786 UBI -1.986745 2.153277 -0.196495 2.676015 0.361555 -1.152571 -1.498166 -1.749568 -4.027301
info: new grain 136 pks, i 49533 j 3232 UBI 0.499262 2.289808 -1.767747 -0.530828 -2.650705 -1.144947 -4.545416 0.936989 -0.066773
info: new grain 140 pks, i 49531 j 31068 UBI 2.135532 -0.104196 2.016111 0.428469 1.440954 -2.521316 -1.641010 3.882460 1.939954
info: new grain 134 pks, i 49529 j 30615 UBI 0.328566 -1.940310 -2.178042 0.498821 2.851967 -0.486171 4.451897 -0.576206 1.183737
info: new grain 130 pks, i 49523 j 31053 UBI -1.760757 0.366654 -2.320609 -1.146062 -0.208251 2.695956 0.313980 4.602165 0.489760
info: new grain 137 pks, i 49522 j 2762 UBI -0.809500 1.204595 -2.552334 0.147706 1.652848 2.421844 4.435963 0.984357 -0.941080
info: new grain 125 pks, i 49519 j 30598 UBI -1.187648 2.681060 0.145374 -0.588754 -1.742132 -2.286862 -3.651969 -1.743553 2.270028
info: new grain 152 pks, i 49518 j 31043 UBI -1.631705 1.096943 -2.182056 2.546746 -1.338381 -0.596110 -2.222192 -4.055107 -0.377425
info: new grain 150 pks, i 49517 j 2750 UBI 0.919334 1.413472 2.402514 0.062583 -2.932479 -0.091583 4.306993 0.141550 -1.730767
info: new grain 139 pks, i 49515 j 31036 UBI 2.432510 0.138496 -1.637096 -2.636302 0.236557 -1.268007 0.131574 4.602880 0.582988
info: new grain 160 pks, i 49514 j 2745 UBI -1.731412 1.609441 -1.740691 2.708153 -0.715871 -0.878278 -1.655284 -3.880244 -1.938603
info: new grain 130 pks, i 49511 j 2741 UBI 1.563689 -1.875022 -1.629445 -1.080519 2.448441 -1.208695 3.888434 2.272388 1.119247
info: new grain 140 pks, i 49506 j 3183 UBI -0.562009 -1.993690 -2.080009 1.971899 2.120029 -0.491385 3.350038 -2.721321 1.705160
info: new grain 138 pks, i 49504 j 30571 UBI 2.173045 0.820426 -1.795397 -2.645292 -0.642283 -1.097084 -1.275944 4.436654 0.484327
info: new grain 126 pks, i 49503 j 31015 UBI -2.155545 -1.857245 -0.722991 2.761489 -0.566198 -0.817693 0.689207 -2.337928 3.951320
info: new grain 163 pks, i 49500 j 30562 UBI 1.917939 0.797435 2.074202 0.926407 -0.523196 -2.736981 -0.685636 4.461226 -1.082703
info: new grain 142 pks, i 49499 j 30560 UBI 0.991677 -2.453880 -1.271524 0.424087 2.597352 -1.296658 4.036455 0.464596 2.243704
info: new grain 126 pks, i 49497 j 3163 UBI -0.772675 -1.777012 -2.206356 1.206431 -1.118359 2.431239 -4.219372 -0.491762 1.867797
info: new grain 148 pks, i 49496 j 2714 UBI 0.250145 2.582141 1.374383 -1.228117 -0.131104 -2.663751 -4.161426 -0.634645 1.952159
info: new grain 130 pks, i 49495 j 3161 UBI 2.542127 -1.440698 -0.281161 -0.123971 2.461324 1.596122 -0.998222 -2.502523 3.778925
info: new grain 140 pks, i 49494 j 3158 UBI 1.817790 1.161374 -1.991033 0.593838 0.266389 2.862971 2.398364 -3.971495 -0.128142
info: new grain 135 pks, i 49491 j 2703 UBI -1.934417 0.770530 -2.068511 -0.922097 -0.584106 2.725339 0.555436 4.462758 1.143616
info: new grain 132 pks, i 49489 j 3148 UBI -1.345093 1.884306 -1.805227 1.015811 0.926477 2.592927 4.076466 1.029908 -1.963478
info: new grain 130 pks, i 49487 j 2696 UBI -2.124256 -1.953809 -0.537473 2.229815 0.296566 -1.884422 2.388954 -3.235141 2.316493
info: new grain 136 pks, i 49486 j 30537 UBI 2.168192 -0.324877 -1.951577 0.616056 0.777226 2.763066 0.384059 -4.475329 1.171385
info: new grain 132 pks, i 49485 j 30984 UBI -0.639604 -2.149348 -1.894542 2.311190 1.745478 -0.485515 2.703031 -2.912354 2.395941
info: new grain 138 pks, i 49484 j 2693 UBI 2.256385 1.772996 -0.620560 -2.715064 0.727061 -0.847074 -0.653558 2.238107 4.013207
info: new grain 150 pks, i 49478 j 3572 UBI -1.434221 0.989643 2.361661 2.868198 -0.603160 0.170166 0.995031 4.365236 -1.224333
info: new grain 136 pks, i 49477 j 30965 UBI 0.542324 2.850723 -0.449161 1.958292 -1.662157 1.423282 2.057728 -1.026699 -4.030121
info: new grain 131 pks, i 49465 j 3552 UBI -2.360484 0.159737 -1.737483 -0.165686 0.908923 2.786192 1.258436 4.268080 -1.314956
info: new grain 140 pks, i 49448 j 3517 UBI -0.190732 2.158848 -1.979021 1.165594 0.529065 2.641856 4.198625 -1.124036 -1.630304
info: new grain 131 pks, i 49443 j 3055 UBI 2.213576 1.248929 -1.467596 -2.414814 -0.857309 -1.434909 -1.898119 4.177652 0.694992
info: new grain 133 pks, i 49442 j 30896 UBI 1.898441 0.151051 2.232169 -2.884421 0.178393 0.514791 -0.198887 -4.611543 0.478478
info: new grain 149 pks, i 49440 j 3500 UBI -2.800337 0.162411 0.861026 0.831992 1.236722 -2.531276 -0.917275 -3.959902 -2.236869
info: new grain 132 pks, i 49421 j 3027 UBI -0.792604 -2.171023 -1.810760 0.223102 2.747208 -1.010426 4.458049 -0.748451 -1.054145
info: new grain 130 pks, i 49418 j 30866 UBI -2.176047 -1.117150 -1.622389 -0.615494 1.547675 2.418163 -0.114909 3.893052 -2.523702
info: new grain 122 pks, i 49405 j 2999 UBI 1.473850 -1.479602 -2.062815 -0.574572 2.854603 -0.370222 4.003858 1.075707 2.087928
info: new grain 136 pks, i 49382 j 3406 UBI 0.674715 1.183367 -2.601212 -1.679277 -2.405134 0.129381 -3.796623 2.659573 0.226462
info: new grain 143 pks, i 49363 j 2916 UBI -0.941663 2.594789 -0.995783 -0.415511 -2.425057 -1.601423 -4.087080 -0.682191 2.093965
info: new grain 143 pks, i 49362 j 2915 UBI 2.856587 0.638338 -0.216845 -1.999989 1.825795 -1.130774 -0.201848 2.280287 4.038549
info: new grain 140 pks, i 49354 j 31193 UBI 1.933451 -0.179808 -2.203424 0.728868 -0.965243 2.674976 -1.622718 -4.210322 -1.077690
info: new grain 142 pks, i 49334 j 2801 UBI -2.183292 -1.937586 0.309969 2.677461 -0.626307 1.031345 -1.118786 1.914261 4.076493
info: new grain 139 pks, i 49325 j 31135 UBI 2.682941 0.405544 -1.122395 -0.320238 -1.354372 2.584577 -0.291125 -4.088856 -2.177156
info: new grain 149 pks, i 49312 j 3269 UBI 0.593815 2.549079 -1.324243 0.249401 -0.234531 2.916995 4.436221 -1.281959 -0.481939
info: new grain 145 pks, i 49308 j 2814 UBI -0.423224 -1.411619 2.539140 0.821457 -1.494220 -2.390661 4.455442 0.664076 1.111714
info: new grain 139 pks, i 49303 j 3251 UBI -2.668222 0.371359 1.164373 0.579432 -2.383947 -1.613946 1.352915 -2.258373 3.822384
info: new grain 142 pks, i 49300 j 3247 UBI 2.588354 -1.117101 -0.820623 -1.153842 -0.728032 2.598939 -2.178929 -3.590676 -1.972798
info: new grain 128 pks, i 49293 j 2776 UBI 1.674052 -0.665765 2.316947 -2.543198 1.419996 0.383249 -2.204275 -4.061992 0.422319
info: new grain 126 pks, i 49291 j 30613 UBI 0.374708 -1.384974 -2.561614 0.821177 -1.295255 2.503376 -4.218323 -1.890835 0.405044
info: new grain 116 pks, i 49290 j 2767 UBI -0.193513 -2.920418 0.223434 1.304049 1.550789 2.124577 -4.072179 0.435425 2.181542
info: new grain 140 pks, i 49287 j 2760 UBI -2.092699 -1.247335 1.640871 -0.699381 1.276024 -2.548588 0.674018 -4.027711 -2.203875
info: new grain 132 pks, i 49272 j 3178 UBI -1.633946 -2.383091 -0.516552 -1.183974 2.329777 1.337197 -1.234611 1.738863 -4.122861
info: new grain 141 pks, i 49271 j 31018 UBI -1.492448 -1.550577 1.996118 1.962773 2.003238 0.866860 -3.321765 3.240221 0.033468
info: new grain 134 pks, i 49270 j 3170 UBI 0.685196 -2.263964 -1.739459 -0.959602 -0.486158 2.731258 -4.369584 -0.124310 -1.558013
info: new grain 128 pks, i 49264 j 30997 UBI 0.998400 -2.332721 -1.476601 -0.253110 2.594091 -1.351415 4.340212 1.071289 1.245063
info: new grain 152 pks, i 49263 j 2706 UBI -0.898813 -1.451068 -2.390734 1.022196 -1.481037 2.319771 -4.290802 -0.225153 1.748469
info: new grain 133 pks, i 49262 j 30546 UBI -1.849913 2.190671 0.630965 -0.496403 -2.691519 1.061749 2.500678 1.027207 3.771047
info: new grain 136 pks, i 49259 j 30988 UBI -1.863651 -1.051700 2.008054 0.589148 -1.561479 -2.415406 3.529691 -2.060697 2.197588
info: new grain 142 pks, i 49255 j 30981 UBI -1.530693 -1.910942 -1.618349 2.672184 0.850211 -0.870614 1.892605 -3.517679 2.363671
info: new grain 142 pks, i 49254 j 30532 UBI -1.784312 1.377608 -1.881407 2.367507 -1.421210 -0.995173 -2.515789 -3.875461 -0.452262
info: new grain 148 pks, i 49251 j 30529 UBI -1.169081 -2.446157 -1.128658 1.771844 1.673246 -1.638650 3.661943 -2.433048 1.478805
info: new grain 139 pks, i 49250 j 2686 UBI -1.292984 -2.617852 -0.312723 1.871356 0.969149 -2.046182 3.515652 -2.006950 2.265748
info: new grain 149 pks, i 49249 j 2685 UBI 0.993051 1.978290 1.929938 -0.345989 0.744560 -2.819283 -4.356563 1.322386 0.885549
info: new grain 134 pks, i 49234 j 3101 UBI 1.365803 -2.378906 1.042446 -2.859613 0.403220 0.533608 -1.052079 -2.304939 -3.889440
info: new grain 132 pks, i 49230 j 3541 UBI 2.191959 -0.719083 1.816974 -2.715105 0.371814 1.051313 -0.892264 -4.498523 -0.706156
info: new grain 133 pks, i 49229 j 3092 UBI -2.108074 -0.900549 -1.831919 2.810742 -0.104817 -0.836195 0.350795 -4.298671 1.713907
info: new grain 138 pks, i 49182 j 3448 UBI -2.148893 0.726504 -1.862057 2.788768 -0.019079 -0.915549 -0.438353 -4.452018 -1.234562
info: Number of orientations with more than 80 peaks is 313
info: Time taken 0.094/s
info: UBI for best fitting
[[ 1.12752565 -1.02384446 2.50886884]
[-0.83885387 2.80822519 -0.19565812]
[-4.25358391 -1.1707069 1.43556285]]
info: Unit cell: (2.9349607182321216, 2.937360484055397, 4.639436544073064, 90.00148324013118, 89.98217690281759, 120.01056629251222)
info: Indexes 170 peaks, with <drlv2>=0.006737
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 15407
info: Tried r1=6 r2=1 attempt 5 of 144, got 313 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 514
info: Number of peaks in ring 2: 1522
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 514
info: Time taken 0.002098 /s
info: Scoring 514 potential orientations
info: new grain 111 pks, i 31417 j 16058 UBI 1.676741 -1.066228 2.160687 1.224035 0.822904 -2.539032 0.577597 4.291729 1.669890
info: new grain 150 pks, i 31416 j 16057 UBI -0.975208 2.439253 -1.309559 -1.903619 -2.044493 0.898422 -0.302066 2.091486 4.133710
info: new grain 141 pks, i 31397 j 16918 UBI 2.403063 -1.052436 1.320637 -2.341316 -1.727961 -0.382576 1.670935 -1.348892 -4.114090
info: new grain 138 pks, i 31392 j 15591 UBI 1.849639 2.054011 0.989111 1.022042 -2.633665 -0.796113 0.603821 1.544199 -4.334615
info: new grain 130 pks, i 31390 j 44753 UBI 1.684586 -1.016332 2.177864 -2.184028 1.873621 0.585162 -2.906261 -3.570583 0.583213
info: new grain 149 pks, i 31388 j 44310 UBI -2.284351 1.434234 -1.161717 2.560598 1.383007 0.375114 1.331652 -1.317333 -4.244900
info: new grain 124 pks, i 31375 j 16455 UBI 2.346221 1.532120 -0.874539 0.232643 -2.884136 0.498852 -1.093229 -0.854435 -4.428553
info: new grain 151 pks, i 31374 j 15130 UBI -0.283263 -2.572321 1.384242 2.543752 0.700992 -1.287380 1.455574 1.963967 3.945161
info: new grain 120 pks, i 31365 j 44729 UBI -0.689830 -2.801018 -0.544065 0.203416 0.950209 2.770241 -4.503700 1.119287 -0.053372
info: new grain 145 pks, i 31334 j 14652 UBI 2.446818 0.077441 1.621259 0.139824 0.487902 -2.889483 -0.629533 4.541272 0.731402
info: new grain 144 pks, i 31331 j 16854 UBI 2.848310 -0.631889 0.316614 -1.892083 -2.103043 -0.787411 0.720505 1.023595 -4.468573
info: new grain 141 pks, i 31327 j 16850 UBI 0.192350 -0.173064 2.924735 -2.223788 -1.303090 -1.405011 2.520228 -3.876703 -0.396648
info: new grain 131 pks, i 31323 j 43808 UBI -0.705639 -1.223333 -2.574299 2.728857 -0.262745 1.053876 -1.222059 -3.902427 2.191985
info: new grain 138 pks, i 31322 j 44247 UBI 0.814048 2.385927 -1.503790 2.035825 -1.835917 1.054684 -0.152927 -2.435710 -3.945482
info: new grain 148 pks, i 31318 j 15961 UBI 1.224596 2.531685 0.843407 1.695515 -2.236424 -0.858186 -0.177814 1.542418 -4.374175
info: new grain 160 pks, i 31311 j 42471 UBI -0.567024 -1.752357 -2.284914 1.685440 2.376583 -0.356349 3.767358 -2.520103 1.003625
info: new grain 126 pks, i 31307 j 15950 UBI 1.119147 2.707863 0.187047 1.717678 -2.333170 0.468956 1.062033 -0.128402 -4.514767
info: new grain 152 pks, i 31287 j 16370 UBI 2.070375 -1.917078 0.808630 0.734634 2.768544 -0.642246 -0.625960 1.194940 4.440658
info: new grain 134 pks, i 31282 j 15926 UBI 0.337357 -2.868863 -0.530750 -2.454185 0.977718 1.279293 -1.956434 0.545001 -4.171782
info: new grain 139 pks, i 31266 j 15468 UBI -1.546803 -1.587536 1.927066 -0.577434 -0.206363 -2.871040 3.081869 -3.448905 -0.371567
info: new grain 138 pks, i 31261 j 15463 UBI 1.152412 2.478243 -1.073350 -1.408856 -1.856926 -1.785290 -3.987242 2.217324 0.843167
info: new grain 130 pks, i 31255 j 44181 UBI -1.753013 -0.101352 -2.352803 -0.771235 -1.396262 2.465933 -2.194504 3.816609 1.468133
info: new grain 128 pks, i 31241 j 16325 UBI -0.888410 -0.015648 -2.798554 -1.780526 -0.995836 2.112483 -1.753538 4.262954 0.531393
info: new grain 126 pks, i 31239 j 16763 UBI 1.361536 2.063803 1.583261 -0.787104 0.557848 -2.772486 -4.108288 1.573456 1.482012
info: new grain 139 pks, i 31235 j 15879 UBI 1.836828 -0.762504 2.160061 0.544434 -0.849250 -2.756842 2.445984 3.877170 -0.712887
info: new grain 126 pks, i 31232 j 43718 UBI -2.122373 0.884227 -1.824961 -0.498085 -0.101235 2.891068 1.477135 4.381654 0.407011
info: new grain 131 pks, i 31228 j 15430 UBI -2.356409 -1.706875 0.381227 2.680004 -1.195589 -0.086464 0.371707 0.505973 4.598929
info: new grain 147 pks, i 31226 j 14545 UBI 2.555763 0.443671 1.375791 -0.561416 -2.594486 -1.255133 1.873744 1.513944 -3.966223
info: new grain 129 pks, i 31223 j 14984 UBI 1.827871 0.643767 2.204380 0.146218 1.505851 -2.518565 -3.070776 3.063134 1.652125
info: new grain 137 pks, i 31217 j 16302 UBI 0.312470 -1.572846 2.459179 -1.014127 -1.277446 -2.441795 4.339526 -1.075733 -1.240152
info: new grain 144 pks, i 31216 j 15861 UBI -2.079874 -1.786841 -1.052029 2.648674 -1.070466 0.673204 -1.448923 -0.863594 4.321117
info: new grain 133 pks, i 31214 j 42817 UBI 0.012846 -0.722789 -2.845611 1.939144 -1.222195 1.833168 -2.987777 -3.444854 0.862792
info: new grain 144 pks, i 31203 j 44130 UBI 1.245152 2.580348 -0.641656 -2.684329 -0.079816 1.187453 1.872307 0.149829 4.242557
info: new grain 136 pks, i 31191 j 14511 UBI -0.635164 -0.014788 2.865812 0.345598 2.549920 -1.411599 -4.530977 0.057991 -1.002979
info: new grain 137 pks, i 31189 j 14950 UBI 0.861993 0.471873 -2.767698 -1.241223 2.169055 1.541942 4.181475 1.306657 1.525344
info: new grain 118 pks, i 31187 j 15833 UBI 1.645069 -1.218435 2.103183 0.099915 -1.056545 -2.733994 3.456483 2.932031 -1.005189
info: new grain 131 pks, i 31182 j 15828 UBI 1.358289 -2.462725 -0.843679 -2.933076 0.130508 0.003736 0.064301 1.539001 -4.377835
info: new grain 135 pks, i 31179 j 44546 UBI -1.616938 -1.990631 -1.428201 2.727121 -0.665829 0.855652 -1.650906 -1.562579 4.047492
info: new grain 138 pks, i 31177 j 42780 UBI -1.342420 2.196450 -1.410031 1.363469 0.508790 2.548958 3.930786 0.933734 -2.286904
info: new grain 142 pks, i 31175 j 43663 UBI 0.368266 2.698355 -1.091957 0.395462 -0.489841 2.867824 4.482579 -0.926701 -0.775447
info: new grain 174 pks, i 31170 j 15816 UBI 0.671817 -2.101357 1.935313 0.192183 2.825001 0.774619 -4.415091 -0.093873 1.431809
info: new grain 128 pks, i 31167 j 44094 UBI -0.718524 -0.484609 2.805797 -2.027829 0.969012 -1.888289 -1.122945 -4.380002 -1.044111
info: new grain 151 pks, i 31156 j 43202 UBI 1.986594 -0.699026 2.046363 0.842731 0.435843 -2.778789 0.653349 4.504588 0.906785
info: new grain 128 pks, i 31155 j 15359 UBI -0.416676 -1.924110 -2.176113 0.158659 -0.938533 2.777193 -4.593228 0.503411 0.432641
info: new grain 124 pks, i 31154 j 14915 UBI 0.583300 -1.818649 2.228750 -2.588030 1.381588 -0.128690 -1.767154 -3.540158 -2.425147
info: new grain 128 pks, i 31152 j 44519 UBI -0.500757 2.496646 1.458499 -2.242923 -1.490480 -1.166415 -0.460114 -2.397372 3.948558
info: new grain 123 pks, i 31141 j 16666 UBI 1.388007 -0.686044 2.494386 -2.054043 -1.798677 -1.079694 3.250272 -2.252673 -2.428280
info: new grain 137 pks, i 31140 j 14460 UBI 2.645677 -0.586840 -1.131877 -0.995404 2.762167 0.054240 1.923205 0.609837 4.178056
info: new grain 130 pks, i 31137 j 15341 UBI 0.320565 2.490407 1.520359 -2.625104 -0.722379 -1.099393 -1.020356 -2.263048 3.921877
info: new grain 151 pks, i 31132 j 16217 UBI 0.066145 -1.516151 -2.513153 2.504712 0.668413 1.375211 -0.255015 -3.970010 2.391314
info: new grain 127 pks, i 31127 j 43615 UBI 0.904926 1.754002 -2.172927 1.208804 0.223392 2.666308 3.213443 -3.129373 -1.192997
info: new grain 142 pks, i 31114 j 14875 UBI 2.492465 1.337135 0.780663 0.056418 -2.787960 -0.921713 0.582055 1.455849 -4.366784
info: new grain 137 pks, i 31106 j 16191 UBI 0.554463 -0.722698 -2.789343 2.206822 0.209073 1.924846 -0.500465 -4.490392 1.060182
info: new grain 131 pks, i 31099 j 44026 UBI -0.448784 -0.067326 -2.900559 -0.628108 -2.354857 1.637557 -4.313828 1.587079 0.630599
info: new grain 145 pks, i 31097 j 16624 UBI -0.996236 2.316320 1.502467 2.602805 0.136729 -1.354764 -2.078354 1.590005 -3.831675
info: new grain 143 pks, i 31096 j 14857 UBI 1.232814 0.926531 -2.496887 -2.194338 1.531160 1.212407 3.072184 2.477314 2.438365
info: new grain 136 pks, i 31094 j 15300 UBI 2.230241 0.739516 1.761624 -0.363711 1.378092 -2.567211 -2.687037 3.162057 2.076665
info: new grain 134 pks, i 31086 j 16613 UBI -1.421922 -0.526008 2.514653 1.025647 -2.235667 -1.602480 4.017529 0.185812 2.314005
info: new grain 149 pks, i 31085 j 15733 UBI -2.427733 0.860876 1.409945 0.177802 0.278061 -2.916580 -1.806212 -4.242525 -0.517030
info: new grain 133 pks, i 31083 j 44452 UBI 0.281059 0.663760 -2.844372 -0.500638 2.127449 1.958555 4.574451 0.549527 0.575744
info: new grain 126 pks, i 31080 j 16607 UBI -1.534364 -2.432816 0.584500 2.931409 -0.107647 -0.131098 0.237243 0.940976 4.538714
info: new grain 150 pks, i 31079 j 14401 UBI 1.172560 -0.094767 -2.690879 -1.749049 2.230856 0.760802 3.685114 2.371071 1.524202
info: new grain 144 pks, i 31073 j 16161 UBI 2.134171 1.945878 0.525241 -2.675924 0.928188 -0.771837 -1.239056 0.145475 4.470796
info: new grain 132 pks, i 31070 j 14392 UBI -2.696103 0.142242 -1.153032 0.487286 0.992702 2.720030 0.950642 4.210012 -1.705726
info: new grain 158 pks, i 31069 j 16157 UBI 1.965734 -2.171227 0.189176 0.745928 2.730141 0.780858 -1.373917 -0.866910 4.348980
info: new grain 132 pks, i 31060 j 44429 UBI -0.280309 2.757070 -0.966615 2.638354 -1.017640 0.786904 0.738283 -1.447920 -4.347270
info: new grain 124 pks, i 31059 j 44428 UBI -0.572361 0.328485 -2.861749 -1.887445 1.023712 2.003342 2.230230 4.067603 0.020922
info: new grain 136 pks, i 31054 j 16581 UBI -1.408781 0.381743 -2.546572 -0.408916 -2.459326 1.548232 -3.529532 2.005484 2.252753
info: new grain 145 pks, i 31051 j 15699 UBI -0.032626 2.250402 -1.883672 -0.029112 0.505336 2.892604 4.639149 0.091826 0.029808
info: new grain 153 pks, i 31047 j 16136 UBI 1.255956 -0.544500 -2.594261 1.660606 0.249497 2.407913 -0.415985 -4.561173 0.757762
info: new grain 128 pks, i 31042 j 43089 UBI -2.040318 -0.335317 -2.084767 -0.705281 1.263171 2.554269 1.104501 4.154087 -1.750110
info: new grain 139 pks, i 31041 j 16129 UBI 2.732755 1.037511 0.285409 -0.566991 -2.821138 0.577223 0.870374 -1.078981 -4.428673
info: new grain 136 pks, i 31039 j 14360 UBI -1.017417 -0.742311 -2.650718 -0.397053 -1.804247 2.283232 -4.026768 2.102981 0.955112
info: new grain 144 pks, i 31034 j 43523 UBI 0.318371 -2.648888 1.227255 1.210006 2.356385 1.262631 -3.879840 0.671477 2.456695
info: new grain 143 pks, i 31029 j 16118 UBI 0.187587 -1.785333 2.324194 0.935688 -0.909931 -2.629280 4.233808 1.657581 0.932173
info: new grain 158 pks, i 31028 j 15675 UBI 2.224652 1.613093 1.033303 -2.401521 1.316932 -1.057701 -1.907199 -0.079786 4.229909
info: new grain 132 pks, i 31027 j 14792 UBI 1.145145 -2.154824 1.634180 0.351062 -0.021088 -2.914964 3.925165 2.432446 0.457841
info: new grain 127 pks, i 31026 j 43957 UBI -2.706577 0.049323 -1.136320 0.378031 0.237815 2.902126 0.256728 4.614360 -0.411214
info: new grain 137 pks, i 31024 j 14347 UBI -2.834722 0.726327 -0.229619 2.018958 2.086026 0.447348 0.502587 0.500583 -4.585832
info: new grain 130 pks, i 31023 j 15228 UBI 2.727172 0.809631 -0.724092 -1.956093 2.020194 0.840114 1.334429 -0.541525 4.413769
info: new grain 125 pks, i 31021 j 16110 UBI 0.992930 0.378154 2.736976 -1.346821 -2.501231 -0.739144 4.081134 -1.836392 -1.226762
info: new grain 138 pks, i 31014 j 42180 UBI -0.403991 -2.724326 1.014527 -0.435082 0.588328 -2.843417 4.447478 -0.987566 -0.883989
info: new grain 143 pks, i 31013 j 43944 UBI -0.539215 -2.085054 -1.993459 0.633706 -0.744084 2.768779 -4.514161 0.148003 1.071243
info: new grain 134 pks, i 31007 j 15654 UBI 0.941380 -1.654643 -2.234678 1.081555 -0.424012 2.695352 -3.362475 -3.080740 0.864882
info: new grain 147 pks, i 31001 j 42608 UBI -2.656613 1.151076 -0.479182 1.382618 -1.445260 -2.149799 -1.966548 -3.963204 1.400071
info: new grain 142 pks, i 30998 j 42605 UBI 0.720491 -2.693772 0.919398 0.005289 2.246668 1.889587 -4.450789 -0.843486 1.015857
info: new grain 129 pks, i 30987 j 15634 UBI 1.007599 1.921647 -1.978558 0.984272 0.086771 2.764537 3.408730 -2.942987 -1.120861
info: new grain 122 pks, i 30964 j 42571 UBI 2.026211 0.223743 -2.111597 0.541599 1.088887 2.669233 1.804885 -4.075833 1.295189
info: new grain 118 pks, i 30961 j 44332 UBI 1.280910 2.212156 1.445708 -2.461017 0.474801 -1.536427 -2.539726 -0.985603 3.756268
info: new grain 134 pks, i 30924 j 43413 UBI 1.045397 2.362408 -1.396933 0.700354 -0.472454 2.811013 3.716455 -2.432066 -1.339693
info: new grain 149 pks, i 30908 j 42515 UBI -2.639002 -1.276590 -0.140132 1.388409 0.776914 -2.467990 2.026025 -4.172446 -0.173924
info: new grain 132 pks, i 30892 j 16422 UBI 0.286035 -2.817170 -0.766319 2.375721 1.579855 0.697154 -0.472747 -1.255862 4.444034
info: new grain 132 pks, i 30824 j 15031 UBI 2.321324 -0.469550 1.734382 0.194691 -0.513949 -2.884273 1.394341 4.372401 -0.685038
info: new grain 142 pks, i 30788 j 44602 UBI 0.571967 -2.338080 1.679880 1.266910 0.260145 -2.634691 3.564616 2.267333 1.929107
info: new grain 148 pks, i 30777 j 15427 UBI -2.522020 -0.355148 -1.462001 -0.026634 0.309460 2.919490 -0.363952 4.598713 -0.491654
info: new grain 148 pks, i 30770 j 42821 UBI 2.552957 -0.476585 -1.369462 -0.190524 -0.340698 2.909353 -1.152827 -4.455057 -0.594658
info: new grain 131 pks, i 30764 j 42374 UBI -2.778958 -0.746430 -0.581396 0.641585 2.744905 0.819969 0.611824 1.186675 -4.445324
info: new grain 150 pks, i 30751 j 43244 UBI 2.072787 1.352624 -1.577262 0.512490 -0.698778 2.804186 1.676199 -4.119110 -1.330214
info: new grain 127 pks, i 30723 j 14491 UBI 0.679615 -0.519496 -2.808255 1.787020 -0.923622 2.137998 -2.304565 -4.023551 0.186220
info: new grain 130 pks, i 30718 j 15812 UBI -2.555858 0.481937 -1.360764 0.833913 -2.742583 0.626135 -2.135561 0.287318 4.113998
info: Number of orientations with more than 80 peaks is 413
info: Time taken 0.092/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 3965
info: Tried r1=1 r2=4 attempt 6 of 144, got 413 grains
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 402
info: Number of peaks in ring 2: 112
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 258
info: Time taken 0.000646 /s
info: Scoring 258 potential orientations
info: new grain 142 pks, i 44732 j 31368 UBI -0.747721 -0.319507 2.821382 -1.900252 -0.731145 -2.113919 1.703908 -4.316707 -0.038125
info: new grain 138 pks, i 44725 j 31361 UBI 1.784796 -2.329753 -0.070923 -2.847314 -0.311712 -0.644212 0.920536 0.842954 -4.471707
info: new grain 153 pks, i 44721 j 30909 UBI -2.802123 0.712380 -0.505799 1.898385 2.055728 0.886213 1.040162 0.946134 -4.422618
info: new grain 146 pks, i 44551 j 2894 UBI -0.966449 2.719647 -0.539855 2.771948 -0.725012 -0.636690 -1.318829 -1.310272 -4.252592
info: new grain 136 pks, i 44501 j 3292 UBI -2.913740 0.305945 -0.179422 1.752605 2.308054 -0.473895 0.165077 -1.058646 -4.517140
info: new grain 141 pks, i 44497 j 3288 UBI -0.384560 1.578957 2.442134 1.577890 1.095871 -2.222388 -3.842841 1.859345 -1.813671
info: new grain 140 pks, i 44490 j 30675 UBI -1.958597 -1.819012 -1.214954 -0.199021 0.679086 2.849441 -2.711723 3.612483 -1.051479
info: new grain 132 pks, i 44489 j 3280 UBI 2.118551 0.440300 1.985358 -2.239581 -1.797442 0.614481 2.384553 -3.573143 -1.754105
info: new grain 135 pks, i 44477 j 2818 UBI 0.386935 -2.834366 -0.664351 -0.891187 0.769925 2.688891 -4.419514 -0.280272 -1.387008
info: new grain 136 pks, i 44476 j 30659 UBI 1.861394 1.661975 -1.547527 -2.708896 0.977012 0.579211 1.537043 1.933749 3.926612
info: new grain 145 pks, i 44440 j 3229 UBI -2.902857 -0.066694 -0.443824 1.503320 2.470067 -0.496655 0.701224 -1.309748 -4.395514
info: new grain 130 pks, i 44433 j 31064 UBI 0.441385 -2.862009 -0.493835 -2.702867 0.991712 0.566693 -0.706145 0.676340 -4.536857
info: new grain 144 pks, i 44427 j 3216 UBI -0.612652 -0.768361 -2.766738 0.520788 2.812763 0.661566 4.520317 -0.644300 -0.823820
info: new grain 137 pks, i 44424 j 2765 UBI -2.626365 -1.070622 -0.758746 1.200291 -0.742373 2.574569 -2.064037 3.639309 2.008045
info: new grain 130 pks, i 44398 j 2740 UBI 0.631285 -2.852528 -0.285771 -1.405164 0.961572 2.390628 -4.073856 -0.691235 -2.115323
info: new grain 129 pks, i 44387 j 2726 UBI 0.104682 2.844566 -0.718734 2.412305 -1.356378 0.977947 1.123629 -1.141449 -4.356276
info: new grain 139 pks, i 44366 j 30547 UBI -0.489968 2.805536 -0.713054 2.741872 -1.047011 0.039581 -0.392513 -1.203086 -4.464637
info: new grain 132 pks, i 44363 j 30544 UBI -1.362316 -2.355389 1.100873 1.432349 -0.192845 -2.554239 3.877738 -1.182284 2.264384
info: new grain 134 pks, i 44188 j 31263 UBI 2.071198 -1.617265 -1.307366 -0.430501 -0.227302 2.895134 -3.097136 -3.380249 -0.725990
info: new grain 145 pks, i 44115 j 30740 UBI 2.608494 -0.775331 1.100254 -0.418132 2.728929 -0.998807 -1.382420 1.329957 4.224839
info: new grain 128 pks, i 44037 j 3268 UBI -2.159113 -1.112808 1.650013 -0.170702 -0.131034 -2.929181 2.160021 -4.107041 0.057618
info: new grain 156 pks, i 43940 j 3167 UBI 2.589742 0.362064 -1.338257 -1.060710 -2.700758 0.436325 -2.148092 0.178456 -4.109290
info: new grain 128 pks, i 43762 j 30828 UBI -0.256303 -0.977326 -2.756175 -1.559999 -1.248738 2.150294 -3.448671 3.014966 -0.746939
info: new grain 128 pks, i 43673 j 3343 UBI -1.867784 1.495195 1.703870 -0.836094 -0.886067 -2.672680 -1.542786 -3.985335 1.804733
info: new grain 133 pks, i 43589 j 3258 UBI -1.615424 -0.326642 -2.429854 -1.217587 -0.415024 2.638602 -1.164108 4.489446 0.170091
info: new grain 132 pks, i 43585 j 31095 UBI 2.665130 -0.755514 0.972343 -0.577677 2.798148 -0.674566 -1.373439 0.768539 4.365230
info: new grain 150 pks, i 43506 j 31017 UBI 0.667643 -2.109953 1.929782 1.155506 -0.060815 -2.698093 3.608765 2.506704 1.490607
info: new grain 126 pks, i 43495 j 3164 UBI 1.576989 1.856209 -1.636589 1.208597 -2.495123 0.968050 -1.421426 -2.182849 -3.842378
info: new grain 122 pks, i 43467 j 3136 UBI 2.232399 -1.102766 1.555348 -2.284124 -1.706882 -0.704541 2.133100 -1.234393 -3.932331
info: Number of orientations with more than 80 peaks is 442
info: Time taken 0.026/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 809
info: Tried r1=4 r2=1 attempt 7 of 144, got 442 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 30
info: Number of peaks in ring 2: 30
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 8
info: Time taken 0.000061 /s
info: Scoring 8 potential orientations
info: new grain 148 pks, i 49387 j 49162 UBI -1.083042 -0.616299 -2.657364 0.980952 -2.165935 1.724149 -4.237554 -0.461613 1.833057
info: Number of orientations with more than 80 peaks is 443
info: Time taken 0.001/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 711
info: Tried r1=6 r2=6 attempt 8 of 144, got 443 grains
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 30.000000 0.866025
info: 90.000000 0.000000
info: 150.000000 -0.866025
info: Number of peaks in ring 1: 76
info: Number of peaks in ring 2: 22
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 53
info: Time taken 0.000127 /s
info: Scoring 53 potential orientations
info: new grain 144 pks, i 44750 j 49683 UBI -2.770731 -0.094209 -0.969571 2.227252 -0.157667 -1.903478 0.016650 -4.624533 0.404335
info: new grain 145 pks, i 44665 j 21104 UBI 2.044365 -1.260288 1.688388 -2.414318 1.149152 1.220231 -2.163068 -4.081821 -0.427287
info: new grain 143 pks, i 44472 j 20993 UBI -1.093155 -1.562447 -2.232626 0.484593 2.877541 -0.319019 4.305927 -0.889982 -1.489319
info: new grain 171 pks, i 44471 j 48835 UBI 1.384850 0.131153 -2.585865 1.368743 -1.114361 2.345899 -1.598963 -4.224720 -1.071083
info: new grain 161 pks, i 43997 j 20976 UBI 1.572345 -2.323396 -0.871343 -0.910151 0.192240 2.783420 -3.910451 -2.227682 -1.125837
info: Number of orientations with more than 80 peaks is 448
info: Time taken 0.005/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 223
info: Tried r1=4 r2=6 attempt 9 of 144, got 448 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 30.000000 0.866025
info: 90.000000 0.000000
info: 150.000000 -0.866025
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 21
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 2
info: Time taken 0.000023 /s
info: Scoring 2 potential orientations
info: Number of orientations with more than 80 peaks is 448
info: Time taken 0.004/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 223
info: Tried r1=6 r2=4 attempt 10 of 144, got 448 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, -1, 0), (1, -1, 0), (-1, 0, 0), (1, 0, 0), (-1, 1, 0), (0, 1, 0)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 22
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.000063 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(0, -1, 0), (1, -1, 0), (-1, 0, 0), (1, 0, 0), (-1, 1, 0), (0, 1, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 22
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.000021 /s
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 21
info: Number of peaks in ring 2: 21
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 21
info: Time taken 0.000047 /s
info: Scoring 21 potential orientations
info: new grain 130 pks, i 44414 j 15251 UBI -0.051261 2.934436 -0.004492 -2.512387 -1.514183 -0.156680 -0.292080 0.002905 4.631210
info: new grain 136 pks, i 44331 j 16049 UBI -1.956937 2.184472 0.131150 -0.915190 -2.777992 -0.246350 -0.107943 -0.375245 4.625349
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.002/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 5
info: Tried r1=4 r2=4 attempt 11 of 144, got 450 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Possible angles and cosines between peaks in rings:
info: 15.318545 0.964472
info: 61.168460 0.482236
info: 118.831540 -0.482236
info: 164.681455 -0.964472
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 2
info: Time taken 0.000022 /s
info: Scoring 2 potential orientations
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.002/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 5
info: Tried r1=6 r2=8 attempt 12 of 144, got 450 grains
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 15.318545 0.964472
info: 61.168460 0.482236
info: 118.831540 -0.482236
info: 164.681455 -0.964472
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 2
info: Time taken 0.000023 /s
info: Scoring 2 potential orientations
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.002/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 5
info: Tried r1=8 r2=6 attempt 13 of 144, got 450 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Possible angles and cosines between peaks in rings:
info: 33.357369 0.835257
info: 90.000000 0.000000
info: 146.642631 -0.835257
info: Number of peaks in ring 1: 1
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1
info: Time taken 0.000024 /s
info: Scoring 1 potential orientations
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.006/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 5
info: Tried r1=4 r2=8 attempt 14 of 144, got 450 grains
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Ring 2: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 33.357369 0.835257
info: 90.000000 0.000000
info: 146.642631 -0.835257
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 1
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 2
info: Time taken 0.000023 /s
info: Scoring 2 potential orientations
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.005/s
info: UBI for best fitting
[[ 0.67181652 -2.10135695 1.9353126 ]
[ 0.19218281 2.82500088 0.77461945]
[-4.41509088 -0.09387304 1.43180939]]
info: Unit cell: (2.934701572954994, 2.935574816349761, 4.642404309956197, 90.01929142389004, 89.99104847053532, 120.00441461446499)
info: Indexes 175 peaks, with <drlv2>=0.007332
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 5
info: Tried r1=8 r2=4 attempt 15 of 144, got 450 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Ring 2: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Possible angles and cosines between peaks in rings:
info: 30.637089 0.860412
info: 57.663079 0.534897
info: 66.714738 0.395309
info: 113.285262 -0.395309
info: 122.336921 -0.534897
info: 149.362911 -0.860412
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 0
info: Time taken 0.000028 /s
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info:
Tested 15 pairs and found 450 grains so far
Combined scattering vectors#
[21]:
# make an indexer
idx_both = ImageD11.indexing.indexer(unitcell=ref_unitcell, gv=q_sample_cat, minpks=160)
idx_both.ds_tol = 0.005
idx_both.assigntorings()
idx_both.hkl_tol = 0.02
idx_both.cosine_tol = 0.002
idx_both.score_all_pairs()
idx_both.saveubis('grains_found_avg.ubi')
info: gv: Array(shape=(111392, 3), dtype=float64) (111392, 3) float64
info: Assign to rings, maximum d-spacing considered: 0.949593
info: Ring assignment array shape (111392,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( 0, -1, -4) 12 1290 0 1290 N/A N/A -56.55
info: Ring 10 ( 0, -2, -2) 12 3672 0 3672 N/A N/A -53.29
info: Ring 9 ( 0, 0, -4) 2 886 0 886 N/A N/A -51.06
info: Ring 8 ( -2, 0, -1) 12 8668 0 8668 N/A N/A -48.14
info: Ring 7 ( 1, -2, -2) 12 9416 0 9416 N/A N/A -47.54
info: Ring 6 ( 0, -2, 0) 6 5522 0 5522 N/A N/A -46.32
info: Ring 5 ( 0, -1, -3) 12 14146 0 14146 N/A N/A -44.46
info: Ring 4 ( 1, -2, 0) 6 10584 0 10584 N/A N/A -39.83
info: Ring 3 ( 0, -1, -2) 12 21386 0 21386 N/A N/A -33.92
info: Ring 2 ( 0, -1, -1) 12 21494 0 21494 N/A N/A -25.92
info: Ring 1 ( 0, 0, -2) 2 3584 0 3584 N/A N/A -24.89
info: Ring 0 ( 0, -1, 0) 6 10744 0 10744 N/A N/A -22.68
info: Using only those peaks which are assigned to rings for scoring trial matrices
info: Shape of scoring matrix (111392, 3)
info: Assign to rings, maximum d-spacing considered: 0.949593
info: Ring assignment array shape (111392,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( 0, -1, -4) 12 1290 0 1290 N/A N/A -56.55
info: Ring 10 ( 0, -2, -2) 12 3672 0 3672 N/A N/A -53.29
info: Ring 9 ( 0, 0, -4) 2 886 0 886 N/A N/A -51.06
info: Ring 8 ( -2, 0, -1) 12 8668 0 8668 N/A N/A -48.14
info: Ring 7 ( 1, -2, -2) 12 9416 0 9416 N/A N/A -47.54
info: Ring 6 ( 0, -2, 0) 6 5522 0 5522 N/A N/A -46.32
info: Ring 5 ( 0, -1, -3) 12 14146 0 14146 N/A N/A -44.46
info: Ring 4 ( 1, -2, 0) 6 10584 0 10584 N/A N/A -39.83
info: Ring 3 ( 0, -1, -2) 12 21386 0 21386 N/A N/A -33.92
info: Ring 2 ( 0, -1, -1) 12 21494 0 21494 N/A N/A -25.92
info: Ring 1 ( 0, 0, -2) 2 3584 0 3584 N/A N/A -24.89
info: Ring 0 ( 0, -1, 0) 6 10744 0 10744 N/A N/A -22.68
info: Using only those peaks which are assigned to rings for scoring trial matrices
info: Shape of scoring matrix (111392, 3)
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -4), (0, 0, 4)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 886
info: Number of peaks in ring 2: 886
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 0
info: Time taken 0.002304 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 3584
info: Number of peaks in ring 2: 886
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 0
info: Time taken 0.009190 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -4), (0, 0, 4)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 886
info: Number of peaks in ring 2: 3584
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 0
info: Time taken 0.005449 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: Number of peaks in ring 1: 3584
info: Number of peaks in ring 2: 3584
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 0
info: Time taken 0.021963 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 5522
info: Number of peaks in ring 2: 886
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 2844
info: Time taken 0.016801 /s
info: Scoring 2844 potential orientations
info: new grain 288 pks, i 105389 j 26490 UBI -1.460898 2.479055 0.580016 -1.186985 -2.027453 -1.762031 -1.985468 -2.028630 3.671732
info: new grain 288 pks, i 105387 j 82295 UBI 1.950793 -1.751394 -1.322620 -1.714407 -1.059817 2.133711 -3.196298 -1.180139 -3.152190
info: new grain 280 pks, i 105385 j 54443 UBI 2.832795 -0.527213 -0.558275 -0.750474 2.012422 2.000314 0.043275 -3.264715 3.299486
info: new grain 288 pks, i 105377 j 26596 UBI 2.401697 -1.250940 -1.133375 -2.606507 -0.389562 -1.292736 0.730471 3.768718 -2.608787
info: new grain 306 pks, i 105375 j 26594 UBI 2.314776 -1.341844 -1.209092 0.406184 2.224337 1.869884 0.115863 -2.995857 3.543136
info: new grain 276 pks, i 105371 j 26481 UBI -2.119700 1.545910 -1.316659 1.681317 1.263378 2.049203 3.001500 1.321802 -3.282673
info: new grain 270 pks, i 105365 j 54434 UBI -1.999152 -1.358140 1.665562 0.633769 2.825866 0.479541 -3.332353 1.251950 -2.977919
info: new grain 260 pks, i 105362 j 54433 UBI -1.237451 -2.502851 0.906694 -1.277344 1.586558 -2.116510 2.398038 -2.348184 -3.207700
info: new grain 252 pks, i 105356 j 54431 UBI -2.095650 -1.633933 -1.247838 2.822586 -0.502248 -0.630228 0.250787 -3.011141 3.522984
info: new grain 303 pks, i 105355 j 82171 UBI 1.412446 1.954649 -1.674093 0.407534 -2.874715 -0.436195 -3.522338 -0.041587 -3.021667
info: new grain 256 pks, i 105354 j 26472 UBI -0.568409 -2.844876 -0.449684 -1.501708 2.047516 -1.473077 3.178526 -0.101221 -3.380299
info: new grain 278 pks, i 105349 j 82164 UBI 0.225062 -2.277220 -1.840476 -2.269143 1.849173 -0.222839 2.431259 2.626590 -2.953210
info: new grain 269 pks, i 105344 j 26574 UBI -2.880332 0.098239 -0.558921 1.055759 -1.945723 1.926762 -0.559035 3.085859 3.422732
info: new grain 287 pks, i 105342 j 82269 UBI -1.935320 -1.915868 -1.097064 2.675688 0.226262 -1.186118 1.565124 -3.252364 2.917677
info: new grain 258 pks, i 105340 j 26462 UBI -2.459388 0.536520 -1.509227 1.101696 2.051502 1.789130 2.520180 1.704239 -3.504335
info: new grain 300 pks, i 105335 j 82156 UBI 0.158601 2.866465 -0.612490 1.932821 -1.862974 -1.186983 -2.824332 -0.618951 -3.631429
info: new grain 266 pks, i 105331 j 54411 UBI 1.244487 -2.006399 1.743210 1.498425 1.105049 -2.269904 1.634100 3.382451 2.726245
info: new grain 259 pks, i 105330 j 54410 UBI -1.941514 -1.646816 -1.459614 -0.892781 1.700557 2.219799 -0.731610 3.492968 -2.969145
info: new grain 260 pks, i 105329 j 82259 UBI 0.184929 -2.676413 1.191872 -2.132521 1.835895 0.836908 -2.753672 -1.677681 -3.338339
info: new grain 284 pks, i 105328 j 54406 UBI -0.955609 -1.884500 -2.037259 2.741123 1.042534 -0.135698 1.481825 -3.553074 2.592241
info: new grain 247 pks, i 105324 j 26558 UBI 2.846577 -0.712437 -0.087499 -1.928383 -1.448144 -1.675047 0.662971 3.069134 -3.417291
info: new grain 281 pks, i 105319 j 54291 UBI 1.694728 1.467678 1.894205 -2.922320 0.100327 0.262406 0.121288 -3.718011 2.775368
info: new grain 269 pks, i 105314 j 54289 UBI -2.580375 0.346408 -1.357524 0.899372 1.982816 1.970051 2.096864 2.400167 -3.372112
info: new grain 293 pks, i 105312 j 82250 UBI -1.734962 -2.317179 0.488950 -0.465735 2.512770 1.445382 -2.843403 1.419986 -3.380854
info: new grain 276 pks, i 105308 j 54395 UBI -1.661702 -1.971620 1.404881 -0.073952 2.822485 0.804495 -3.449632 0.765909 -3.007296
info: new grain 276 pks, i 105303 j 109979 UBI -2.309921 1.620363 0.817210 -0.373008 -2.277120 -1.812764 -0.667614 -2.792217 3.645894
info: new grain 276 pks, i 105302 j 54282 UBI 0.892309 -2.410898 -1.418540 0.791893 2.653209 -0.975630 3.799257 -0.156528 2.657967
info: new grain 288 pks, i 105301 j 26547 UBI -0.529214 -2.164443 -1.910628 2.408030 1.654966 -0.285956 2.353427 -2.956996 2.694978
info: new grain 238 pks, i 105296 j 82178 UBI 2.690112 -0.462402 -1.091924 -2.182942 -1.838324 -0.668960 -1.048805 2.595355 -3.701534
info: new grain 270 pks, i 105295 j 82129 UBI -2.909856 0.284030 -0.254540 1.775381 1.242326 -1.982641 -0.152456 -3.868550 -2.559476
info: new grain 298 pks, i 105288 j 82126 UBI -2.347304 1.168561 1.322335 -0.351166 -1.784079 -2.304098 -0.206139 -3.649748 2.857729
info: new grain 278 pks, i 105281 j 26427 UBI -2.680810 -0.506961 -1.083790 1.192053 -1.884666 1.909957 -1.870246 2.381395 3.516845
info: new grain 292 pks, i 105279 j 54270 UBI 2.631745 -0.240815 1.279732 -2.321662 -1.383383 1.145338 0.928766 -3.724056 -2.611313
info: new grain 271 pks, i 105273 j 82118 UBI -1.961939 -1.476610 1.608415 -0.900943 1.722194 -2.199855 0.298045 -3.587468 -2.931137
info: new grain 271 pks, i 105271 j 26421 UBI -1.723700 -2.298136 -0.597710 -0.285174 2.487319 -1.534793 3.115742 -1.539041 -3.075805
info: new grain 265 pks, i 105270 j 109960 UBI 2.874758 0.586935 0.111852 -1.751900 1.567867 -1.759255 -0.751155 3.020842 3.441839
info: new grain 296 pks, i 105264 j 109956 UBI 1.740017 2.222901 0.808247 -2.153684 0.452772 -1.943900 -2.912776 1.019403 3.464077
info: new grain 295 pks, i 105262 j 82222 UBI 0.315470 2.720558 1.062290 1.917410 -2.096073 0.738513 2.636268 1.121271 -3.650789
info: new grain 270 pks, i 105261 j 54258 UBI 2.120134 -1.417827 -1.454824 -1.847285 -1.492082 1.725716 -2.872509 -0.604153 -3.595076
info: new grain 276 pks, i 105260 j 26413 UBI 1.878616 1.784447 1.379566 -0.480875 -2.706697 1.030648 3.468773 -1.615813 -2.627616
info: new grain 294 pks, i 105258 j 54256 UBI -1.677047 -2.163043 -1.064911 2.562994 0.637757 -1.280946 2.144644 -3.033179 2.781703
info: new grain 281 pks, i 105251 j 109949 UBI 2.392996 0.185601 1.690807 -0.628840 2.153520 -1.890892 -2.483833 2.150633 3.278868
info: new grain 280 pks, i 105247 j 54363 UBI -1.645784 2.010434 -1.365845 -0.517942 -2.860158 -0.428200 -2.959144 0.003802 3.571642
info: new grain 261 pks, i 105242 j 54360 UBI -1.807788 -1.919377 -1.289066 -1.068330 2.002340 1.864015 -0.620484 2.951967 -3.527724
info: new grain 311 pks, i 105240 j 82099 UBI 2.548545 -1.456236 -0.010883 -2.019008 -0.587981 2.048410 -1.860771 -3.236811 -2.759638
info: new grain 317 pks, i 105234 j 26401 UBI -2.565586 -0.525899 -1.323833 2.369885 -1.585224 -0.706489 -1.074023 -3.076636 3.303615
info: new grain 262 pks, i 105230 j 26512 UBI 0.490909 2.519359 -1.424833 1.858875 -2.250214 -0.312941 -2.484660 -1.552636 -3.600072
info: new grain 280 pks, i 105228 j 26511 UBI -1.843755 1.963922 -1.167186 2.216497 0.898065 1.702579 2.731573 0.341572 -3.737279
info: new grain 272 pks, i 105226 j 54243 UBI -2.335964 -0.363811 1.740435 0.499552 -1.880611 -2.197517 2.533082 -2.652131 2.844931
info: new grain 288 pks, i 105224 j 54354 UBI -2.432334 0.903468 1.374478 -0.129118 -2.243061 -1.888450 0.852767 -2.966233 3.465840
info: new grain 257 pks, i 105222 j 54241 UBI -2.452029 0.214526 -1.602208 2.368060 1.577966 -0.720706 1.475453 -3.456817 -2.722036
info: new grain 287 pks, i 105208 j 109929 UBI -0.721903 2.807472 0.467373 1.947048 -1.326203 1.751538 3.443237 1.354106 -2.801808
info: new grain 296 pks, i 105201 j 110040 UBI -0.856134 2.749889 -0.567452 2.223646 -1.186570 -1.507480 -2.993641 -1.582967 -3.172137
info: new grain 265 pks, i 105189 j 26385 UBI 0.650970 2.645626 -1.095306 -2.507401 -1.326962 -0.757362 -2.148327 2.013332 3.586706
info: new grain 300 pks, i 105184 j 110035 UBI 1.258700 -2.565836 -0.673041 1.366389 1.879250 1.793272 -2.074204 -1.979526 3.650551
info: new grain 279 pks, i 105158 j 110027 UBI 0.337108 -2.570768 -1.375723 1.784945 2.245396 -0.626713 2.923761 -1.395326 3.323530
info: new grain 248 pks, i 105154 j 110025 UBI -0.315869 2.918906 -0.006855 1.917124 -1.273294 -1.822311 -3.311840 -0.363923 -3.230719
info: new grain 281 pks, i 105137 j 82283 UBI -2.705890 -0.408823 -1.061755 0.497886 2.113738 1.977024 0.892989 2.997253 -3.428208
info: new grain 250 pks, i 105129 j 82279 UBI 0.572217 2.198199 -1.860438 -2.183196 0.253892 1.946889 2.954225 1.831205 3.074569
info: new grain 276 pks, i 105126 j 54315 UBI -2.109376 1.772215 1.012752 2.656242 0.016239 1.251606 1.369341 3.314192 -2.945311
info: new grain 300 pks, i 105125 j 54425 UBI -2.345915 -0.136605 -1.758100 0.311856 -1.936037 2.185298 -2.304863 2.845284 2.852609
info: new grain 276 pks, i 105124 j 110120 UBI -1.321369 -1.965161 1.736032 1.859330 -0.900353 -2.085165 3.519530 0.290923 3.010493
info: new grain 278 pks, i 105118 j 110118 UBI 2.546125 -1.235723 0.776625 -0.019766 2.291437 -1.835105 0.305713 2.896897 3.613482
info: new grain 288 pks, i 105111 j 26575 UBI -2.874212 -0.373984 0.466257 1.463970 -1.878426 -1.715370 0.943750 -2.639331 3.698990
info: new grain 263 pks, i 105107 j 54305 UBI 1.056068 2.664475 -0.638293 -1.722029 -0.372311 2.347096 3.740008 -0.859194 2.609468
info: new grain 272 pks, i 105103 j 54413 UBI -2.885594 0.154043 0.519704 1.854286 1.719813 1.490654 -0.410978 3.275855 -3.262539
info: new grain 274 pks, i 105100 j 82153 UBI 0.841153 -2.413133 1.446075 1.199284 2.597096 0.656456 -3.320920 0.734862 3.157022
info: new grain 256 pks, i 105096 j 82260 UBI 0.787245 2.085785 -1.910325 1.858161 -0.829219 2.116527 1.759994 -3.243014 -2.814712
info: new grain 261 pks, i 105093 j 54407 UBI -2.571143 -1.195250 0.753898 0.151369 1.835619 -2.287800 0.840770 -3.587729 -2.821201
info: new grain 272 pks, i 105090 j 54405 UBI -2.283813 -1.034527 -1.528885 1.222884 -1.640693 2.103767 -2.913345 1.825365 3.118427
info: new grain 305 pks, i 105089 j 54293 UBI 2.008868 -1.926465 0.937915 -0.366369 2.544347 1.413066 -3.179953 -1.981817 2.741877
info: new grain 244 pks, i 105077 j 54397 UBI 2.914928 -0.352620 -0.010857 -1.674784 -1.569987 -1.829114 0.391243 3.325399 -3.213025
info: new grain 269 pks, i 105076 j 82247 UBI 1.854865 1.795377 -1.397346 0.911609 -1.520711 2.339768 1.290224 -3.491398 -2.773382
info: new grain 267 pks, i 105067 j 110086 UBI 2.499253 0.280794 1.512307 -0.453292 1.624441 -2.403790 -1.948444 3.311353 2.605033
info: new grain 263 pks, i 105066 j 109974 UBI -1.395951 2.140266 1.442563 2.648346 -0.892304 0.902522 2.000573 3.161893 -2.745416
info: new grain 294 pks, i 105061 j 110084 UBI -2.714355 1.101236 -0.187366 1.969143 1.241143 1.790839 1.370282 2.790740 -3.446102
info: new grain 260 pks, i 105038 j 54269 UBI -2.229605 1.854777 0.455059 2.419697 0.180886 1.651675 1.854090 2.974925 -3.042434
info: new grain 284 pks, i 105037 j 82120 UBI 2.553908 1.218082 0.783906 -0.052880 -2.114303 -2.035353 -0.512211 3.207877 -3.314878
info: new grain 256 pks, i 105034 j 26534 UBI -0.013864 2.659244 -1.243563 1.680414 -0.511817 2.352306 3.493832 -1.279303 -2.773949
info: new grain 264 pks, i 105027 j 82115 UBI -1.120336 2.622027 0.696158 2.310036 -1.049508 1.478990 2.865220 2.029039 -3.034540
info: new grain 277 pks, i 105026 j 26418 UBI 0.643296 -2.728945 0.870842 -2.190027 1.472230 1.285946 -2.977377 -1.699871 -3.126145
info: new grain 256 pks, i 105025 j 26528 UBI -2.782447 0.935000 -0.069374 2.030532 1.305743 -1.670959 -0.916642 -2.980133 -3.438302
info: new grain 273 pks, i 105016 j 82218 UBI 1.005238 1.996324 -1.903035 -2.715866 -1.073488 -0.297320 -1.639500 3.399118 2.701048
info: new grain 264 pks, i 105014 j 82217 UBI -2.925306 -0.192823 -0.147117 1.672034 -1.829554 -1.572953 0.020810 -3.014588 3.529045
info: new grain 258 pks, i 105010 j 26519 UBI 2.161104 -0.572566 -1.902740 -0.504455 -1.827684 2.241574 -2.959723 -2.415774 -2.634557
info: new grain 262 pks, i 104982 j 82092 UBI -2.352931 -1.650611 -0.599822 2.424875 -0.248685 -1.637521 1.587791 -3.298263 2.851263
info: new grain 290 pks, i 104981 j 54239 UBI 0.380746 -2.889891 -0.361097 -2.072531 1.408614 -1.527473 3.059577 0.830398 -3.387679
info: new grain 280 pks, i 104979 j 26394 UBI -0.897851 2.074005 -1.874272 2.684043 -1.159134 -0.268868 -1.699043 -3.275231 -2.813948
info: new grain 285 pks, i 104978 j 82089 UBI 1.266691 -2.356020 1.211182 -2.803054 0.631941 0.602354 -1.356880 -2.584339 -3.606598
info: new grain 260 pks, i 104976 j 54235 UBI 2.271966 -0.231094 1.844502 -2.426744 -1.585856 0.457932 1.752015 -3.428373 -2.590584
info: new grain 290 pks, i 104965 j 109927 UBI -1.884941 -2.231156 0.315520 2.150636 -0.166024 -1.990416 2.793693 -1.908314 3.174892
info: new grain 272 pks, i 104962 j 54230 UBI -0.904672 -2.630826 0.937462 2.630716 1.020128 0.808353 -1.915985 1.988644 3.730608
info: new grain 299 pks, i 104952 j 82078 UBI 1.465294 2.504878 -0.447766 0.479073 -2.313718 -1.742682 -3.358728 1.453105 -2.854249
info: new grain 280 pks, i 104949 j 82077 UBI -2.520719 0.385259 -1.456616 2.323384 1.684830 -0.616392 1.376912 -3.069526 -3.195225
info: new grain 291 pks, i 104922 j 110023 UBI -1.753773 -2.330612 0.327747 2.512357 0.168265 1.508714 -2.220171 2.158411 3.457177
info: new grain 257 pks, i 104919 j 26590 UBI -0.965792 2.759586 -0.274148 1.913712 -1.086340 -1.944347 -3.520779 -1.494821 -2.628094
info: new grain 268 pks, i 104898 j 82280 UBI 1.494745 -1.656104 -1.910392 0.217312 2.924426 -0.108941 3.585770 -0.157421 2.942476
info: new grain 276 pks, i 104888 j 26466 UBI 1.655259 -2.424494 -0.107799 -2.383244 0.074229 1.710280 -2.572414 -1.598991 -3.515708
info: new grain 290 pks, i 104880 j 110110 UBI -2.370615 1.354960 1.076381 2.679288 0.795342 0.900880 0.226073 3.121481 -3.425799
info: new grain 232 pks, i 104857 j 54290 UBI 1.584686 2.471410 0.018775 0.602896 -2.115427 -1.944234 -2.962573 1.922403 -3.010539
info: Number of orientations with more than 160 peaks is 100
info: Time taken 0.185/s
info: UBI for best fitting
[[-2.56558613 -0.52589935 -1.32383291]
[ 2.3698849 -1.5852236 -0.70648914]
[-1.07402286 -3.07663585 3.30361479]]
info: Unit cell: (2.934507778504134, 2.9374164148520405, 4.640375405132261, 90.00892286643209, 89.99972660693469, 120.00972143803666)
info: Indexes 316 peaks, with <drlv2>=0.007653
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 84449
info: Tried r1=6 r2=9 attempt 1 of 144, got 100 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -4), (0, 0, 4)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 96
info: Number of peaks in ring 2: 3942
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 96
info: Time taken 0.000808 /s
info: Scoring 96 potential orientations
info: new grain 272 pks, i 110087 j 21298 UBI 2.617740 -1.289433 -0.323255 -2.341385 -1.049805 -1.428664 0.935291 2.794603 -3.583712
info: new grain 280 pks, i 110058 j 76685 UBI 2.298624 -1.038044 -1.502687 -1.159482 -1.581119 2.184000 -2.886202 -2.038742 -3.008130
info: new grain 262 pks, i 110057 j 48388 UBI -2.898777 0.391874 0.237812 1.313157 -2.169036 1.480335 0.680601 2.860696 3.589851
info: new grain 292 pks, i 110044 j 104736 UBI 2.666158 0.707078 -1.004429 -2.353956 1.504354 -0.901903 0.542734 2.964247 3.528656
info: new grain 273 pks, i 110042 j 48799 UBI -0.423199 -2.755136 -0.923177 1.598930 0.512324 2.407072 -3.830684 -0.283822 2.605960
info: new grain 242 pks, i 110032 j 76627 UBI -2.798342 -0.886467 0.000938 1.887289 -1.098156 1.961660 -1.080813 3.414484 2.952096
info: new grain 272 pks, i 110031 j 76394 UBI -2.710811 0.088652 1.121759 1.759645 -2.273912 0.590968 1.620374 2.225096 3.739041
info: new grain 266 pks, i 109968 j 49119 UBI 2.242413 -1.237293 1.434123 0.506777 2.105717 -1.981013 -0.356016 3.217839 3.327479
info: new grain 288 pks, i 109924 j 21175 UBI -2.906026 0.406353 0.088246 1.219449 -2.204841 1.507704 0.501783 2.786500 3.674939
info: new grain 262 pks, i 82139 j 104853 UBI -2.719833 1.066015 -0.299321 1.756724 1.031232 2.113714 1.593508 3.245208 -2.909261
info: new grain 271 pks, i 82125 j 104581 UBI 1.230728 2.158493 -1.561925 -2.021993 0.628614 2.034435 3.340517 0.408732 3.195775
info: new grain 270 pks, i 82098 j 48764 UBI -2.921605 -0.082480 -0.263841 1.267680 2.090670 1.627136 0.257465 2.742161 -3.735046
info: Number of orientations with more than 160 peaks is 112
info: Time taken 0.026/s
info: UBI for best fitting
[[-2.56558613 -0.52589935 -1.32383291]
[ 2.3698849 -1.5852236 -0.70648914]
[-1.07402286 -3.07663585 3.30361479]]
info: Unit cell: (2.934507778504134, 2.9374164148520405, 4.640375405132261, 90.00892286643209, 89.99972660693469, 120.00972143803666)
info: Indexes 316 peaks, with <drlv2>=0.007653
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 81300
info: Tried r1=9 r2=6 attempt 2 of 144, got 112 grains
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(0, 0, -4), (0, 0, 4)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 7830
info: Number of peaks in ring 2: 8
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 72
info: Time taken 0.009865 /s
info: Scoring 72 potential orientations
info: new grain 268 pks, i 100264 j 26431 UBI -1.713695 2.382107 0.066812 -0.591928 -2.285351 1.748664 2.680281 1.840976 3.309420
info: Number of orientations with more than 160 peaks is 113
info: Time taken 0.002/s
info: UBI for best fitting
[[-2.56558613 -0.52589935 -1.32383291]
[ 2.3698849 -1.5852236 -0.70648914]
[-1.07402286 -3.07663585 3.30361479]]
info: Unit cell: (2.934507778504134, 2.9374164148520405, 4.640375405132261, 90.00892286643209, 89.99972660693469, 120.00972143803666)
info: Indexes 316 peaks, with <drlv2>=0.007653
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 81074
info: Tried r1=4 r2=9 attempt 3 of 144, got 113 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 2680
info: Number of peaks in ring 2: 3770
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 2339
info: Time taken 0.020813 /s
info: Scoring 2339 potential orientations
info: new grain 256 pks, i 87117 j 20699 UBI 2.646205 -0.368591 -1.216734 -2.419828 -0.678658 -1.516089 -0.166405 4.327391 -1.671858
info: new grain 289 pks, i 87115 j 48540 UBI 1.471560 2.030038 1.526279 -2.374311 -1.278071 1.163588 2.681842 -3.318662 1.826627
info: new grain 288 pks, i 87111 j 76390 UBI -0.933541 1.084161 -2.563448 0.772739 -2.824243 0.203606 -4.364628 -1.111483 1.117451
info: new grain 272 pks, i 87104 j 21161 UBI -0.957695 1.578284 2.281189 -1.394839 0.151251 -2.579198 -2.745374 -3.518251 1.280273
info: new grain 284 pks, i 87102 j 20923 UBI 2.191707 -1.046407 1.648613 -2.669719 0.360213 1.165226 -1.132908 -4.326494 -1.247984
info: new grain 282 pks, i 87099 j 105167 UBI 0.570197 1.726099 -2.305665 -0.079582 -2.915189 -0.333905 -4.536208 0.232827 -0.950101
info: new grain 270 pks, i 87097 j 77093 UBI -1.607568 -0.042577 2.456298 -0.970410 1.444254 -2.363967 -2.142830 -3.845599 -1.469777
info: new grain 264 pks, i 87096 j 76381 UBI 0.225651 -1.519438 -2.502630 0.729514 2.842214 0.062094 4.364811 -1.143110 1.086858
info: new grain 260 pks, i 87095 j 105383 UBI -1.523034 0.008923 -2.509602 2.784121 -0.932594 0.024857 -1.454991 -4.320401 0.867396
info: new grain 249 pks, i 87094 j 21157 UBI -1.010896 0.828713 -2.627767 -1.315286 0.953839 2.446664 2.818224 3.686056 0.078058
info: new grain 262 pks, i 87092 j 76852 UBI -0.729423 1.662740 2.305844 -0.404387 1.011580 -2.727339 -4.270926 -1.814438 -0.041717
info: new grain 271 pks, i 87091 j 49236 UBI 1.873180 1.399071 -1.775218 0.792663 -0.652011 2.749892 1.674037 -4.079568 -1.451445
info: new grain 287 pks, i 87089 j 77318 UBI 2.286165 -0.225134 1.823402 0.443572 0.115221 -2.899354 0.275062 4.628964 0.227803
info: new grain 264 pks, i 87082 j 76375 UBI 1.943531 0.184751 2.193695 -2.680983 -1.086517 0.501560 1.537662 -4.260503 -1.004767
info: new grain 258 pks, i 87081 j 48994 UBI 0.443558 -2.896335 -0.183514 -2.435276 1.186631 -1.129991 2.170383 0.588944 -4.059973
info: new grain 266 pks, i 87079 j 21388 UBI 2.192319 -0.718816 1.817190 -2.715110 0.371502 1.051212 -0.891971 -4.498605 -0.706086
info: new grain 280 pks, i 87077 j 105157 UBI 1.570603 -1.552922 1.934686 0.232641 -0.566122 -2.871077 3.455264 3.081432 -0.326844
info: new grain 335 pks, i 87076 j 76606 UBI 1.127734 -1.023710 2.508950 -0.839046 2.808105 -0.195741 -4.253823 -1.170532 1.435528
info: new grain 287 pks, i 87075 j 49227 UBI 1.110631 -0.860498 -2.576166 0.974685 -1.205562 2.492253 -3.266304 -3.282856 -0.319092
info: new grain 252 pks, i 87069 j 49677 UBI 0.731756 -2.366659 -1.575157 -1.494828 -0.311049 2.507380 -3.994466 0.322597 -2.340575
info: new grain 271 pks, i 87065 j 49452 UBI 0.355168 2.522825 -1.457589 -0.850629 -2.415806 -1.435196 -4.438983 1.088575 0.801265
info: new grain 274 pks, i 87064 j 48513 UBI -1.900144 -0.731405 -2.113111 2.647162 1.050945 -0.708863 1.704438 -4.316786 -0.038203
info: new grain 279 pks, i 87062 j 76837 UBI -1.680329 -1.731039 -1.668967 -0.386506 0.058644 2.910365 -3.076492 3.443569 -0.477264
info: new grain 240 pks, i 87061 j 21140 UBI -0.486319 -1.850793 2.226112 0.689727 2.801029 0.544076 -4.503806 1.119212 -0.053319
info: new grain 263 pks, i 87060 j 49450 UBI 1.602535 1.242322 -2.123482 1.186210 -0.482668 2.641511 1.401088 -4.197998 -1.395720
info: new grain 289 pks, i 87059 j 76595 UBI -1.317927 -1.762759 -1.942731 -1.327720 0.641361 2.538503 -2.009657 3.685989 -1.980341
info: new grain 300 pks, i 87058 j 21830 UBI -1.642310 0.490226 2.385453 -1.201749 0.177058 -2.673343 -1.074376 -4.508893 0.185346
info: new grain 272 pks, i 87056 j 104676 UBI -1.114603 2.329916 -1.396772 1.166521 0.312426 2.675896 4.146346 0.841409 -1.905591
info: new grain 281 pks, i 87055 j 21606 UBI -0.189826 2.158132 -1.978169 1.166226 0.528161 2.642595 4.199271 -1.124488 -1.629647
info: new grain 282 pks, i 87054 j 21136 UBI 0.914605 -1.990700 1.955992 -2.527335 1.429307 0.431439 -2.270469 -3.319570 -2.315848
info: new grain 295 pks, i 87049 j 49668 UBI 1.719390 1.511157 1.841183 -1.245252 -2.510332 0.877142 3.697543 -2.363253 -1.509595
info: new grain 268 pks, i 87048 j 49667 UBI 1.521117 -0.452254 -2.469939 1.259207 -0.481276 2.607814 -1.471152 -4.400197 -0.102053
info: new grain 272 pks, i 87046 j 48973 UBI -0.237826 -2.230457 -1.892081 0.817969 2.652374 -0.955136 4.448107 -1.101234 0.742012
info: new grain 282 pks, i 87045 j 21368 UBI 2.056207 -1.891031 -0.903839 -1.217040 -0.312985 2.652171 -3.294463 -2.706012 -1.836397
info: new grain 264 pks, i 87044 j 20661 UBI -1.755070 1.745864 1.578966 0.206216 0.365176 -2.905811 -3.512152 -2.968475 -0.623367
info: new grain 252 pks, i 87037 j 76819 UBI 0.836438 2.328700 -1.579768 -2.225081 -1.678001 -0.923490 -2.985956 2.665579 2.348543
info: new grain 272 pks, i 87035 j 49204 UBI 1.369686 0.940557 -2.420925 1.295740 0.275122 2.619953 1.944846 -4.179338 -0.525606
info: new grain 292 pks, i 87034 j 49661 UBI -2.629267 1.143414 0.636186 0.331612 -1.683635 -2.381024 -1.028498 -3.760201 2.517301
info: new grain 256 pks, i 87028 j 77286 UBI 1.438915 0.447844 2.520213 -2.650692 -1.262305 0.026890 1.986069 -4.176015 -0.391712
info: new grain 263 pks, i 87022 j 77510 UBI -2.103678 0.007453 2.047207 2.561400 1.338902 0.520920 -1.700395 3.940344 -1.765418
info: new grain 296 pks, i 87020 j 76348 UBI 0.939243 -1.221895 2.496918 -2.268073 1.862818 0.040871 -2.928065 -3.547026 -0.637524
info: new grain 279 pks, i 87017 j 48955 UBI 1.883219 1.595973 -1.589682 -2.581791 -0.792239 -1.147033 -1.920256 3.895949 1.634503
info: new grain 291 pks, i 87012 j 48492 UBI -1.309358 -2.108391 1.565025 -1.016343 0.697601 -2.665905 2.817046 -3.161912 -1.899371
info: new grain 248 pks, i 87011 j 21809 UBI 2.332811 0.942179 1.512702 0.330650 -0.982801 -2.746581 -0.684661 4.294996 -1.619307
info: new grain 263 pks, i 87009 j 21807 UBI 1.873279 -0.098329 2.258505 -2.772102 -0.899036 0.352626 1.242527 -4.303196 -1.216712
info: new grain 268 pks, i 87002 j 20863 UBI 1.138798 -0.758443 -2.596060 -1.752717 2.345747 0.204695 3.695376 2.684684 0.833895
info: new grain 267 pks, i 86999 j 77499 UBI 1.593911 0.633739 2.381109 -1.540955 -2.497741 -0.113536 3.653882 -2.166695 -1.867512
info: new grain 310 pks, i 86994 j 20638 UBI -1.361022 -1.494011 -2.129520 1.984757 2.055852 -0.681954 3.353676 -3.204508 0.103472
info: new grain 280 pks, i 86987 j 49183 UBI 2.906621 0.252245 -0.336539 -1.400147 -2.351847 -1.056331 -0.656428 2.201737 -4.032492
info: new grain 260 pks, i 86982 j 76793 UBI 0.473561 -1.788230 2.276757 -0.347612 2.882024 0.444088 -4.577078 -0.621809 0.463737
info: new grain 278 pks, i 86981 j 21335 UBI -0.442302 -1.438197 -2.520566 -1.388675 -0.856351 2.441173 -3.524160 2.847706 -1.002444
info: new grain 276 pks, i 86976 j 48692 UBI -1.585792 -2.457549 -0.261084 -1.109857 2.320064 1.415784 -1.785863 1.576658 -3.982623
info: new grain 245 pks, i 86975 j 105094 UBI 2.010126 0.714867 -2.017639 -2.496143 -1.314315 -0.814619 -2.009033 4.150164 -0.533049
info: new grain 244 pks, i 86970 j 76324 UBI 0.926158 -1.607573 2.274729 1.828647 0.594152 -2.217277 1.372832 3.865038 2.173555
info: new grain 258 pks, i 86969 j 20845 UBI -1.050546 -1.700516 2.151939 -0.456066 2.899376 0.065098 -3.947968 -0.567597 -2.370004
info: new grain 284 pks, i 86965 j 20626 UBI 2.209949 -1.912251 0.279275 -2.666359 -0.681627 1.018639 -1.092444 -1.865215 -4.107868
info: new grain 277 pks, i 86963 j 20624 UBI 1.749242 -1.674384 1.660593 -2.723166 0.625173 0.902964 -1.584795 -3.790539 -2.155320
info: new grain 290 pks, i 86961 j 21082 UBI 1.648212 -0.096263 2.427471 -2.701142 -1.151178 0.012148 1.738470 -4.088470 -1.341545
info: new grain 284 pks, i 86960 j 21081 UBI 2.745727 0.593036 -0.854456 -1.795440 -1.505657 -1.768639 -1.454033 3.974518 -1.906276
info: new grain 274 pks, i 86957 j 20839 UBI 1.408314 1.856948 1.785521 -0.257719 0.621447 -2.858489 -3.987618 2.217278 0.843376
info: new grain 292 pks, i 86954 j 76315 UBI -2.097174 1.100797 1.734743 2.510106 -0.976289 1.168039 1.855094 4.232687 -0.443905
info: new grain 256 pks, i 86953 j 48679 UBI -1.376388 -2.534919 0.552281 -0.225690 2.235358 1.889908 -3.744324 1.538903 -2.266487
info: new grain 263 pks, i 86950 j 77473 UBI 0.032926 2.103455 -2.048507 0.208867 -2.820471 -0.787456 -4.622957 -0.248981 -0.331547
info: new grain 302 pks, i 86949 j 48678 UBI -1.551604 1.139871 -2.218249 2.156165 -1.915794 -0.547588 -3.029530 -3.499838 0.323400
info: new grain 280 pks, i 86947 j 49384 UBI 0.704000 -1.247619 -2.562887 1.715883 -0.400839 2.348518 -2.461030 -3.760246 1.154365
info: new grain 260 pks, i 86943 j 20612 UBI -1.857415 -0.533528 2.209010 2.896389 -0.020198 0.479663 -0.130624 4.533379 0.986293
info: new grain 287 pks, i 86940 j 21772 UBI -2.403962 -1.555496 -0.643635 0.268380 2.758107 -0.971126 2.040919 -1.560281 -3.866008
info: new grain 267 pks, i 86938 j 77006 UBI -2.288438 -1.774900 -0.473051 2.660963 -0.739343 -0.997653 0.886584 -2.202805 3.987041
info: new grain 279 pks, i 86934 j 77465 UBI -0.018368 -2.160963 1.986260 1.855094 -0.110957 -2.273626 3.190126 2.261767 2.498434
info: new grain 281 pks, i 86933 j 76763 UBI -0.376224 2.645978 1.216154 -0.802133 -0.463303 -2.785676 -4.231235 -1.258127 1.429493
info: new grain 270 pks, i 86930 j 20827 UBI -2.154609 1.766274 -0.923009 2.367155 -0.428987 -1.682308 -2.094482 -3.612839 -2.025312
info: new grain 274 pks, i 86926 j 76758 UBI 0.847784 -0.802903 2.692084 1.323365 -1.145312 -2.357116 3.093593 3.460490 0.058141
info: new grain 266 pks, i 86923 j 104140 UBI -0.547025 1.777853 2.271160 -1.106042 0.619008 -2.648488 -3.800308 -2.461791 1.014051
info: new grain 264 pks, i 86916 j 21759 UBI 1.066970 1.365754 2.368925 1.611107 -0.165461 -2.449219 -1.837211 3.997005 -1.477872
info: new grain 312 pks, i 86914 j 49136 UBI 2.551123 -0.480003 -1.370276 -2.362352 0.815716 -1.541010 1.153030 4.455190 0.592036
info: new grain 283 pks, i 86913 j 48896 UBI -1.014236 -1.276354 -2.440823 0.702388 2.851049 -0.017334 4.340696 -1.076207 -1.240333
info: new grain 256 pks, i 86911 j 77222 UBI 1.081463 1.643233 2.179339 -0.415776 1.176098 -2.657226 -4.307850 1.224351 1.217038
info: new grain 252 pks, i 86907 j 76986 UBI 0.837326 1.930554 2.046400 -0.941451 0.947704 -2.614362 -4.344573 0.161814 1.624447
info: new grain 289 pks, i 86906 j 20595 UBI -2.069625 -0.512697 2.017442 -0.010849 -1.495541 -2.527115 2.677960 -3.264701 1.922099
info: new grain 250 pks, i 86905 j 49132 UBI 1.338735 -1.551893 -2.100572 0.211410 -0.839074 2.805844 -3.805587 -2.610433 -0.494847
info: new grain 323 pks, i 86903 j 76510 UBI -0.235921 1.527474 2.495115 0.307709 1.405977 -2.559684 -4.613284 0.102893 -0.499286
info: new grain 231 pks, i 86900 j 48436 UBI -2.130430 -1.993039 0.327827 1.731581 -0.079651 -2.369419 2.951433 -2.785112 2.250913
info: new grain 268 pks, i 86898 j 20592 UBI 0.677720 -1.519405 2.417019 -0.608306 2.865765 0.191505 -4.489689 -0.997455 0.627277
info: new grain 286 pks, i 86896 j 76982 UBI 1.648592 1.633665 1.797871 -2.187583 -1.627483 1.088332 2.925276 -3.559044 0.554242
info: new grain 279 pks, i 86893 j 48651 UBI 2.225707 1.787053 0.678986 0.108191 -1.619825 -2.447890 -2.039016 3.438648 -2.361707
info: new grain 271 pks, i 86892 j 20807 UBI -0.577458 2.245415 1.800349 0.094957 0.432113 -2.902047 -4.536907 -0.939033 -0.289500
info: new grain 260 pks, i 86891 j 21514 UBI -0.415372 1.668600 2.380510 2.333970 -1.771145 -0.160601 2.455273 3.415506 -1.963842
info: new grain 266 pks, i 86890 j 48431 UBI 2.055476 -1.210948 1.710244 0.772148 1.358785 -2.485602 0.425462 3.997821 2.317906
info: new grain 287 pks, i 86888 j 76740 UBI 1.544887 2.311703 0.936390 -2.301837 -0.952273 1.554384 2.790948 -2.831442 2.394942
info: new grain 293 pks, i 86882 j 49589 UBI -2.029225 -1.530819 1.466002 -0.546326 0.916816 -2.734716 1.768867 -3.953056 -1.674104
info: new grain 269 pks, i 86877 j 104336 UBI -0.757669 -1.998843 -2.010750 0.217861 -0.767365 2.826499 -4.475245 1.058898 0.631883
info: new grain 278 pks, i 86876 j 76492 UBI -1.822775 0.673749 -2.198993 2.451977 -1.521029 -0.540259 -2.307782 -3.967181 0.696060
info: new grain 321 pks, i 86874 j 49345 UBI 1.092807 1.634437 2.179071 -0.421890 -2.878318 0.393847 4.303742 -0.837126 -1.525488
info: new grain 296 pks, i 86865 j 21271 UBI 2.608449 -1.344089 -0.034411 -2.390244 -1.407678 -0.966037 0.777966 1.619344 -4.278683
info: new grain 272 pks, i 86864 j 77193 UBI 1.970717 -1.637617 1.434955 -0.764413 -0.692896 -2.748281 3.416440 2.685436 -1.628124
info: new grain 266 pks, i 86859 j 76724 UBI 0.329656 -2.239752 1.869377 -1.271958 2.484808 0.901999 -4.143389 -1.662316 -1.264640
info: new grain 252 pks, i 86858 j 105275 UBI -1.296911 -2.587203 0.495250 1.911861 1.080365 1.948897 -3.466129 2.158182 2.203173
info: new grain 291 pks, i 86857 j 21495 UBI 1.986287 -1.268874 1.750026 0.799683 1.013054 -2.638766 0.982497 4.126314 1.879685
info: new grain 256 pks, i 86847 j 104558 UBI 1.976803 -0.539924 -2.102292 0.418144 -1.044889 2.711120 -2.276016 -3.879466 -1.144388
info: new grain 274 pks, i 86846 j 49332 UBI -0.826783 -2.099079 -1.876634 -0.756741 -0.181268 2.830423 -3.907183 2.341639 -0.894631
info: Number of orientations with more than 160 peaks is 213
info: Time taken 0.186/s
info: UBI for best fitting
[[ 1.12773446 -1.02371029 2.50895036]
[-0.83904579 2.80810482 -0.19574142]
[-4.25382344 -1.17053159 1.43552831]]
info: Unit cell: (2.935063826060133, 2.9373057705299495, 4.639601227462612, 89.99501835177189, 89.98833998738192, 120.0109144745388)
info: Indexes 339 peaks, with <drlv2>=0.006736
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 55505
info: Tried r1=1 r2=6 attempt 4 of 144, got 213 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 2477
info: Number of peaks in ring 2: 1868
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 2317
info: Time taken 0.011561 /s
info: Scoring 2317 potential orientations
info: new grain 284 pks, i 105395 j 3576 UBI -1.158979 1.996976 -1.813292 1.537032 0.864073 2.349121 3.887826 -0.037097 -2.532097
info: new grain 252 pks, i 105391 j 59265 UBI 2.891869 -0.219986 0.452174 -1.012827 1.490745 -2.316715 -0.102773 3.883071 2.541380
info: new grain 272 pks, i 105390 j 30962 UBI 1.409024 0.206797 -2.567219 -2.342255 -1.750667 0.251843 -2.764951 3.521937 -1.232664
info: new grain 281 pks, i 105386 j 87100 UBI 2.385311 -0.879545 1.467809 -1.689070 2.142385 1.089095 -2.548506 -3.157400 2.249293
info: new grain 282 pks, i 105366 j 59209 UBI 1.179709 -0.095731 -2.686416 1.728396 -0.146636 2.367341 -0.383306 -4.626521 -0.004398
info: new grain 281 pks, i 105359 j 3057 UBI 0.352702 -2.521035 -1.462458 0.450688 0.091036 2.899498 -4.463601 -1.044681 0.728104
info: new grain 273 pks, i 105358 j 3056 UBI 1.536884 -2.384902 0.756861 1.283782 2.147399 -1.534613 1.268721 2.069474 3.955520
info: new grain 301 pks, i 105343 j 86635 UBI 2.013832 0.181513 2.128871 0.841512 -0.232983 -2.804123 -0.006861 4.624398 -0.384916
info: new grain 258 pks, i 105339 j 31301 UBI -0.803048 1.876594 2.110352 -0.314987 -2.890763 0.407890 4.266977 -0.210942 1.810640
info: new grain 272 pks, i 105338 j 31299 UBI 1.494078 1.420708 2.088988 -0.397285 -2.903277 0.195332 3.944065 -0.697495 -2.343651
info: new grain 294 pks, i 105334 j 58701 UBI -0.007740 2.346720 -1.763193 0.917996 -2.597126 -1.016621 -4.329851 -1.011886 -1.328057
info: new grain 279 pks, i 105332 j 3450 UBI -2.292212 -1.693207 -0.702803 -0.005251 1.503861 2.521926 -2.002130 3.594805 -2.145634
info: new grain 248 pks, i 105309 j 31243 UBI -1.626123 2.444036 -0.024625 2.529594 -0.094881 -1.486883 -2.261104 -1.542307 -3.748126
info: new grain 256 pks, i 105276 j 86412 UBI -2.130830 1.709286 -1.076485 0.933976 0.378695 2.757454 3.184827 3.028029 -1.493753
info: new grain 262 pks, i 105274 j 2869 UBI -1.159007 -1.088177 2.468613 1.302807 2.629854 0.025673 -4.054171 2.017674 -1.015084
info: new grain 268 pks, i 105272 j 30709 UBI 0.421109 -2.619149 1.259129 1.164945 2.411781 1.202519 -3.844183 0.597904 2.529219
info: new grain 272 pks, i 105269 j 3304 UBI -1.867103 0.497791 -2.210918 2.823811 -0.573581 -0.564123 -0.963688 -4.533254 -0.206885
info: new grain 256 pks, i 105268 j 86840 UBI 1.164313 1.844009 -1.964402 -0.560310 -2.783608 -0.750097 -4.261073 1.227092 -1.369392
info: new grain 276 pks, i 105267 j 3300 UBI -2.711249 -0.501494 1.007414 0.832871 -1.106732 -2.588955 1.502012 -3.842325 2.125318
info: new grain 287 pks, i 105257 j 31128 UBI 0.368044 2.286515 -1.803480 -1.613371 -2.299550 -0.856055 -3.792258 2.001273 1.770350
info: new grain 256 pks, i 105254 j 3278 UBI -2.011849 -0.425727 -2.093280 -0.174742 -1.483335 2.529043 -2.598491 3.393044 1.808342
info: new grain 280 pks, i 105253 j 2829 UBI -1.730899 2.253041 -0.743703 -0.527137 -1.507029 2.463966 2.753397 2.895518 2.359130
info: new grain 267 pks, i 105252 j 2827 UBI -1.540633 1.027206 -2.277022 2.795287 -0.816692 -0.369964 -1.389997 -4.311256 -1.005297
info: new grain 280 pks, i 105250 j 2822 UBI 2.456494 0.563351 1.504659 -2.430407 -0.831427 1.418828 1.276508 -4.443136 -0.416437
info: new grain 288 pks, i 105248 j 58515 UBI 0.425507 1.729900 -2.334112 1.549617 0.438128 2.455961 3.277847 -2.895591 -1.549788
info: new grain 304 pks, i 105246 j 86797 UBI 0.067412 -2.935271 -0.017369 -2.289542 1.421435 -1.162428 2.136211 0.074933 -4.119081
info: new grain 272 pks, i 105237 j 2794 UBI 2.182361 0.513564 -1.896928 0.608920 -0.831800 2.748693 -0.105420 -4.445575 -1.325592
info: new grain 280 pks, i 105233 j 3236 UBI -1.240024 1.898878 1.863709 1.479536 -2.315661 1.033233 3.901177 2.511444 0.038777
info: new grain 272 pks, i 105232 j 58483 UBI -0.243702 1.792399 2.312240 0.704477 1.089004 -2.633537 -4.501396 0.613196 -0.950053
info: new grain 297 pks, i 105231 j 58482 UBI -1.986640 2.153323 -0.196572 2.676244 0.361562 -1.152470 -1.498054 -1.749674 -4.027276
info: new grain 272 pks, i 105229 j 58928 UBI 0.499160 2.289752 -1.767776 -0.530726 -2.650734 -1.144925 -4.545388 0.937116 -0.066825
info: new grain 276 pks, i 105227 j 30620 UBI -2.135424 0.103767 -2.015498 2.563304 1.335543 -0.507554 1.640131 -3.882113 -1.941112
info: new grain 270 pks, i 105225 j 86311 UBI 0.328743 -1.940251 -2.177967 0.498883 2.851948 -0.485977 4.452391 -0.576189 1.184180
info: new grain 260 pks, i 105219 j 86749 UBI -1.760814 0.366716 -2.320649 -1.146098 -0.208253 2.696054 0.313936 4.602281 0.489670
info: new grain 274 pks, i 105218 j 2762 UBI -0.809447 1.204533 -2.552343 0.147755 1.652745 2.421768 4.436074 0.984548 -0.941202
info: new grain 289 pks, i 105217 j 31050 UBI 2.790377 -0.029264 0.910661 -0.698175 1.275094 -2.551439 -0.673917 4.027397 2.202459
info: new grain 251 pks, i 105215 j 30598 UBI -1.187856 2.680940 0.145194 -0.588740 -1.742156 -2.286885 -3.652041 -1.743607 2.269940
info: new grain 302 pks, i 105214 j 31043 UBI -1.631682 1.096903 -2.182039 2.546612 -1.338557 -0.596269 -2.221957 -4.055074 -0.377546
info: new grain 303 pks, i 105213 j 2750 UBI 0.919239 1.413573 2.402514 0.063095 -2.932508 -0.091897 4.307584 0.141866 -1.731056
info: new grain 282 pks, i 105212 j 30591 UBI 0.399982 1.800726 -2.284771 1.015292 0.746620 2.650508 4.025801 -2.103745 -0.950227
info: new grain 277 pks, i 105211 j 86732 UBI 2.432644 0.138201 -1.637121 -2.636282 0.236562 -1.267916 0.131609 4.602870 0.582948
info: new grain 320 pks, i 105210 j 58441 UBI -1.731480 1.609523 -1.740699 2.708160 -0.715957 -0.878185 -1.655119 -3.880206 -1.938679
info: new grain 260 pks, i 105207 j 2741 UBI 1.563631 -1.875051 -1.629391 -1.080462 2.448444 -1.208803 3.888485 2.272372 1.119126
info: new grain 280 pks, i 105202 j 58879 UBI -0.562095 -1.993828 -2.080192 1.971934 2.120236 -0.491095 3.349836 -2.721492 1.705202
info: new grain 252 pks, i 105199 j 86711 UBI -2.155273 -1.857270 -0.723086 2.761488 -0.566078 -0.817649 0.689478 -2.338029 3.951136
info: new grain 323 pks, i 105196 j 2720 UBI 1.917931 0.797386 2.074165 0.926522 -0.522515 -2.736865 -0.685611 4.461677 -1.082743
info: new grain 282 pks, i 105195 j 30560 UBI 0.991515 -2.454121 -1.271450 0.424139 2.597552 -1.296724 4.036130 0.464844 2.243627
info: new grain 292 pks, i 105192 j 58410 UBI 0.249954 2.582108 1.374293 -1.227943 -0.131307 -2.663561 -4.161580 -0.634996 1.952201
info: new grain 260 pks, i 105191 j 58857 UBI 2.542162 -1.440729 -0.281070 -0.123920 2.461316 1.596135 -0.998136 -2.502646 3.778989
info: new grain 271 pks, i 105187 j 30545 UBI -1.934378 0.770601 -2.068449 -0.922046 -0.584100 2.725217 0.554662 4.463774 1.142984
info: new grain 264 pks, i 105185 j 3148 UBI -1.345149 1.884340 -1.805178 1.015746 0.926508 2.592948 4.076248 1.029813 -1.963484
info: new grain 260 pks, i 105183 j 58392 UBI -2.124215 -1.953787 -0.537483 2.229789 0.296473 -1.884337 2.388881 -3.235155 2.316648
info: new grain 272 pks, i 105182 j 86233 UBI 2.168153 -0.324724 -1.951549 0.616080 0.776954 2.763194 0.384044 -4.475482 1.171287
info: new grain 264 pks, i 105181 j 86680 UBI -0.639667 -2.149566 -1.894353 2.311419 1.745108 -0.485426 2.702793 -2.911591 2.396642
info: new grain 273 pks, i 105180 j 30535 UBI 2.256062 1.773204 -0.620192 -2.715699 0.726511 -0.847828 -0.654904 2.237418 4.013381
info: new grain 299 pks, i 105174 j 31414 UBI -1.434295 0.989498 2.361699 2.867985 -0.603215 0.170379 0.995149 4.365489 -1.224465
info: new grain 272 pks, i 105173 j 86661 UBI 0.542427 2.850761 -0.449049 1.958181 -1.662106 1.423115 2.057773 -1.026673 -4.030164
info: new grain 262 pks, i 105161 j 31394 UBI -2.360568 0.160232 -1.737902 -0.165564 0.908359 2.786626 1.258394 4.267879 -1.314619
info: new grain 263 pks, i 105159 j 3100 UBI -1.684651 1.016302 -2.177498 -0.497724 0.856730 2.764447 2.906448 3.570049 -0.582952
info: new grain 297 pks, i 105152 j 30926 UBI 2.259968 -1.870765 0.097285 -2.542765 -0.701749 1.287396 -1.456581 -1.963755 -3.945364
info: new grain 239 pks, i 105150 j 3530 UBI 1.044363 2.362348 -1.395222 -1.742683 -1.889538 -1.416685 -3.720646 2.432592 1.334799
info: new grain 266 pks, i 105138 j 30896 UBI 1.898558 0.151031 2.232172 -2.884494 0.178325 0.514757 -0.198798 -4.611464 0.478471
info: new grain 294 pks, i 105136 j 3500 UBI -2.800775 0.162061 0.861067 0.831730 1.236731 -2.531076 -0.917000 -3.959841 -2.236874
info: new grain 264 pks, i 105117 j 58723 UBI -0.792573 -2.170953 -1.810707 0.223169 2.747216 -1.010429 4.458218 -0.748674 -1.054125
info: new grain 260 pks, i 105114 j 86562 UBI -2.176041 -1.117137 -1.622374 -0.615615 1.547528 2.418129 -0.114960 3.893137 -2.523646
info: new grain 243 pks, i 105101 j 58695 UBI 1.473776 -1.479621 -2.062875 -0.574526 2.854639 -0.370143 4.003760 1.075896 2.087579
info: new grain 270 pks, i 105086 j 31262 UBI -2.870145 0.284188 0.547538 1.435221 -2.397410 0.900295 0.977346 2.094966 4.023902
info: new grain 299 pks, i 105083 j 86507 UBI -0.981785 2.164684 -1.723143 -0.099117 -2.782332 -0.935012 -4.238265 -0.462824 1.833652
info: new grain 273 pks, i 105078 j 3406 UBI 0.674646 1.183351 -2.601073 -1.679277 -2.405102 0.129195 -3.796376 2.659788 0.226757
info: new grain 252 pks, i 105075 j 31239 UBI 1.361501 2.063884 1.583288 -0.787114 0.557858 -2.772509 -4.108247 1.573422 1.482053
info: new grain 247 pks, i 105068 j 86918 UBI 1.879268 1.140187 -1.946530 1.013858 -1.394002 2.376774 -0.003842 -4.002763 -2.346815
info: new grain 286 pks, i 105059 j 58612 UBI -0.941746 2.594684 -0.995786 -0.415437 -2.424923 -1.601406 -4.086958 -0.682361 2.093904
info: new grain 286 pks, i 105058 j 58611 UBI 2.856605 0.638405 -0.216962 -2.000009 1.825760 -1.130611 -0.201900 2.280222 4.038662
info: new grain 280 pks, i 105050 j 86889 UBI 1.933483 -0.179795 -2.203433 0.728874 -0.965273 2.675013 -1.622742 -4.210322 -1.077537
info: new grain 272 pks, i 105036 j 3329 UBI -1.787127 0.924362 -2.138293 -0.679660 0.518612 2.808505 2.307997 4.022151 -0.182773
info: new grain 270 pks, i 105032 j 58566 UBI -1.432191 -1.717371 -1.900416 1.351424 2.428281 -0.946854 3.881257 -2.442544 -0.717626
info: new grain 248 pks, i 105030 j 31154 UBI 2.004786 0.437216 -2.100110 0.583259 -1.818619 2.228859 -1.767275 -3.540154 -2.425152
info: new grain 280 pks, i 105024 j 2853 UBI 0.168603 1.708342 2.380350 -0.272631 1.211771 -2.660874 -4.621095 -0.124395 0.417162
info: new grain 278 pks, i 105022 j 58544 UBI -0.576121 1.100906 -2.659006 -1.155373 1.253709 2.391153 3.710775 2.768105 0.341786
info: new grain 282 pks, i 105021 j 3293 UBI 2.683382 0.405829 -1.122152 -0.321008 -1.354898 2.584157 -0.290333 -4.088456 -2.177075
info: new grain 295 pks, i 105015 j 58531 UBI 1.648831 1.271273 -2.071761 -2.837404 -0.540943 -0.512039 -1.098806 4.178740 1.693166
info: new grain 268 pks, i 105012 j 31121 UBI -0.125745 2.733365 1.065825 -0.856901 -0.542054 -2.755318 -4.321394 -0.784544 1.496716
info: new grain 299 pks, i 105008 j 58965 UBI 0.593965 2.549015 -1.324339 0.249357 -0.234454 2.917027 4.436413 -1.282304 -0.481957
info: new grain 292 pks, i 105004 j 2814 UBI -0.423141 -1.411691 2.539222 0.821256 -1.494148 -2.390746 4.455265 0.664306 1.111468
info: new grain 279 pks, i 104999 j 58947 UBI -2.668254 0.371409 1.164443 0.579659 -2.384071 -1.613936 1.352860 -2.258145 3.822237
info: new grain 256 pks, i 104989 j 58472 UBI 1.674003 -0.665811 2.316936 -2.543115 1.419941 0.383290 -2.204129 -4.062181 0.422351
info: new grain 252 pks, i 104987 j 86309 UBI 0.374676 -1.385023 -2.561543 0.821068 -1.295383 2.503399 -4.218423 -1.890844 0.404890
info: new grain 232 pks, i 104986 j 3215 UBI 0.193321 2.920204 -0.223467 1.110718 -1.369423 2.348039 4.072519 -0.435298 -2.181674
info: new grain 264 pks, i 104968 j 3178 UBI -1.633947 -2.383165 -0.516540 -1.183885 2.329736 1.337158 -1.234451 1.738959 -4.122901
info: new grain 280 pks, i 104967 j 86714 UBI -1.492431 -1.550745 1.996045 1.962822 2.003322 0.866777 -3.321697 3.240450 0.033498
info: new grain 267 pks, i 104966 j 58866 UBI 0.685127 -2.263961 -1.739492 -0.959685 -0.486018 2.731425 -4.369692 -0.124138 -1.557986
info: new grain 255 pks, i 104960 j 86693 UBI 0.998522 -2.332707 -1.476550 -0.253084 2.593750 -1.351542 4.340125 1.071349 1.245164
info: new grain 304 pks, i 104959 j 58402 UBI -0.898762 -1.450989 -2.390710 1.022241 -1.481095 2.319858 -4.290676 -0.225105 1.748563
info: new grain 274 pks, i 104958 j 3152 UBI 1.849294 -2.190690 -0.630730 -2.347398 -0.501295 1.692432 -2.499771 -1.027166 -3.771103
info: new grain 284 pks, i 104955 j 30540 UBI 1.863568 1.051175 -2.008676 -1.274275 -2.614422 -0.404819 -3.530429 2.060846 -2.198044
info: new grain 285 pks, i 104951 j 3139 UBI -1.530293 -1.910877 -1.618698 2.671674 0.850066 -0.870460 1.892692 -3.517660 2.363761
info: new grain 284 pks, i 104950 j 86228 UBI -1.784230 1.377550 -1.881255 2.367427 -1.421057 -0.995280 -2.515867 -3.875673 -0.452311
info: new grain 246 pks, i 104948 j 3136 UBI 2.280771 1.708898 0.704346 -0.050235 -2.808543 0.854513 2.136289 -1.235327 -3.930526
info: new grain 295 pks, i 104947 j 86225 UBI -1.168972 -2.446111 -1.128740 1.771719 1.673187 -1.638534 3.662194 -2.433146 1.478697
info: new grain 298 pks, i 104945 j 2685 UBI 0.993014 1.978224 1.929910 -0.346057 0.744626 -2.819297 -4.356471 1.322623 0.885665
info: Number of orientations with more than 160 peaks is 313
info: Time taken 0.178/s
info: UBI for best fitting
[[ 1.12773446 -1.02371029 2.50895036]
[-0.83904579 2.80810482 -0.19574142]
[-4.25382344 -1.17053159 1.43552831]]
info: Unit cell: (2.935063826060133, 2.9373057705299495, 4.639601227462612, 89.99501835177189, 89.98833998738192, 120.0109144745388)
info: Indexes 339 peaks, with <drlv2>=0.006736
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 31068
info: Tried r1=6 r2=1 attempt 5 of 144, got 313 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, 0, -2), (0, 0, 2)]
info: Ring 2: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 1014
info: Number of peaks in ring 2: 3060
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 1014
info: Time taken 0.006686 /s
info: Scoring 1014 potential orientations
info: new grain 221 pks, i 87113 j 43900 UBI 1.676836 -1.066107 2.160577 1.223971 0.822655 -2.538801 0.577691 4.291442 1.669799
info: new grain 300 pks, i 87112 j 16057 UBI -0.975308 2.439161 -1.309584 -1.903578 -2.044445 0.898396 -0.301915 2.091411 4.133636
info: new grain 284 pks, i 87093 j 44760 UBI 2.403034 -1.052360 1.320667 -2.341361 -1.728241 -0.382597 1.670867 -1.348849 -4.113883
info: new grain 279 pks, i 87088 j 16913 UBI 1.021171 -2.634032 -0.795509 -2.871665 0.580909 -0.193174 0.604163 1.544381 -4.335007
info: new grain 261 pks, i 87087 j 98245 UBI 1.492507 1.975235 -1.578955 -2.858156 0.404528 0.533088 1.050974 2.307193 3.886563
info: new grain 294 pks, i 87084 j 16468 UBI -2.284874 1.433420 -1.161562 2.560876 1.383202 0.374879 1.331523 -1.317364 -4.245196
info: new grain 272 pks, i 87078 j 16023 UBI -2.109065 -0.901667 -1.831738 -0.702692 1.006027 2.667023 -0.351184 4.298534 -1.714398
info: new grain 248 pks, i 87071 j 72151 UBI 2.346244 1.532009 -0.874521 0.232534 -2.884214 0.498811 -1.093370 -0.854337 -4.428585
info: new grain 295 pks, i 87052 j 43397 UBI -1.251197 -0.500077 -2.608001 -1.389470 -0.776059 2.468152 -2.023496 4.171268 0.172589
info: new grain 290 pks, i 87030 j 14652 UBI 2.446738 0.077547 1.621262 0.139747 0.487873 -2.889583 -0.629858 4.541325 0.731504
info: new grain 286 pks, i 87027 j 44696 UBI 2.848645 -0.631836 0.316702 -1.891950 -2.103161 -0.787434 0.720634 1.023612 -4.468443
info: new grain 263 pks, i 87019 j 43808 UBI -0.705609 -1.223371 -2.574344 2.728938 -0.262721 1.053758 -1.221866 -3.902537 2.192082
info: new grain 296 pks, i 87014 j 15961 UBI 1.224668 2.531697 0.843355 1.695476 -2.236495 -0.858284 -0.177700 1.542071 -4.374110
info: new grain 320 pks, i 87007 j 15954 UBI -1.119610 -0.622409 2.642076 -0.566228 -1.752494 -2.283812 3.767962 -2.521008 1.003083
info: new grain 276 pks, i 87006 j 70765 UBI -2.680269 1.190606 0.135663 1.296577 -0.979774 2.445028 1.893302 4.183541 0.671085
info: new grain 248 pks, i 87003 j 71646 UBI 1.119244 2.707788 0.187075 1.717379 -2.332967 0.468728 1.062383 -0.128912 -4.514560
info: new grain 268 pks, i 86986 j 42450 UBI -2.789532 0.020297 0.914299 0.640123 0.705771 -2.777455 -0.435600 -4.451704 -1.234591
info: new grain 306 pks, i 86983 j 72066 UBI 2.070372 -1.916881 0.808559 0.734583 2.768528 -0.642168 -0.625985 1.194875 4.440720
info: new grain 268 pks, i 86978 j 71622 UBI 0.337255 -2.868856 -0.530785 -2.454123 0.977743 1.279420 -1.956348 0.544941 -4.171908
info: new grain 277 pks, i 86962 j 71164 UBI -1.546712 -1.587400 1.926907 -0.577354 -0.206585 -2.871197 3.081524 -3.449010 -0.371639
info: new grain 264 pks, i 86959 j 44188 UBI 2.071234 -1.617299 -1.307321 -0.430609 -0.227336 2.895166 -3.097122 -3.380113 -0.726224
info: new grain 271 pks, i 86951 j 15015 UBI 1.755418 0.102253 2.351473 0.768739 1.394985 -2.466245 -2.193971 3.816833 1.469957
info: new grain 254 pks, i 86937 j 43285 UBI 1.780381 0.995886 -2.112303 -2.668759 -1.011527 -0.686305 -1.753552 4.262971 0.532041
info: new grain 278 pks, i 86931 j 15437 UBI -1.837274 0.762146 -2.159693 -0.543703 0.849042 2.757331 2.446762 3.877586 -0.712889
info: new grain 252 pks, i 86928 j 99414 UBI -2.122281 0.884273 -1.824956 -0.498055 -0.101176 2.891102 1.477206 4.381905 0.406999
info: new grain 259 pks, i 86924 j 43272 UBI -2.356035 -1.707179 0.381251 2.679973 -1.195154 -0.086465 0.371516 0.506219 4.599163
info: new grain 294 pks, i 86922 j 70241 UBI 2.555596 0.443596 1.375855 -0.561435 -2.594613 -1.255131 1.873872 1.514031 -3.966248
info: new grain 259 pks, i 86919 j 42826 UBI 1.827847 0.643676 2.204236 0.146392 1.505991 -2.518197 -3.070881 3.062967 1.652196
info: new grain 288 pks, i 86912 j 15861 UBI -2.079864 -1.786821 -1.052053 2.648645 -1.070595 0.673168 -1.448841 -0.863559 4.321328
info: new grain 266 pks, i 86910 j 42817 UBI 0.012998 -0.722866 -2.845608 1.939078 -1.222146 1.833258 -2.987812 -3.445007 0.862725
info: new grain 288 pks, i 86899 j 99826 UBI 1.245138 2.580410 -0.641756 -2.684297 -0.079873 1.187532 1.872364 0.150024 4.242462
info: new grain 270 pks, i 86885 j 14950 UBI 0.861899 0.472185 -2.768039 -1.241064 2.168725 1.542202 4.181558 1.306214 1.525560
info: new grain 240 pks, i 86883 j 15391 UBI -1.643043 1.217545 -2.104579 -0.102248 1.058852 2.733142 3.456269 2.933509 -1.004878
info: new grain 263 pks, i 86878 j 71524 UBI 1.358297 -2.462815 -0.843577 -2.932967 0.130352 0.003849 0.064548 1.538991 -4.377654
info: new grain 270 pks, i 86875 j 100242 UBI -1.616944 -1.990581 -1.428323 2.727048 -0.665991 0.855755 -1.650955 -1.562445 4.047477
info: new grain 280 pks, i 86873 j 43223 UBI 1.363773 0.509001 2.549099 -0.020896 -2.704874 -1.138929 3.931067 0.933827 -2.286674
info: new grain 284 pks, i 86871 j 99359 UBI 0.368462 2.698381 -1.091934 0.395328 -0.489825 2.867804 4.482481 -0.926830 -0.775566
info: new grain 253 pks, i 86863 j 99790 UBI -0.718530 -0.484928 2.805695 -2.028017 0.969302 -1.888114 -1.122889 -4.379692 -1.044506
info: new grain 302 pks, i 86852 j 98898 UBI 1.986335 -0.699017 2.046178 0.842910 0.435777 -2.778509 0.653499 4.505097 0.906738
info: new grain 256 pks, i 86851 j 15359 UBI -0.416622 -1.924232 -2.176114 0.158602 -0.938513 2.777140 -4.593135 0.503401 0.432567
info: new grain 255 pks, i 86848 j 100215 UBI -0.501047 2.496503 1.458500 -2.242863 -1.490669 -1.166434 -0.459924 -2.397069 3.948382
info: new grain 248 pks, i 86837 j 72362 UBI 1.388336 -0.685978 2.494348 -2.054329 -1.798705 -1.079816 3.249880 -2.252369 -2.428636
info: new grain 274 pks, i 86836 j 70156 UBI 2.645776 -0.586711 -1.131766 -0.995685 2.762113 0.054280 1.922986 0.609813 4.178221
info: new grain 260 pks, i 86833 j 15341 UBI 0.320410 2.490352 1.520284 -2.625026 -0.722287 -1.099328 -1.020221 -2.263079 3.921853
info: new grain 255 pks, i 86823 j 43615 UBI 0.904755 1.753898 -2.172889 1.208796 0.223289 2.666178 3.213222 -3.129557 -1.192919
info: new grain 321 pks, i 86814 j 43606 UBI 2.267243 1.862845 0.093665 -2.524364 0.820598 -1.255623 -1.499576 1.622351 4.080309
info: new grain 264 pks, i 86806 j 15315 UBI 0.170254 0.131560 2.929490 -2.329339 -1.244415 -1.280298 2.161501 -4.105954 0.058435
info: new grain 256 pks, i 86803 j 70125 UBI 2.708496 -0.974073 -0.579264 -1.861254 -1.663146 1.546455 -1.535431 -1.933553 -3.930922
info: new grain 273 pks, i 86802 j 16191 UBI 0.554253 -0.722743 -2.789266 2.206704 0.209038 1.924823 -0.500566 -4.490622 1.060331
info: new grain 263 pks, i 86795 j 99722 UBI -0.448871 -0.067228 -2.900549 -0.628494 -2.354861 1.637494 -4.313713 1.587210 0.630670
info: new grain 289 pks, i 86793 j 44466 UBI -0.996190 2.316171 1.502481 2.602799 0.136992 -1.354745 -2.078410 1.590114 -3.831643
info: new grain 286 pks, i 86792 j 14857 UBI 1.232899 0.926400 -2.496864 -2.194307 1.531412 1.212347 3.071988 2.477482 2.438403
info: new grain 270 pks, i 86790 j 70996 UBI 2.230252 0.739172 1.761041 -0.363732 1.377957 -2.567245 -2.687132 3.162004 2.076814
info: new grain 282 pks, i 86787 j 71872 UBI 0.494428 -2.564209 1.341810 -2.676151 0.624714 -1.031669 1.121296 -1.916736 -4.075685
info: new grain 269 pks, i 86784 j 43136 UBI 1.762559 1.747253 1.569158 0.652212 -0.615397 -2.795906 -2.433663 3.698986 -1.385250
info: new grain 266 pks, i 86782 j 42250 UBI 1.422447 0.525530 -2.514571 -1.026076 2.236056 1.602340 4.017142 0.186267 2.314027
info: new grain 299 pks, i 86781 j 15733 UBI -2.427642 0.860971 1.410082 0.177797 0.277954 -2.916649 -1.806325 -4.242671 -0.516870
info: new grain 265 pks, i 86779 j 100148 UBI 0.281156 0.663770 -2.844476 -0.500711 2.127549 1.958662 4.574402 0.549464 0.575784
info: new grain 252 pks, i 86776 j 72303 UBI -1.534419 -2.432717 0.584616 2.931433 -0.107755 -0.131063 0.237478 0.940973 4.538889
info: new grain 303 pks, i 86775 j 15727 UBI 0.576334 -2.138542 1.927198 1.172383 -0.093412 -2.690784 3.685928 2.370728 1.524707
info: new grain 286 pks, i 86769 j 16161 UBI 2.134245 1.945890 0.525124 -2.675731 0.928258 -0.771699 -1.238862 0.145826 4.471068
info: new grain 264 pks, i 86766 j 14392 UBI -2.696050 0.142314 -1.153111 0.487251 0.992709 2.720049 0.950560 4.210000 -1.705906
info: new grain 316 pks, i 86765 j 71853 UBI 1.965732 -2.171079 0.189185 0.746050 2.730091 0.780885 -1.373952 -0.866993 4.348954
info: new grain 264 pks, i 86756 j 100125 UBI -0.280213 2.757120 -0.966587 2.638315 -1.017794 0.787053 0.738088 -1.448105 -4.347216
info: new grain 248 pks, i 86755 j 44428 UBI -0.572371 0.328393 -2.861721 -1.887400 1.023680 2.003220 2.230140 4.067826 0.020661
info: new grain 288 pks, i 86754 j 15706 UBI -0.091992 2.044341 -2.105175 0.612701 0.768359 2.766687 4.520326 -0.644473 -0.823915
info: new grain 272 pks, i 86750 j 72277 UBI -1.408777 0.381702 -2.546534 -0.409008 -2.459349 1.548379 -3.529600 2.005343 2.252660
info: new grain 290 pks, i 86747 j 71395 UBI -0.032451 2.250401 -1.883560 -0.029038 0.505392 2.892615 4.639214 0.091654 0.029765
info: new grain 306 pks, i 86743 j 71832 UBI 1.255979 -0.544492 -2.594285 1.660584 0.249452 2.407900 -0.415897 -4.561108 0.757753
info: new grain 256 pks, i 86738 j 98785 UBI -2.040324 -0.335372 -2.084747 -0.705243 1.263258 2.554258 1.104633 4.154105 -1.750055
info: new grain 280 pks, i 86737 j 43971 UBI 2.732688 1.038115 0.284667 -0.566986 -2.821623 0.577849 0.870222 -1.079134 -4.428028
info: new grain 288 pks, i 86730 j 99219 UBI 0.318351 -2.648938 1.227281 1.209947 2.356486 1.262603 -3.879823 0.671599 2.456793
info: new grain 286 pks, i 86725 j 43960 UBI 0.187649 -1.785328 2.324045 0.935675 -0.909959 -2.629216 4.233574 1.657479 0.932470
info: new grain 316 pks, i 86724 j 42635 UBI -0.176997 2.929971 -0.024387 -2.224645 -1.613210 -1.033295 -1.907305 -0.079835 4.229893
info: new grain 261 pks, i 86723 j 14792 UBI 1.144464 -2.154628 1.633949 0.352098 -0.021355 -2.914654 3.925587 2.432572 0.458164
info: new grain 255 pks, i 86722 j 14791 UBI 2.706443 -0.049450 1.136364 -0.378069 -0.237687 -2.902033 0.257055 4.614451 -0.411256
info: new grain 275 pks, i 86720 j 70043 UBI -2.834814 0.726083 -0.229643 2.018978 2.086071 0.447390 0.502543 0.500716 -4.585755
info: new grain 260 pks, i 86719 j 70924 UBI 2.727105 0.809567 -0.724193 -1.955841 2.020235 0.840185 1.334278 -0.541641 4.413768
info: new grain 250 pks, i 86717 j 71806 UBI 0.992979 0.378129 2.736917 -1.346875 -2.501187 -0.739072 4.081196 -1.836442 -1.226776
info: new grain 277 pks, i 86710 j 97876 UBI -0.403866 -2.724416 1.014769 -0.434879 0.588332 -2.843359 4.447435 -0.988032 -0.884209
info: new grain 280 pks, i 86709 j 14778 UBI 0.539878 2.085813 1.995227 -0.632605 0.745301 -2.766545 -4.515381 0.147171 1.069753
info: new grain 268 pks, i 86703 j 71350 UBI 0.941437 -1.654590 -2.234608 1.081454 -0.423912 2.695380 -3.362295 -3.080856 0.864953
info: new grain 293 pks, i 86697 j 98304 UBI -2.656743 1.150985 -0.479052 1.382482 -1.445232 -2.149793 -1.966761 -3.963240 1.400241
info: new grain 277 pks, i 86696 j 70461 UBI -1.817994 -1.161598 1.991052 -0.593369 -0.266097 -2.863220 2.398447 -3.971469 -0.128050
info: new grain 286 pks, i 86694 j 16527 UBI -0.725502 0.445402 -2.809150 0.720252 -2.693597 0.919804 -4.450523 -0.841691 1.015894
info: new grain 257 pks, i 86683 j 71330 UBI 1.007518 1.921876 -1.978692 0.984272 0.087007 2.764287 3.408863 -2.942850 -1.120733
info: new grain 244 pks, i 86660 j 14729 UBI 2.025569 0.223734 -2.112011 0.541997 1.088958 2.669467 1.804465 -4.075938 1.294832
info: new grain 234 pks, i 86657 j 100028 UBI 1.280833 2.212158 1.445695 -2.461035 0.474912 -1.536383 -2.539522 -0.985684 3.756365
info: new grain 257 pks, i 86593 j 72564 UBI -0.201450 0.393125 -2.902605 -2.213359 -1.249567 1.467775 -1.896524 4.178691 0.696154
info: new grain 261 pks, i 86588 j 72118 UBI 0.285604 -2.817782 -0.765845 2.375859 1.579845 0.697392 -0.472781 -1.255557 4.443594
info: new grain 278 pks, i 86570 j 42923 UBI -2.035433 1.836589 -1.054655 -0.814261 -2.385377 1.503682 0.151925 2.434384 3.946673
info: new grain 264 pks, i 86520 j 15031 UBI 2.321259 -0.469400 1.734394 0.194712 -0.513880 -2.884276 1.394265 4.372508 -0.684976
info: new grain 283 pks, i 86484 j 16760 UBI 0.572069 -2.338134 1.679735 1.266935 0.260147 -2.634640 3.564592 2.267220 1.929090
info: new grain 296 pks, i 86473 j 43269 UBI -2.521958 -0.355092 -1.462087 -0.026718 0.309442 2.919491 -0.364050 4.598802 -0.491635
info: new grain 262 pks, i 86460 j 14532 UBI -2.778890 -0.746330 -0.581315 0.641668 2.744974 0.819906 0.611660 1.186697 -4.445319
info: new grain 302 pks, i 86447 j 43244 UBI 2.072515 1.352532 -1.577112 0.512469 -0.699191 2.804468 1.676653 -4.118699 -1.330253
info: new grain 287 pks, i 86439 j 43237 UBI 0.633216 0.014195 -2.864798 -0.287348 2.536592 1.452821 4.532616 -0.054683 1.000233
info: new grain 243 pks, i 86433 j 15389 UBI 0.839862 0.889012 2.668979 1.863290 -1.498515 -1.701864 1.543042 3.985174 -1.809059
info: new grain 368 pks, i 86418 j 42183 UBI -0.862800 -0.721163 -2.711882 0.193163 2.824133 0.776134 4.414418 0.093486 -1.431106
info: new grain 262 pks, i 86414 j 71508 UBI -2.556505 0.481959 -1.360274 0.834433 -2.742829 0.625777 -2.134744 0.287704 4.113016
info: Number of orientations with more than 160 peaks is 413
info: Time taken 0.166/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 7887
info: Tried r1=1 r2=4 attempt 6 of 144, got 413 grains
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(0, 0, -2), (0, 0, 2)]
info: Possible angles and cosines between peaks in rings:
info: 90.000000 0.000000
info: Number of peaks in ring 1: 810
info: Number of peaks in ring 2: 211
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 566
info: Time taken 0.001498 /s
info: Scoring 566 potential orientations
info: new grain 275 pks, i 100421 j 87057 UBI 1.784707 -2.329634 -0.070891 -2.847213 -0.311872 -0.644110 0.920353 0.842888 -4.471801
info: new grain 303 pks, i 100417 j 30909 UBI -2.802303 0.711419 -0.506229 1.898637 2.056310 0.886494 1.040678 0.946301 -4.422360
info: new grain 270 pks, i 100388 j 30879 UBI -2.223279 -1.303154 -1.404718 0.191670 -0.172923 2.924358 -2.522492 3.876537 0.393782
info: new grain 294 pks, i 100361 j 31300 UBI 2.409899 -1.148115 -1.221892 -0.367063 -0.112167 2.910567 -2.164680 -4.082459 -0.429229
info: new grain 291 pks, i 100247 j 2894 UBI -0.966271 2.719549 -0.539798 2.772082 -0.725171 -0.636679 -1.318711 -1.310200 -4.252464
info: new grain 270 pks, i 100197 j 58988 UBI -2.913904 0.306085 -0.179338 1.752378 2.307829 -0.474206 0.164691 -1.058508 -4.516971
info: new grain 284 pks, i 100193 j 31130 UBI -0.384939 1.579390 2.442033 1.578003 1.095459 -2.222135 -3.842922 1.859202 -1.813979
info: new grain 280 pks, i 100186 j 30675 UBI -1.958436 -1.818944 -1.214813 -0.199031 0.679330 2.849596 -2.711930 3.612567 -1.051484
info: new grain 244 pks, i 100179 j 3274 UBI -0.790475 2.820623 0.194481 -0.881340 -1.616878 -2.285934 -3.813958 -1.228859 2.341649
info: new grain 302 pks, i 100177 j 30666 UBI 2.494015 1.341464 0.777436 -2.548263 1.448894 0.141410 -0.579326 -1.454445 4.367219
info: new grain 262 pks, i 100173 j 31108 UBI -0.891216 0.768731 2.689281 0.386835 -2.833892 -0.664280 4.419542 0.279249 1.386864
info: new grain 280 pks, i 100165 j 3258 UBI 1.215902 0.416108 -2.638316 -2.833062 -0.741676 0.209029 -1.164826 4.489754 0.170327
info: new grain 279 pks, i 100154 j 58943 UBI 2.589050 -1.116742 -0.820818 -1.153479 -0.727743 2.598790 -2.178802 -3.590964 -1.972897
info: new grain 290 pks, i 100136 j 58925 UBI -2.902849 -0.066731 -0.443811 1.503288 2.470085 -0.496656 0.701340 -1.309735 -4.395569
info: new grain 261 pks, i 100129 j 31064 UBI 0.441302 -2.862040 -0.493874 -2.703004 0.991664 0.566771 -0.705779 0.676604 -4.536734
info: new grain 273 pks, i 100120 j 2765 UBI -2.626553 -1.070466 -0.758710 1.200267 -0.742579 2.574579 -2.063725 3.639614 2.008054
info: new grain 259 pks, i 100094 j 58436 UBI 0.631312 -2.852645 -0.285565 -1.405050 0.961430 2.390815 -4.073749 -0.691366 -2.115287
info: new grain 259 pks, i 100083 j 2726 UBI 0.104648 2.844537 -0.718665 2.412440 -1.356265 0.977840 1.123918 -1.141467 -4.356265
info: new grain 274 pks, i 100062 j 30547 UBI -0.490191 2.805314 -0.713186 2.741955 -1.046714 0.039729 -0.392716 -1.203370 -4.464972
info: new grain 265 pks, i 100059 j 86240 UBI -1.362538 -2.355515 1.100672 1.432361 -0.192809 -2.554238 3.877459 -1.182293 2.264403
info: new grain 291 pks, i 99811 j 30740 UBI 2.608382 -0.775809 1.099555 -0.417922 2.729459 -0.998015 -1.382294 1.329855 4.225134
info: new grain 306 pks, i 99755 j 86828 UBI 0.065863 -1.516213 -2.513091 2.504892 0.668579 1.374619 -0.255027 -3.969880 2.391182
info: new grain 260 pks, i 99745 j 31122 UBI 2.239706 1.797042 -0.614495 -0.121075 -1.356770 2.599879 2.384535 -3.574212 -1.754056
info: new grain 314 pks, i 99636 j 58863 UBI 2.589808 0.362090 -1.338152 -1.060761 -2.700796 0.436330 -2.148000 0.177990 -4.109323
info: new grain 242 pks, i 99458 j 31276 UBI -1.560330 -1.249124 2.149895 -0.255236 -0.976538 -2.756662 3.446661 -3.016154 0.749782
info: new grain 264 pks, i 99281 j 86791 UBI 2.665089 -0.755366 0.972212 -0.577560 2.798082 -0.674624 -1.373324 0.768304 4.365356
info: new grain 298 pks, i 99202 j 86713 UBI 0.667838 -2.109348 1.930170 1.155553 -0.061043 -2.698221 3.609122 2.506798 1.490495
info: new grain 252 pks, i 99191 j 3164 UBI 1.576939 1.856256 -1.636642 1.208660 -2.495111 0.968027 -1.421244 -2.182735 -3.842281
info: Number of orientations with more than 160 peaks is 441
info: Time taken 0.045/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 1841
info: Tried r1=4 r2=1 attempt 7 of 144, got 441 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 72
info: Number of peaks in ring 2: 72
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 26
info: Time taken 0.000141 /s
info: Scoring 26 potential orientations
info: new grain 250 pks, i 105193 j 21183 UBI 1.204116 -1.119275 2.432754 -0.770106 -1.775458 -2.208070 4.219215 0.491837 -1.867527
info: new grain 274 pks, i 104946 j 20932 UBI 1.871635 0.969416 -2.046172 -1.292511 -2.617497 -0.312968 -3.515816 2.007577 -2.266215
info: Number of orientations with more than 160 peaks is 443
info: Time taken 0.003/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 1454
info: Tried r1=6 r2=6 attempt 8 of 144, got 443 grains
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 30.000000 0.866025
info: 90.000000 0.000000
info: 150.000000 -0.866025
info: Number of peaks in ring 1: 151
info: Number of peaks in ring 2: 44
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 105
info: Time taken 0.000261 /s
info: Scoring 105 potential orientations
info: new grain 287 pks, i 100446 j 105379 UBI -2.770828 -0.094251 -0.969386 2.227348 -0.157708 -1.903608 0.016392 -4.624415 0.404209
info: new grain 288 pks, i 100168 j 76689 UBI -1.093236 -1.562251 -2.232606 0.484602 2.877706 -0.318750 4.305912 -0.889849 -1.489272
info: new grain 343 pks, i 100167 j 104531 UBI 1.384904 0.130957 -2.585831 1.368634 -1.114156 2.345766 -1.599124 -4.224991 -1.070932
info: new grain 322 pks, i 99693 j 48819 UBI 1.572305 -2.323488 -0.871388 -0.910132 0.192300 2.783405 -3.910499 -2.227410 -1.125727
info: new grain 267 pks, i 99646 j 21662 UBI 0.473363 -0.178562 2.892035 2.172508 0.820873 -1.795213 -1.276380 4.436399 0.484343
info: Number of orientations with more than 160 peaks is 448
info: Time taken 0.010/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 444
info: Tried r1=4 r2=6 attempt 9 of 144, got 448 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 30.000000 0.866025
info: 90.000000 0.000000
info: 150.000000 -0.866025
info: Number of peaks in ring 1: 4
info: Number of peaks in ring 2: 41
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 4
info: Time taken 0.000029 /s
info: Scoring 4 potential orientations
info: Number of orientations with more than 160 peaks is 448
info: Time taken 0.006/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 444
info: Tried r1=6 r2=4 attempt 10 of 144, got 448 grains
info: hkls of rings being used for indexing
info: Ring 1: [(0, -1, 0), (1, -1, 0), (-1, 0, 0), (1, 0, 0), (-1, 1, 0), (0, 1, 0)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 45
info: Number of peaks in ring 2: 4
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 0
info: Time taken 0.000079 /s
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(0, -1, 0), (1, -1, 0), (-1, 0, 0), (1, 0, 0), (-1, 1, 0), (0, 1, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 4
info: Number of peaks in ring 2: 45
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 0
info: Time taken 0.000026 /s
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 60.000000 0.500000
info: 120.000000 -0.500000
info: Number of peaks in ring 1: 41
info: Number of peaks in ring 2: 41
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 41
info: Time taken 0.000079 /s
info: Scoring 41 potential orientations
info: new grain 259 pks, i 100110 j 70947 UBI -0.051324 2.934504 -0.004453 -2.512335 -1.514007 -0.156658 -0.292361 0.003080 4.631294
info: new grain 275 pks, i 100027 j 43891 UBI -1.956544 2.184875 0.130809 -0.915458 -2.778314 -0.246176 -0.108115 -0.375352 4.625469
info: Number of orientations with more than 160 peaks is 450
info: Time taken 0.003/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 7
info: Tried r1=4 r2=4 attempt 11 of 144, got 450 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Ring 2: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Possible angles and cosines between peaks in rings:
info: 15.318545 0.964472
info: 61.168460 0.482236
info: 118.831540 -0.482236
info: 164.681455 -0.964472
info: Number of peaks in ring 1: 4
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 4
info: Time taken 0.000027 /s
info: Scoring 4 potential orientations
info: Number of orientations with more than 160 peaks is 450
info: Time taken 0.006/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 7
info: Tried r1=6 r2=8 attempt 12 of 144, got 450 grains
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Ring 2: [(0, -2, 0), (2, -2, 0), (-2, 0, 0), (2, 0, 0), (-2, 2, 0), (0, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 15.318545 0.964472
info: 61.168460 0.482236
info: 118.831540 -0.482236
info: 164.681455 -0.964472
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 4
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 2
info: Time taken 0.000024 /s
info: Scoring 2 potential orientations
info: Number of orientations with more than 160 peaks is 450
info: Time taken 0.003/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 7
info: Tried r1=8 r2=6 attempt 13 of 144, got 450 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Ring 2: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Possible angles and cosines between peaks in rings:
info: 33.357369 0.835257
info: 90.000000 0.000000
info: 146.642631 -0.835257
info: Number of peaks in ring 1: 1
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 1
info: Time taken 0.000021 /s
info: Scoring 1 potential orientations
info: Number of orientations with more than 160 peaks is 450
info: Time taken 0.002/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 7
info: Tried r1=4 r2=8 attempt 14 of 144, got 450 grains
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Ring 2: [(1, -2, 0), (-1, -1, 0), (2, -1, 0), (-2, 1, 0), (1, 1, 0), (-1, 2, 0)]
info: Possible angles and cosines between peaks in rings:
info: 33.357369 0.835257
info: 90.000000 0.000000
info: 146.642631 -0.835257
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 1
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 2
info: Time taken 0.000028 /s
info: Scoring 2 potential orientations
info: Number of orientations with more than 160 peaks is 450
info: Time taken 0.001/s
info: UBI for best fitting
[[-0.86280037 -0.72116284 -2.71188152]
[ 0.19316258 2.82413338 0.77613376]
[ 4.41441778 0.09348593 -1.43110638]]
info: Unit cell: (2.9357795689131505, 2.9352043812135835, 4.641539554627022, 89.97482101579617, 89.9797708011102, 119.99652243385455)
info: Indexes 366 peaks, with <drlv2>=0.008493
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 7
info: Tried r1=8 r2=4 attempt 15 of 144, got 450 grains
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Ring 2: [(-2, 0, -1), (0, -2, -1), (-2, 0, 1), (0, -2, 1), (-2, 2, -1), (2, -2, -1), (-2, 2, 1), (2, -2, 1), (0, 2, -1), (2, 0, -1), (0, 2, 1), (2, 0, 1)]
info: Possible angles and cosines between peaks in rings:
info: 30.637089 0.860412
info: 57.663079 0.534897
info: 66.714738 0.395309
info: 113.285262 -0.395309
info: 122.336921 -0.534897
info: 149.362911 -0.860412
info: Number of peaks in ring 1: 2
info: Number of peaks in ring 2: 2
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 0
info: Time taken 0.000023 /s
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info:
Tested 15 pairs and found 450 grains so far
Grain position and UBI refinement#
We can now try to refine the positions and UBIs of the grains we’ve found.
We do this in three ways:
Indexed with \(K_{\alpha_{1}}\) g-vectors, refined with \(K_{\alpha_{1}}\) centroids
Indexed with \(K_{\alpha_{2}}\) g-vectors, refined with \(K_{\alpha_{2}}\) centroids
Indexed with merged g-vectors, refined with both \(K_{\alpha_{1}}\) and \(K_{\alpha_{2}}\) centroids
We implement a gradient-aware minimiser using ADAM from the Optax library. The loss function itself is identical to makemap.py in ImageD11.
Peak to grain assignment#
We have to establish static peak to grain assignments before we can refine, so grains do not compete for peaks. We do this just like ImageD11 - each peak is assigned to the grain that best indexes it (yields \(hkl\) values closest to integer).
[22]:
@jax.jit
def assign(ubi, q_sample):
hklf = (ubi @ q_sample.T).T
hkli = jnp.rint(hklf)
hkle = jnp.linalg.norm(hklf - hkli)
return hkle, hkli
assign_peaks = jax.vmap(assign, in_axes=[None, 0])
assign_grains = jax.vmap(assign_peaks, in_axes=[0, None])
# compute hkl errors
hkle_a1, hkli_a1 = assign_grains(jnp.array(idx_a1.ubis), q_sample_a1[mask_a1])
hkle_a2, hkli_a2 = assign_grains(jnp.array(idx_a2.ubis), q_sample_a2[mask_a2])
hkle_both, hkli_both = assign_grains(jnp.array(idx_both.ubis), q_sample_cat)
# get grain assignments (minimised error per peak)
ga_a1 = jnp.argmin(hkle_a1, axis=0)
ga_a2 = jnp.argmin(hkle_a2, axis=0)
ga_both = jnp.argmin(hkle_both, axis=0)
# get hkli per peak
hkli_a1 = jnp.squeeze(jnp.take_along_axis(hkli_a1, ga_a1[None, :, None], axis=0))
hkli_a2 = jnp.squeeze(jnp.take_along_axis(hkli_a2, ga_a2[None, :, None], axis=0))
hkli_both = jnp.squeeze(jnp.take_along_axis(hkli_both, ga_both[None, :, None], axis=0))
# max grains per peak
M = max(jnp.unique(ga_a1, return_counts=True)[1].max(), jnp.unique(ga_a2, return_counts=True)[1].max(), jnp.unique(ga_both, return_counts=True)[1].max())
M
[22]:
Array(280, dtype=int64)
Refinement code#
[23]:
@jax.jit
def solve_ub_analytical(hkl_int, q_sample, mask):
"""UB = (Qs^T H) (H^T H)^-1, with masked rows zeroed out."""
m = mask.astype(q_sample.dtype)[:, None]
H = hkl_int * m # (N, 3)
Qs = q_sample * m # (N, 3)
HHT = H.T @ H # (3, 3), symmetric
QsHT = Qs.T @ H # (3, 3)
# ridge: grains with <3 usable peaks (or all-padding rows from top_k)
# would otherwise return NaN and poison the whole vmap batch
eps = 1e-12 * jnp.trace(HHT) + 1e-15
HHT = HHT + eps * jnp.eye(3, dtype=HHT.dtype)
# X = QsHT @ inv(HHT); HHT symmetric => X = solve(HHT, QsHT.T).T
return jnp.linalg.solve(HHT, QsHT.T).T
@jax.jit
def per_peak_err(ubi, origin, cen, hkl, wave, kvec, mask):
"""|Δhkl| for every peak in a grain's buffer. Masked rows -> inf."""
q = detector_to_q_vec(cen[:, 0], cen[:, 1], cen[:, 2], wave, kvec, origin)
d = (ubi @ q.T).T - hkl
e = jnp.sqrt(jnp.sum(d * d, axis=1) + 1e-24)
return jnp.where(mask, e, jnp.inf)
per_peak_err_vmap = jax.vmap(per_peak_err, in_axes=(0, 0, 0, 0, 0, 0, 0))
@partial(jax.jit, static_argnums=(7,))
def refine_grain(
initial_ubi, # kept for call-site compatibility; unused (as before)
initial_origin,
cen_obs,
hkl_int,
wavelength,
kvecs,
mask,
num_steps=20,
init_damping=1e-2, # was learning_rate; same positional slot
scaling_factor=1000.0,
):
mf = mask.astype(cen_obs.dtype)
npk = jnp.sum(mf) + 1e-10
def residuals(x):
"""Mask-weighted hkl residual, flattened, for a trial origin."""
origin = x * scaling_factor
q_sample = detector_to_q_vec(
cen_obs[:, 0], cen_obs[:, 1], cen_obs[:, 2],
wavelength, kvecs, origin,
)
ub = solve_ub_analytical(hkl_int, q_sample, mask)
hklf = jnp.linalg.solve(ub, q_sample.T).T # (N, 3)
return ((hklf - hkl_int) * mf[:, None]).ravel() # (3N,)
def mean_hkl_error(r):
d = r.reshape(-1, 3)
return jnp.sum(jnp.sqrt(jnp.sum(d * d, axis=1) + 1e-24)) / npk
jac = jax.jacfwd(residuals) # (3N, 3) — only 3 JVPs
def lm_step(carry, _):
x, lam = carry
r = residuals(x)
J = jac(x)
JTJ = J.T @ J
g = J.T @ r
I3 = jnp.eye(3, dtype=JTJ.dtype)
damp = lam * (jnp.diag(jnp.diag(JTJ)) + 1e-12 * I3)
dx = jnp.linalg.solve(JTJ + damp, -g)
x_try = x + dx
r_try = residuals(x_try)
# NaN in r_try makes this False, so a bad step is rejected automatically
improved = jnp.sum(r_try * r_try) < jnp.sum(r * r)
x_next = jnp.where(improved, x_try, x)
lam_next = jnp.clip(jnp.where(improved, lam / 3.0, lam * 5.0), 1e-10, 1e10)
return (x_next, lam_next), mean_hkl_error(r)
x0 = initial_origin / scaling_factor
lam0 = jnp.asarray(init_damping, x0.dtype)
(x_final, _), loss_history = jax.lax.scan(
lm_step, (x0, lam0), None, length=num_steps
)
final_origin = x_final * scaling_factor
q_sample = detector_to_q_vec(
cen_obs[:, 0], cen_obs[:, 1], cen_obs[:, 2],
wavelength, kvecs, final_origin,
)
final_ubi = jnp.linalg.inv(solve_ub_analytical(hkl_int, q_sample, mask))
final_loss = mean_hkl_error(residuals(x_final))
loss_history = jnp.concatenate([loss_history, final_loss[None]])
return final_ubi, final_origin, loss_history
refine_vmap = jax.vmap(
refine_grain,
in_axes=(0, 0, 0, 0, 0, 0, 0, None, None, None)
)
Just \(K_{\alpha_{1}}\)#
[24]:
%%time
all_origins_a1 = jnp.zeros((len(idx_a1.ubis), 3))
def get_compressed_grain_data(grain_id, assignments, cen, hkl, wave, kvec):
# Create a boolean mask for this specific grain
grain_mask = (assignments == grain_id)
# Use top_k to find the indices of the True values.
# This identifies exactly which rows in the filtered arrays belong to this grain.
# Since we want static shapes, we always take M indices.
_, indices = jax.lax.top_k(grain_mask.astype(jnp.int32), M)
# Gather the data for this grain
# If the grain has < M peaks, top_k pads with the lowest-index zero
# entries (i.e. other grains' peaks); 'mask' is correctly False there.
return {
"cen": cen[indices],
"hkl": hkl[indices],
"wave": wave[indices],
"kvec": kvec[indices],
"mask": grain_mask[indices]
}
# Vectorize the packing over all grain IDs
v_pack = jax.vmap(
get_compressed_grain_data,
in_axes=(0, None, None, None, None, None)
)
# Pack the data into grain-specific buffers (num_grains, M, ...)
grain_ids_a1 = jnp.arange(len(idx_a1.ubis))
compressed_a1 = v_pack(grain_ids_a1, ga_a1, centroid_with_error[mask_a1], hkli_a1, wavelengths_a1[mask_a1], kvecs[mask_a1])
mask_r = compressed_a1["mask"]
for it in range(3):
ubis, origins, losses = refine_vmap(
jnp.array(idx_a1.ubis), all_origins_a1,
compressed_a1["cen"], compressed_a1["hkl"], compressed_a1["wave"],
compressed_a1["kvec"], mask_r,
5, 1e-2, 1000.0)
# outlier rejection - unassign peaks with more than 4x the median hkl error
# LM is very sensitive!
e = per_peak_err_vmap(ubis, origins, compressed_a1["cen"], compressed_a1["hkl"],
compressed_a1["wave"], compressed_a1["kvec"], mask_r)
med = jnp.nanmedian(jnp.where(mask_r, e, jnp.nan), axis=1)
keep = mask_r & (e < 4.0 * med[:, None])
print(f"iter {it}: dropped {int((mask_r & ~keep).sum())} peaks, "
f"min/grain now {int(keep.sum(axis=1).min())}")
mask_r = keep
ubis_fit_a1, origins_sample_fit_a1, all_losses_a1 = ubis, origins, losses
iter 0: dropped 318 peaks, min/grain now 108
iter 1: dropped 10 peaks, min/grain now 108
iter 2: dropped 0 peaks, min/grain now 108
CPU times: user 7.43 s, sys: 144 ms, total: 7.58 s
Wall time: 3.06 s
[25]:
# convergence check
print("mask_r peaks:", int(mask_r.sum()),
" of", int(compressed_a1["mask"].sum()))
pert = jnp.full_like(all_origins_a1, 1.0 / 1000.0) # 1 um real (scaled units)
for n in (1, 2, 5, 20):
_, o_n, _ = refine_vmap(jnp.array(idx_a1.ubis), all_origins_a1,
compressed_a1["cen"], compressed_a1["hkl"],
compressed_a1["wave"], compressed_a1["kvec"],
mask_r, n, 1e-2, 1000.0)
_, o_p, _ = refine_vmap(jnp.array(idx_a1.ubis), all_origins_a1 + pert,
compressed_a1["cen"], compressed_a1["hkl"],
compressed_a1["wave"], compressed_a1["kvec"],
mask_r, n, 1e-2, 1000.0)
s = jnp.linalg.norm(o_n - o_p, axis=1)
print(n, "steps -> shift p50/max:",
float(jnp.percentile(s, 50)), float(s.max()))
mask_r peaks: 55368 of 55696
1 steps -> shift p50/max: 1.79067540225662e-05 3.296376306928707e-05
2 steps -> shift p50/max: 6.77860626695932e-08 2.1335900988843608e-07
5 steps -> shift p50/max: 8.66303763751726e-12 5.7802272735231704e-05
20 steps -> shift p50/max: 5.096634234285536e-11 5.780225867371253e-05
[26]:
fig, axs = plt.subplots(2,1,sharex=True,sharey=True)
axs[0].plot(all_losses_a1.T)
axs[1].plot(all_losses_a1.mean(axis=0), label='a1')
axs[0].set(yscale='log')
axs[1].set(yscale='log')
axs[0].set(title='Loss over all grains')
axs[1].set(xlabel='Epoch', ylabel='Loss',title='Mean loss')
plt.show()
Just \(K_{\alpha_{2}}\)#
[27]:
%%time
all_origins_a2 = jnp.zeros((len(idx_a2.ubis), 3))
# Pack the data into grain-specific buffers (num_grains, M, ...)
grain_ids_a2 = jnp.arange(len(idx_a2.ubis))
compressed_a2 = v_pack(grain_ids_a2, ga_a2, centroid_with_error[mask_a2], hkli_a2, wavelengths_a2[mask_a2], kvecs[mask_a2])
mask_r = compressed_a2["mask"]
for it in range(3):
ubis, origins, losses = refine_vmap(
jnp.array(idx_a2.ubis), all_origins_a2,
compressed_a2["cen"], compressed_a2["hkl"], compressed_a2["wave"],
compressed_a2["kvec"], mask_r,
5, 1e-2, 1000.0)
e = per_peak_err_vmap(ubis, origins, compressed_a2["cen"], compressed_a2["hkl"],
compressed_a2["wave"], compressed_a2["kvec"], mask_r)
med = jnp.nanmedian(jnp.where(mask_r, e, jnp.nan), axis=1)
keep = mask_r & (e < 4.0 * med[:, None])
print(f"iter {it}: dropped {int((mask_r & ~keep).sum())} peaks, "
f"min/grain now {int(keep.sum(axis=1).min())}")
mask_r = keep
ubis_fit_a2, origins_sample_fit_a2, all_losses_a2 = ubis, origins, losses
iter 0: dropped 309 peaks, min/grain now 110
iter 1: dropped 9 peaks, min/grain now 110
iter 2: dropped 0 peaks, min/grain now 110
CPU times: user 1.89 s, sys: 65.3 ms, total: 1.95 s
Wall time: 920 ms
Both \(K_{\alpha_{1}}\) and \(K_{\alpha_{2}}\)#
[28]:
%%time
all_origins_both = jnp.zeros((len(idx_both.ubis), 3))
centroids_both = jnp.concatenate([centroid_with_error[mask_a1], centroid_with_error[mask_a2]])
wavelengths_both = jnp.concatenate([wavelengths_a1[mask_a1], wavelengths_a2[mask_a2]])
kvecs_both = jnp.concatenate([kvecs[mask_a1], kvecs[mask_a2]])
# Pack the data into grain-specific buffers (num_grains, M, ...)
grain_ids_both = jnp.arange(len(idx_both.ubis))
compressed_both = v_pack(grain_ids_both, ga_both, centroids_both, hkli_both, wavelengths_both, kvecs_both)
mask_r = compressed_both["mask"]
for it in range(3):
ubis, origins, losses = refine_vmap(
jnp.array(idx_both.ubis), all_origins_both,
compressed_both["cen"], compressed_both["hkl"], compressed_both["wave"],
compressed_both["kvec"], mask_r,
5, 1e-2, 1000.0)
e = per_peak_err_vmap(ubis, origins, compressed_both["cen"], compressed_both["hkl"],
compressed_both["wave"], compressed_both["kvec"], mask_r)
med = jnp.nanmedian(jnp.where(mask_r, e, jnp.nan), axis=1)
keep = mask_r & (e < 4.0 * med[:, None])
print(f"iter {it}: dropped {int((mask_r & ~keep).sum())} peaks, "
f"min/grain now {int(keep.sum(axis=1).min())}")
mask_r = keep
ubis_fit_both, origins_sample_fit_both, all_losses_both = ubis, origins, losses
iter 0: dropped 638 peaks, min/grain now 223
iter 1: dropped 18 peaks, min/grain now 223
iter 2: dropped 5 peaks, min/grain now 223
CPU times: user 2.95 s, sys: 90.8 ms, total: 3.04 s
Wall time: 1.3 s
[29]:
fig, ax = plt.subplots()
ax.plot(all_losses_a1.mean(axis=0), label='a1')
ax.plot(all_losses_a2.mean(axis=0), label='a2')
ax.plot(all_losses_both.mean(axis=0), label='both')
ax.set(yscale='log')
ax.legend()
ax.set(xlabel='Epoch', ylabel='loss', title='Loss over all grains')
plt.show()
Match results to ground truth#
As the indexer returns UBIs in a different order, we need to match the refinement results to the ground-truth grains.
First, we make grain lists from the refined results.
Then, we map each of the grain lists (including the ground truth grains) into the fundamental zone by maximising traces.
Then we look for matches with a 6D translation-orientation feature vector \(k\)-d tree. This is highly biased towards orientations because they should more more reliable than translations.
[30]:
SYM = jnp.array(ROTATIONS[6]) # hexagonal crystal-frame ops
def cast_to_fundamental_zone(U, symmetry_ops):
best_U = U
max_trace = jnp.trace(U)
for S in symmetry_ops:
U_equiv = jnp.matmul(U, S)
current_trace = jnp.trace(U_equiv)
if current_trace > max_trace:
max_trace = current_trace
best_U = U_equiv
return best_U
def move_grains_to_fz(gl, sym_ops):
newgl = []
for g in gl:
best_U = cast_to_fundamental_zone(g.U, sym_ops)
new_UB = best_U @ g.B
new_UBI = jnp.linalg.inv(new_UB)
newg = ImageD11.grain.grain(new_UBI, translation=g.translation)
newg.ref_unitcell = ref_unitcell
newgl.append(newg)
return newgl
def match_grains(grains1, grains2, W=50, dist_tol=100):
"""Returns (distance, index into grains1, index into grains2), all same length."""
def desc(gl):
return jnp.column_stack([
jnp.array([jnp.asarray(g.translation) for g in gl]),
W * jnp.array([Rotation.from_matrix(jnp.asarray(g.U)).as_rotvec() for g in gl])])
d, m = scipy.spatial.cKDTree(desc(grains2)).query(desc(grains1), k=1,
distance_upper_bound=dist_tol)
valid = jnp.isfinite(d)
return d[valid], jnp.nonzero(valid)[0], m[valid]
@jax.jit
def gt_ubi_aligned(U_gt, U_fit, B):
"""GT UBI in the same symmetry setting as the fitted grain."""
M = U_fit.T @ U_gt
S = SYM[jnp.argmax(jnp.trace(M @ SYM, axis1=1, axis2=2))]
return jnp.linalg.inv((U_gt @ S) @ B)
@jax.jit
def loss_at_fixed_ubi(ubi, origin, cen, hkl, wave, kvec, mask):
"""Mean |dhkl| for a GIVEN ubi — no analytical UB refit."""
q = detector_to_q_vec(cen[:, 0], cen[:, 1], cen[:, 2], wave, kvec, origin)
d = (ubi @ q.T).T - hkl
e = jnp.sqrt(jnp.sum(d * d, axis=1) + 1e-24)
mf = mask.astype(e.dtype)
return jnp.sum(e * mf) / (jnp.sum(mf) + 1e-10) + 1e-10
gt_loss_vmap = jax.vmap(loss_at_fixed_ubi, in_axes=(0, 0, 0, 0, 0, 0, 0))
# ---------- refined grain lists ----------
grains_a1 = [ImageD11.grain.grain(ubis_fit_a1[g], translation=origins_sample_fit_a1[g]) for g in range(len(idx_a1.ubis))]
grains_a2 = [ImageD11.grain.grain(ubis_fit_a2[g], translation=origins_sample_fit_a2[g]) for g in range(len(idx_a2.ubis))]
grains_both = [ImageD11.grain.grain(ubis_fit_both[g], translation=origins_sample_fit_both[g]) for g in range(len(idx_both.ubis))]
oriens_a1 = jnp.stack([g.U for g in grains_a1])
oriens_a2 = jnp.stack([g.U for g in grains_a2])
oriens_both = jnp.stack([g.U for g in grains_both])
# ---------- match ----------
grains_fz = move_grains_to_fz(grains, ROTATIONS[6])
grains_a1_fz = move_grains_to_fz(grains_a1, ROTATIONS[6])
grains_a2_fz = move_grains_to_fz(grains_a2, ROTATIONS[6])
grains_both_fz = move_grains_to_fz(grains_both, ROTATIONS[6])
dist_a1, fit_a1, gt_a1 = match_grains(grains_a1_fz, grains_fz)
dist_a2, fit_a2, gt_a2 = match_grains(grains_a2_fz, grains_fz)
dist_both, fit_both, gt_both = match_grains(grains_both_fz, grains_fz)
for tag, fit, gt, n in [('a1', fit_a1, gt_a1, len(grains_a1)),
('a2', fit_a2, gt_a2, len(grains_a2)),
('both', fit_both, gt_both, len(grains_both))]:
print(f"{tag}: {len(fit)}/{n} matched, {len(gt) - len(jnp.unique(gt))} GT grains claimed twice")
# ---------- ground-truth losses ----------
def gt_losses(gt_idx, fit_idx, oriens, packed):
ubi_gt = jax.vmap(gt_ubi_aligned, in_axes=(0, 0, None))(
U_matrices[gt_idx], oriens[fit_idx], B)
return gt_loss_vmap(ubi_gt, translations_sample[gt_idx],
packed["cen"][fit_idx], packed["hkl"][fit_idx],
packed["wave"][fit_idx], packed["kvec"][fit_idx],
packed["mask"][fit_idx])
gt_losses_a1 = gt_losses(gt_a1, fit_a1, oriens_a1, compressed_a1)
gt_losses_a2 = gt_losses(gt_a2, fit_a2, oriens_a2, compressed_a2)
gt_losses_both = gt_losses(gt_both, fit_both, oriens_both, compressed_both)
# ---------- metrics ----------
pos_diff_a1 = jnp.linalg.norm(translations_sample[gt_a1] - origins_sample_fit_a1[fit_a1], axis=1)
pos_diff_a2 = jnp.linalg.norm(translations_sample[gt_a2] - origins_sample_fit_a2[fit_a2], axis=1)
pos_diff_both = jnp.linalg.norm(translations_sample[gt_both] - origins_sample_fit_both[fit_both], axis=1)
misorien_a1 = jnp.array([jnp.min(Umis(U_matrices[g], oriens_a1[f], 6)[:, 1]) for g, f in zip(gt_a1, fit_a1)])
misorien_a2 = jnp.array([jnp.min(Umis(U_matrices[g], oriens_a2[f], 6)[:, 1]) for g, f in zip(gt_a2, fit_a2)])
misorien_both = jnp.array([jnp.min(Umis(U_matrices[g], oriens_both[f], 6)[:, 1]) for g, f in zip(gt_both, fit_both)])
strains_a1 = jnp.array([grains_a1[f].eps_sample_matrix(lpars) for f in fit_a1])
strains_a2 = jnp.array([grains_a2[f].eps_sample_matrix(lpars) for f in fit_a2])
strains_both = jnp.array([grains_both[f].eps_sample_matrix(lpars) for f in fit_both])
strains_norm_a1 = jnp.sqrt((strains_a1**2).sum(axis=(1,2)))
strains_norm_a2 = jnp.sqrt((strains_a2**2).sum(axis=(1,2)))
strains_norm_both = jnp.sqrt((strains_both**2).sum(axis=(1,2)))
loss_diff_a1 = all_losses_a1[fit_a1, -1] - gt_losses_a1
loss_diff_a2 = all_losses_a2[fit_a2, -1] - gt_losses_a2
loss_diff_both = all_losses_both[fit_both, -1] - gt_losses_both
print("refined:", float(all_losses_a1[fit_a1, -1].mean()),
" ground truth:", float(gt_losses_a1.mean()))
a1: 450/450 matched, 0 GT grains claimed twice
a2: 450/450 matched, 0 GT grains claimed twice
both: 450/450 matched, 0 GT grains claimed twice
refined: 0.0009243591615042462 ground truth: 0.0009803399184363122
[31]:
fig, axs = plt.subplots(3,1,sharex=True,sharey=True,constrained_layout=True)
axs[0].hist(pos_diff_a1, bins=20)
axs[1].hist(pos_diff_a2, bins=20)
axs[2].hist(pos_diff_both, bins=20)
axs[0].set_title(r'Just $K_{\alpha_1}$')
axs[1].set_title(r'Just $K_{\alpha_2}$')
axs[2].set_title(r'$K_{\alpha_1}$ and $K_{\alpha_2}$')
fig.supxlabel(r'Position error to ground truth (μm)')
fig.supylabel('Counts')
plt.show()
[32]:
fig, axs = plt.subplots(3,1,sharex=True,sharey=True,constrained_layout=True)
axs[0].hist(strains_norm_a1*1e3, bins=20)
axs[1].hist(strains_norm_a2*1e3, bins=20)
axs[2].hist(strains_norm_both*1e3, bins=20)
axs[0].set_title(r'Just $K_{\alpha_1}$')
axs[1].set_title(r'Just $K_{\alpha_2}$')
axs[2].set_title(r'$K_{\alpha_1}$ and $K_{\alpha_2}$')
fig.supxlabel(r'Strain norm (should be 0) (x1e-3)')
fig.supylabel('Counts')
plt.show()
[33]:
fig, axs = plt.subplots(3,1,sharex=True,sharey=True,constrained_layout=True)
axs[0].hist(misorien_a1, bins=20)
axs[1].hist(misorien_a2, bins=20)
axs[2].hist(misorien_both, bins=20)
axs[0].set_title(r'Just $K_{\alpha_1}$')
axs[1].set_title(r'Just $K_{\alpha_2}$')
axs[2].set_title(r'$K_{\alpha_1}$ and $K_{\alpha_2}$')
fig.supxlabel('Misorientation to ground truth (deg)')
fig.supylabel('Counts')
plt.show()
[34]:
fig, axs = plt.subplots(3,1,sharex=True,sharey=True,constrained_layout=True)
axs[0].hist(all_losses_a1[fit_a1, -1], bins=20, alpha=0.5, label='refined')
axs[0].hist(gt_losses_a1, bins=20, alpha=0.5, label='ground truth')
axs[1].hist(all_losses_a2[fit_a2, -1], bins=20, alpha=0.5)
axs[1].hist(gt_losses_a2, bins=20, alpha=0.5)
axs[2].hist(all_losses_both[fit_both, -1], bins=20,alpha=0.5)
axs[2].hist(gt_losses_both, bins=20, alpha=0.5)
axs[0].legend()
axs[0].set_title(r'Just $K_{\alpha_1}$')
axs[1].set_title(r'Just $K_{\alpha_2}$')
axs[2].set_title(r'$K_{\alpha_1}$ and $K_{\alpha_2}$')
fig.supxlabel('Final loss function')
fig.supylabel('Counts')
plt.show()
[35]:
fig, axs = plt.subplots(3,1,sharex=True,sharey=True,constrained_layout=True)
axs[0].hist(loss_diff_a1, bins=20)
axs[1].hist(loss_diff_a2, bins=20)
axs[2].hist(loss_diff_both, bins=20)
axs[0].set_title(r'Just $K_{\alpha_1}$')
axs[1].set_title(r'Just $K_{\alpha_2}$')
axs[2].set_title(r'$K_{\alpha_1}$ and $K_{\alpha_2}$')
fig.supxlabel('Difference in loss function to ground truth')
fig.supylabel('Counts')
plt.show()
Statistics for paper#
[36]:
def print_grain_metrics(
pos_diff_a1, pos_diff_a2, pos_diff_both,
misorien_a1, misorien_a2, misorien_both,
strains_norm_a1, strains_norm_a2, strains_norm_both,
loss_diff_a1, loss_diff_a2, loss_diff_both
):
# Defining metrics with their specific scaling factors
# (Label, data1, data2, databoth, scale_factor, unit_label)
metrics = [
("Loss Diff", loss_diff_a1, loss_diff_a2, loss_diff_both, 1e6, "(x1e-6)"),
("Positional Diff", pos_diff_a1, pos_diff_a2, pos_diff_both, 1.0, ""),
("Misorientation", misorien_a1, misorien_a2, misorien_both, 1e3, "(x1e-3)"),
("Strain Norm", strains_norm_a1, strains_norm_a2, strains_norm_both, 1e4, "(x1e-4)"),
]
header = f"{'Metric':<25} | {'a1 Mean':<12} | {'a2 Mean':<12} | {'Both Mean':<12} | {'Comb. Frac':<12}"
print(header)
print("-" * len(header))
for label, d1, d2, db, scale, unit in metrics:
# Apply scaling and calculate means
m1 = jnp.mean(d1).item() * scale
m2 = jnp.mean(d2).item() * scale
mb = jnp.mean(db).item() * scale
m_avg_indiv = (m1 + m2) / 2
# The fraction remains the same regardless of scaling
fraction = mb / m_avg_indiv if m_avg_indiv != 0 else 0
full_label = f"{label} {unit}".strip()
print(f"{full_label:<25} | {m1:>12.6f} | {m2:>12.6f} | {mb:>12.6f} | {fraction:>12.4f}")
print_grain_metrics(
pos_diff_a1, pos_diff_a2, pos_diff_both,
misorien_a1, misorien_a2, misorien_both,
strains_norm_a1, strains_norm_a2, strains_norm_both,
loss_diff_a1, loss_diff_a2, loss_diff_both
)
Metric | a1 Mean | a2 Mean | Both Mean | Comb. Frac
-------------------------------------------------------------------------------------
Loss Diff (x1e-6) | -55.980757 | -57.307867 | -49.609162 | 0.8758
Positional Diff | 7.500727 | 8.292330 | 5.825173 | 0.7377
Misorientation (x1e-3) | 4.297788 | 4.757575 | 3.461893 | 0.7646
Strain Norm (x1e-4) | 0.928571 | 1.014685 | 0.748031 | 0.7699
[37]:
# total peaks (a1 and a2)
mask_a1.sum(), mask_a1.sum()*2, mask_a1.sum()/n_grains, mask_a1.sum()*2/n_grains
[37]:
(Array(55696, dtype=int64),
Array(111392, dtype=int64),
Array(123.76888889, dtype=float64),
Array(247.53777778, dtype=float64))
[38]:
p = jnp.asarray(pos_diff_a1)
print(f"median {jnp.median(p):.2f} p90 {jnp.percentile(p,90):.2f} "
f"p99 {jnp.percentile(p,99):.2f} max {p.max():.2f}")
median 7.11 p90 11.80 p99 18.46 max 20.94
Plots for paper#
[39]:
fig, ax = plt.subplots(figsize=(3.54, 3.54), layout='constrained')
ax.scatter(centroid_with_error[:mask_a1.sum()][:, 1], centroid_with_error[:mask_a1.sum()][:, 0], label=r'$K_{\alpha_{1}}$ peaks', s=.5)
ax.scatter(centroid_with_error[mask_a1.sum():][:, 1], centroid_with_error[mask_a1.sum():][:, 0], label=r'$K_{\alpha_{2}}$ peaks', s=.5)
ax.set_aspect(1)
ax.set(title='Dual-wavelength')
ax.set_xticks([])
ax.set_yticks([])
ax.legend(loc='upper right')
plt.show()
plt.savefig('dual_peaks.png', dpi=600)
<Figure size 640x480 with 0 Axes>
[40]:
end = time.time()
print(f'Took {end-start:.0f} seconds')
Took 34 seconds