Risø Conference Proceedings 2026 - lab source#
This notebook contains the accompanying processing code for the laboratory source (multi wavelength) 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 version uses ADAM as the optimizer. Recent work has shown that simpler gradient descent is often faster and more robust. Please see the Levenberg–Marquardt approach notebook for an example.
[1]:
import os
# don't hog GPU memory (if you have one)
os.environ["XLA_PYTHON_CLIENT_PREALLOCATE"] = "0"
import jax
jax.config.update("jax_enable_x64", True) # required for accuracy, especially strains
import jax.numpy as jnp
import optax
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 anri.crystal, anri.diffract, anri.geom, anri.fwd
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]:
struc = anri.crystal.Structure.from_cif("../../../tests/data/cif/Ti.cif")
struc.lattice_parameters
[3]:
(2.93573192, 2.93573192, 4.64085615, 90.0, 90.0, 120.0)
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]:
struc.make_hkls(dsmax=1.0, wavelength=k_alpha_1_A)
struc.rings_table
[4]:
shape: (106, 7)
| h | k | l | tth | ds | intensity | ring_id |
|---|---|---|---|---|---|---|
| i64 | i64 | i64 | f64 | f64 | f64 | u32 |
| 1 | 0 | 0 | 11.560843 | 0.393326 | 260.787751 | 0 |
| -1 | 0 | 0 | 11.560843 | 0.393326 | 260.787751 | 0 |
| 0 | 1 | 0 | 11.560843 | 0.393326 | 260.787751 | 0 |
| 0 | -1 | 0 | 11.560843 | 0.393326 | 260.787751 | 0 |
| 1 | -1 | 0 | 11.560843 | 0.393326 | 260.787808 | 0 |
| … | … | … | … | … | … | … |
| -1 | 0 | -4 | 28.079839 | 0.947415 | 90.870043 | 11 |
| -1 | 0 | 4 | 28.079839 | 0.947415 | 90.870043 | 11 |
| 0 | 1 | 4 | 28.079839 | 0.947415 | 90.870043 | 11 |
| 0 | 1 | -4 | 28.079839 | 0.947415 | 90.870043 | 11 |
| 0 | -1 | 4 | 28.079839 | 0.947415 | 90.870043 | 11 |
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 @ struc.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(struc.lattice_parameters, symmetry=struc.sgno)
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
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
# Get change-of-basis parameters to go from lab to detector space:
det_trans, beam_cen_shift, x_distance_shift = anri.geom.detector_transforms(
y_center,
y_size,
tilt_y,
z_center,
z_size,
tilt_z,
tilt_x,
distance,
o11,
o12,
o21,
o22
)
# Get detector unit vectors (slow, fast directions) in lab frame:
sc_lab, fc_lab, norm_lab = anri.geom.detector_basis_vectors_lab(det_trans, beam_cen_shift, x_distance_shift)
[8]:
# we get plus/minus Friedel pairs
# 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_p, valid_a1_p = anri.fwd.get_centroid_box_all(UBI_matrices, translations_sample,
struc.ringhkls_arr,
1.0, k_alpha_1_A, k_in_lab_hat, 0, 0,
wedge, chi,
sc_lab, fc_lab, norm_lab)
centroid_a1_m, valid_a1_m = anri.fwd.get_centroid_box_all(UBI_matrices, translations_sample,
struc.ringhkls_arr,
-1.0, k_alpha_1_A, k_in_lab_hat, 0, 0,
wedge, chi,
sc_lab, fc_lab, norm_lab)
centroid_a2_p, valid_a2_p = anri.fwd.get_centroid_box_all(UBI_matrices, translations_sample,
struc.ringhkls_arr,
1.0, k_alpha_2_A, k_in_lab_hat, 0, 0,
wedge, chi,
sc_lab, fc_lab, norm_lab)
centroid_a2_m, valid_a2_m = anri.fwd.get_centroid_box_all(UBI_matrices, translations_sample,
struc.ringhkls_arr,
-1.0, k_alpha_2_A, k_in_lab_hat, 0, 0,
wedge, chi,
sc_lab, fc_lab, norm_lab)
# join Friedel pairs into single datasets:
centroid_a1 = jnp.concatenate([centroid_a1_p[valid_a1_p], centroid_a1_m[valid_a1_m]])
centroid_a2 = jnp.concatenate([centroid_a2_p[valid_a2_p], centroid_a2_m[valid_a2_m]])
# flatten into (N, 3)
centroid_a1 = centroid_a1.reshape(-1, 3)
centroid_a2 = centroid_a2.reshape(-1, 3)
# 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.det_to_lab(slow, fast, det_trans, beam_cen_shift, x_distance_shift)
# rotate origin into sample frame
origin_lab = anri.geom.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.peak_lab_to_k_out(peak_lab, origin_lab, wavelength)
# normalise k_in by wavelength
k_in_lab_norm = anri.diffract.scale_norm_k(k_in_lab_hat, wavelength)
# simply q = k_out - k_in
q_lab = anri.diffract.k_to_q_lab(k_in_lab_norm, k_out_lab_norm)
# rotate into sample frame
q_sample = anri.geom.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=(55707, 3), dtype=float64) (55707, 3) float64
info: Assign to rings, maximum d-spacing considered: 0.949511
info: Ring assignment array shape (55707,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( -1, 0, -4) 12 646 0 646 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 4338 0 4338 N/A N/A -48.14
info: Ring 7 ( -2, 1, -2) 12 4710 0 4710 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 7074 0 7074 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 ( -1, 0, -2) 12 10693 0 10693 N/A N/A -33.92
info: Ring 2 ( -1, 0, -1) 12 10748 0 10748 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 5374 0 5374 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 (55707, 3)
info: Assign to rings, maximum d-spacing considered: 0.949511
info: Ring assignment array shape (55707,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( -1, 0, -4) 12 646 0 646 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 4338 0 4338 N/A N/A -48.14
info: Ring 7 ( -2, 1, -2) 12 4710 0 4710 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 7074 0 7074 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 ( -1, 0, -2) 12 10693 0 10693 N/A N/A -33.92
info: Ring 2 ( -1, 0, -1) 12 10748 0 10748 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 5374 0 5374 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 (55707, 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 0.000723 /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 0.002980 /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 0.001442 /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 0.006160 /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 1418
info: Time taken 0.005337 /s
info: Scoring 1418 potential orientations
info: new grain 149 pks, i 49697 j 26602 UBI 0.236274 -2.810778 0.810982 -1.950308 1.752364 1.321955 -3.197732 -1.180732 -3.152577
info: new grain 142 pks, i 49695 j 54448 UBI 2.083395 1.484774 1.442500 -2.832500 0.526981 0.558853 0.042906 -3.264587 3.299352
info: new grain 124 pks, i 49683 j 54334 UBI -0.316275 2.918746 -0.006621 1.917217 -1.272926 -1.822339 -3.311711 -0.364272 -3.230639
info: new grain 149 pks, i 49682 j 26597 UBI 2.720335 0.884299 0.659639 -2.315455 1.341546 1.209625 0.115949 -2.995637 3.543485
info: new grain 154 pks, i 49671 j 54265 UBI 0.414562 -2.676061 1.135921 1.740635 2.221278 0.807287 -2.912745 1.019757 3.464588
info: new grain 139 pks, i 49670 j 54438 UBI -2.512786 -0.915502 -1.208650 1.239748 2.502753 -0.908034 2.397668 -2.348266 -3.206983
info: new grain 141 pks, i 49666 j 26590 UBI -2.705799 -0.408701 -1.062027 0.498109 2.113770 1.977154 0.893230 2.997106 -3.428344
info: new grain 148 pks, i 49661 j 54324 UBI -0.408392 2.874136 0.434886 1.820689 -0.921226 -2.111121 -3.522258 -0.042059 -3.021876
info: new grain 126 pks, i 49658 j 54433 UBI 0.572293 2.198252 -1.860552 -2.183153 0.253602 1.946967 2.954438 1.830940 3.075067
info: new grain 127 pks, i 49656 j 26475 UBI 1.501685 -2.047866 1.473270 -2.070180 -0.797039 -1.922899 3.178544 -0.101464 -3.380177
info: new grain 135 pks, i 49655 j 26584 UBI 2.111029 -1.771666 -1.013406 0.544481 1.787952 2.265120 -1.368143 -3.314244 2.944880
info: new grain 150 pks, i 49654 j 54430 UBI -2.346171 -0.136593 -1.758195 0.311860 -1.935842 2.185176 -2.305006 2.845372 2.852575
info: new grain 139 pks, i 49653 j 54429 UBI -1.321870 -1.964684 1.735501 1.859657 -0.900678 -2.084765 3.519774 0.290351 3.011249
info: new grain 142 pks, i 49648 j 26471 UBI 2.268400 -1.849387 0.222935 -2.044698 -0.427662 -2.063109 2.431324 2.627585 -2.952947
info: new grain 145 pks, i 49640 j 54425 UBI -2.873892 -0.373619 0.466468 1.464472 -1.878293 -1.715766 0.943784 -2.640072 3.698836
info: new grain 134 pks, i 49639 j 54424 UBI -1.824329 -1.847660 1.368008 2.880205 -0.098244 0.558973 -0.559231 3.085701 3.422486
info: new grain 133 pks, i 49636 j 26464 UBI 1.055834 2.664778 -0.638020 -1.722501 -0.372703 2.346993 3.739760 -0.858672 2.609590
info: new grain 149 pks, i 49635 j 54309 UBI -1.933472 1.863214 1.188038 2.090253 1.003646 -1.798848 -2.823714 -0.618963 -3.631991
info: new grain 136 pks, i 49632 j 54418 UBI -2.885506 0.153787 0.519524 1.854236 1.719917 1.490657 -0.410857 3.275884 -3.262870
info: new grain 137 pks, i 49629 j 26460 UBI 0.840934 -2.413169 1.446068 1.199400 2.597191 0.656385 -3.320592 0.735348 3.157412
info: new grain 137 pks, i 49627 j 54416 UBI 2.742532 -0.901132 -0.526431 -1.244306 2.006840 -1.742840 1.635004 3.382712 2.726673
info: new grain 132 pks, i 49626 j 54415 UBI -2.834863 0.052443 0.759721 1.940558 1.646713 1.459894 -0.730572 3.493606 -2.969888
info: new grain 128 pks, i 49625 j 26567 UBI 0.787098 2.085897 -1.910313 1.858163 -0.829312 2.116499 1.759886 -3.243059 -2.814792
info: new grain 132 pks, i 49622 j 54412 UBI -2.571230 -1.194750 0.754209 0.151172 1.834975 -2.288439 0.840689 -3.587279 -2.821033
info: new grain 135 pks, i 49619 j 26453 UBI 2.283681 1.034572 1.528622 -1.060479 -2.675088 0.575659 2.913907 -1.825679 -3.117707
info: new grain 153 pks, i 49618 j 54298 UBI 2.009000 -1.926159 0.937821 -0.366460 2.544206 1.413182 -3.180229 -1.982118 2.741446
info: new grain 142 pks, i 49613 j 54407 UBI -2.922074 0.100013 0.262677 1.694956 1.467099 1.893986 -0.121900 3.718497 -2.775281
info: new grain 122 pks, i 49606 j 54402 UBI 2.915173 -0.352680 -0.010881 -1.674951 -1.569981 -1.829330 0.390865 3.325577 -3.212478
info: new grain 134 pks, i 49605 j 26554 UBI 1.854843 1.795248 -1.397363 0.911908 -1.520586 2.339741 1.290097 -3.491092 -2.773554
info: new grain 133 pks, i 49601 j 26441 UBI -0.791906 -2.654205 0.975315 1.683576 0.244291 -2.393263 3.800212 -0.155778 2.657923
info: new grain 133 pks, i 49596 j 54395 UBI 2.499397 0.280616 1.512107 -0.453526 1.624654 -2.403636 -1.948187 3.311457 2.605166
info: new grain 132 pks, i 49595 j 54283 UBI -1.395699 2.139889 1.442217 2.648283 -0.891501 0.902736 2.000693 3.162292 -2.745520
info: new grain 133 pks, i 49592 j 26436 UBI -1.773776 -1.242728 1.982675 -1.137159 1.524508 -2.236612 -0.152165 -3.867747 -2.559542
info: new grain 147 pks, i 49590 j 54393 UBI -2.714459 1.102441 -0.186807 1.969285 1.240961 1.790839 1.370214 2.790573 -3.445352
info: new grain 130 pks, i 49567 j 54274 UBI -2.229773 1.854821 0.454734 2.419638 0.180750 1.651885 1.853811 2.974715 -3.042377
info: new grain 142 pks, i 49566 j 54273 UBI 2.553857 1.217937 0.783829 -0.052985 -2.114161 -2.035338 -0.512243 3.207916 -3.314830
info: new grain 128 pks, i 49563 j 26537 UBI -0.013683 2.659369 -1.243511 1.680298 -0.511604 2.352218 3.493781 -1.278884 -2.774014
info: new grain 135 pks, i 49558 j 26535 UBI -0.284876 2.487862 -1.534760 -1.723987 -2.298387 -0.597587 -3.115513 1.539319 3.075919
info: new grain 131 pks, i 49556 j 26422 UBI -1.120506 2.622445 0.696021 2.309815 -1.049279 1.478926 2.865385 2.028977 -3.034455
info: new grain 139 pks, i 49555 j 26421 UBI 0.642952 -2.729056 0.870656 -2.190130 1.472742 1.285961 -2.977522 -1.699219 -3.126242
info: new grain 128 pks, i 49554 j 26420 UBI 2.782343 -0.934966 0.069466 -0.751959 2.240696 -1.740351 0.916486 2.980497 3.438559
info: new grain 140 pks, i 49548 j 54262 UBI 0.481280 2.706500 -1.030485 1.397563 -0.922458 2.410299 3.469300 -1.617244 -2.626998
info: new grain 152 pks, i 49546 j 26415 UBI -2.562606 -0.640945 1.281584 0.886082 -1.524437 -2.345938 2.144109 -3.031003 2.780576
info: new grain 132 pks, i 49543 j 26524 UBI -2.925353 -0.193373 -0.147222 1.671847 -1.829371 -1.572842 0.020543 -3.014605 3.528938
info: new grain 129 pks, i 49539 j 54369 UBI 2.161164 -0.572477 -1.902802 -0.504238 -1.827886 2.241450 -2.959832 -2.415634 -2.634311
info: new grain 132 pks, i 49526 j 26407 UBI 2.876240 -0.083130 -0.574776 -1.068119 2.001693 1.864239 0.621014 -2.952773 3.527310
info: new grain 150 pks, i 49524 j 54252 UBI 2.018415 0.586188 -2.050065 0.530563 -2.043165 2.038502 -1.861163 -3.235921 -2.758541
info: new grain 157 pks, i 49523 j 54363 UBI 2.369588 -1.584917 -0.705740 -2.564929 -0.526065 -1.324598 1.074156 3.075747 -3.304730
info: new grain 144 pks, i 49517 j 54359 UBI -2.561425 -1.340106 -0.514096 2.432245 -0.903162 -1.374448 0.852432 -2.966470 3.465630
info: new grain 128 pks, i 49514 j 26511 UBI 2.367701 1.578295 -0.720713 -2.452120 0.214173 -1.602354 -1.476095 3.457249 2.721706
info: new grain 131 pks, i 49511 j 26399 UBI -2.353208 -1.650514 -0.599803 2.424861 -0.248829 -1.637498 1.587262 -3.298121 2.851456
info: new grain 145 pks, i 49510 j 54244 UBI 0.380490 -2.889904 -0.361028 -2.072522 1.408643 -1.527478 3.059907 0.830227 -3.387751
info: new grain 140 pks, i 49508 j 26397 UBI -0.897675 2.073872 -1.874191 2.684037 -1.158936 -0.268839 -1.699297 -3.275246 -2.813873
info: new grain 144 pks, i 49507 j 26396 UBI 1.267163 -2.355980 1.211253 -2.803116 0.631759 0.602380 -1.356043 -2.584629 -3.606652
info: new grain 146 pks, i 49506 j 26395 UBI 2.353939 -1.503994 0.902034 -2.666231 -0.707639 1.004312 -0.542889 -2.964562 -3.528487
info: new grain 132 pks, i 49505 j 54240 UBI 2.271521 -0.231530 1.844289 -2.426424 -1.585521 0.458045 1.751475 -3.428697 -2.590759
info: new grain 139 pks, i 49502 j 54238 UBI -1.946344 1.327230 -1.752343 1.224477 1.479429 2.220333 3.443674 1.353983 -2.801718
info: new grain 145 pks, i 49494 j 54236 UBI -1.883772 -2.230754 0.316487 2.150719 -0.166431 -1.990631 2.794934 -1.907615 3.176365
info: new grain 136 pks, i 49491 j 54235 UBI -0.904501 -2.630915 0.937325 2.630516 1.020049 0.808394 -1.916311 1.988561 3.730645
info: new grain 134 pks, i 49490 j 26388 UBI 2.508045 1.327187 0.758160 -1.857303 1.318146 -1.852148 -2.149423 2.012642 3.586422
info: new grain 149 pks, i 49485 j 54344 UBI 2.625949 -0.685965 1.120657 -1.258695 2.564347 0.673626 -2.074184 -1.978903 3.650753
info: new grain 149 pks, i 49481 j 26385 UBI 1.465357 2.505019 -0.448141 0.478779 -2.313760 -1.742692 -3.358457 1.453081 -2.854008
info: new grain 142 pks, i 49478 j 26384 UBI -2.520636 0.385288 -1.456603 2.323374 1.685114 -0.616385 1.376298 -3.069118 -3.194878
info: new grain 135 pks, i 49464 j 26405 UBI -2.920974 -0.082766 -0.263855 1.267134 2.091085 1.627243 0.257252 2.742566 -3.734992
info: new grain 140 pks, i 49455 j 26600 UBI 0.336793 -2.570968 -1.375494 -2.121699 0.325235 2.002488 -2.923680 1.394958 -3.323255
info: new grain 144 pks, i 49446 j 26485 UBI 2.693204 -0.450037 -1.082074 -2.180651 -1.844888 -0.675572 -1.052487 2.598220 -3.697818
info: new grain 137 pks, i 49419 j 26550 UBI 2.412608 1.650106 -0.292596 -1.874775 0.513539 2.198710 2.352725 -2.953919 2.696620
info: new grain 143 pks, i 49401 j 26572 UBI -2.680062 -0.793782 -0.898940 0.309312 2.149222 1.976078 0.226005 3.119950 -3.427985
info: new grain 129 pks, i 49376 j 54292 UBI -0.962251 2.097601 1.814456 2.719116 -1.066552 0.299275 1.594293 3.245328 -2.909250
info: new grain 133 pks, i 49366 j 26549 UBI 2.340565 1.049973 1.428476 0.277281 -2.339084 -1.751781 0.934473 2.795073 -3.584215
info: new grain 139 pks, i 49341 j 54389 UBI -2.748807 -0.866577 0.547906 0.506953 2.105716 -1.980540 0.356530 -3.219289 -3.327526
info: new grain 142 pks, i 49313 j 26414 UBI 1.005352 1.996758 -1.901194 1.709936 -0.922425 2.201346 1.639864 -3.398782 -2.702182
info: new grain 146 pks, i 49236 j 26603 UBI -2.647718 0.451659 -1.182368 1.186682 2.027790 1.762664 1.985302 2.028926 -3.671033
info: new grain 155 pks, i 49226 j 26599 UBI -2.607822 -0.390849 -1.293902 0.203671 1.639538 2.425192 0.730473 3.768811 -2.608476
info: new grain 138 pks, i 49219 j 54330 UBI 0.438541 -2.810064 -0.731018 -2.119362 1.547704 -1.318682 3.002083 1.320494 -3.281463
info: new grain 129 pks, i 49218 j 54329 UBI -0.965742 2.758463 -0.274724 -0.949141 -1.671996 2.218588 3.520788 1.494343 2.628089
info: new grain 137 pks, i 49209 j 54439 UBI 0.633142 2.826781 0.480467 1.365129 -1.467890 -2.145077 -3.332244 1.251898 -2.977815
info: new grain 127 pks, i 49197 j 26479 UBI -2.822620 0.501950 0.630362 2.095689 1.634133 1.247416 -0.250993 3.011152 -3.523434
info: new grain 130 pks, i 49196 j 54434 UBI -1.494601 1.656371 1.910457 -0.217895 -2.924739 0.109009 3.584118 -0.158842 2.943004
info: new grain 138 pks, i 49187 j 54427 UBI 2.526530 1.055082 -1.059104 -2.547364 1.236295 -0.776321 0.306219 2.897025 3.612544
info: new grain 141 pks, i 49186 j 54315 UBI -1.654526 2.425046 0.107878 2.383522 -0.073830 -1.710042 -2.571703 -1.597907 -3.515479
info: new grain 139 pks, i 49166 j 54411 UBI 2.741183 1.042810 -0.136105 -1.784561 0.841695 2.173942 1.481831 -3.552605 2.591715
info: new grain 116 pks, i 49155 j 54406 UBI 1.584851 2.471449 0.018847 -2.187654 -0.356026 1.925310 2.962546 -1.922273 3.010556
info: new grain 138 pks, i 49152 j 26557 UBI -0.465644 2.512822 1.444428 2.200497 -0.195961 -1.933994 -2.844982 1.418329 -3.381716
info: new grain 137 pks, i 49145 j 26443 UBI 0.074510 -2.822406 -0.804806 1.661274 1.971613 -1.404732 3.449899 -0.765881 3.007118
info: new grain 150 pks, i 49123 j 26544 UBI -2.698767 -0.615962 -0.981942 0.350626 1.784030 2.303773 0.206260 3.649482 -2.857606
info: new grain 134 pks, i 49118 j 26432 UBI 1.230561 2.159044 -1.562653 -2.022091 0.628733 2.034171 3.340301 0.409381 3.195457
info: new grain 139 pks, i 49100 j 54383 UBI -2.863353 0.245425 -0.590354 0.901891 -1.723970 2.199292 -0.297696 3.586725 2.931263
info: new grain 148 pks, i 49088 j 54264 UBI -1.917386 2.095842 -0.738524 -0.315523 -2.720601 -1.062186 -2.636159 -1.121318 3.650843
info: new grain 138 pks, i 49086 j 26528 UBI 0.272735 -2.909727 0.270714 1.847214 1.492520 -1.726385 2.872466 0.604783 3.594702
info: new grain 140 pks, i 49077 j 54370 UBI 1.762211 2.338925 -0.199358 0.629743 -2.155379 1.890937 2.483478 -2.150724 -3.278238
info: new grain 140 pks, i 49065 j 54367 UBI 2.298798 -1.037981 -1.502656 -1.159611 -1.581240 2.184102 -2.886357 -2.038840 -3.008300
info: new grain 136 pks, i 49051 j 26513 UBI -1.836505 -2.244655 -0.457092 -0.499532 1.880670 2.197557 -2.532824 2.652047 -2.844931
info: new grain 136 pks, i 49032 j 54351 UBI -0.423278 -2.755095 -0.923112 1.599055 0.512155 2.407074 -3.830755 -0.283461 2.606017
info: new grain 148 pks, i 49029 j 54237 UBI -2.223495 1.186566 1.507520 0.856152 -2.749858 0.567464 2.993644 1.583081 3.171864
info: new grain 143 pks, i 49015 j 54233 UBI 2.906097 -0.406155 -0.088261 -1.219292 2.204566 -1.507684 0.502188 2.786958 3.675189
info: new grain 119 pks, i 49007 j 26495 UBI -2.798430 -0.886712 0.000796 1.887624 -1.097867 1.962286 -1.081566 3.414386 2.950812
info: new grain 146 pks, i 48984 j 54332 UBI -1.753941 -2.330804 0.327407 2.512687 0.168496 1.508753 -2.220651 2.157796 3.456982
info: new grain 147 pks, i 48711 j 26466 UBI -1.934846 -1.917101 -1.097374 -0.741685 1.691417 2.282004 -1.564665 3.251457 -2.916991
info: new grain 124 pks, i 48709 j 54422 UBI -2.460527 0.535567 -1.508942 1.359957 -2.586611 -0.280072 -2.520145 -1.704418 3.504435
info: Number of orientations with more than 80 peaks is 100
info: Time taken 0.079/s
info: UBI for best fitting
[[ 2.36958777 -1.584917 -0.70574003]
[-2.56492944 -0.52606486 -1.32459826]
[ 1.07415605 3.07574711 -3.30472984]]
info: Unit cell: (2.9368311287045685, 2.9343087451196896, 4.640611045464906, 89.98206501505483, 89.98829892797967, 120.00345214244753)
info: Indexes 158 peaks, with <drlv2>=0.007618
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 42223
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: 48
info: Number of peaks in ring 2: 1973
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 48
info: Time taken 0.000207 /s
info: Scoring 48 potential orientations
info: new grain 129 pks, i 54413 j 21323 UBI -2.132324 1.835854 0.836913 1.947617 0.840579 -2.028928 -2.753476 -1.677349 -3.338138
info: new grain 134 pks, i 54399 j 48672 UBI -2.309708 1.619123 0.817109 2.682442 0.658783 0.995943 0.667228 2.792626 -3.645859
info: new grain 138 pks, i 54388 j 49112 UBI -1.490224 -2.390348 0.826331 -1.190481 1.883359 -1.910050 1.871307 -2.382830 -3.516426
info: new grain 146 pks, i 54387 j 20801 UBI 2.631443 -0.241055 1.279643 -0.310023 1.624250 -2.425393 -0.928890 3.723637 2.611626
info: new grain 137 pks, i 54381 j 48640 UBI 2.875019 0.586830 0.112144 -1.123398 -2.154505 1.647883 0.750580 -3.020640 -3.440845
info: new grain 140 pks, i 54368 j 48396 UBI -1.645978 2.010273 -1.365985 -0.517855 -2.860050 -0.428194 -2.959365 0.003763 3.571438
info: new grain 131 pks, i 54366 j 48613 UBI -2.898695 0.391710 0.237723 1.313127 -2.169014 1.480591 0.680748 2.860856 3.589472
info: new grain 133 pks, i 54362 j 21208 UBI 1.859143 -2.250419 -0.313426 -2.349324 -0.269467 1.737761 -2.483582 -1.553585 -3.600607
info: new grain 140 pks, i 54361 j 20751 UBI 1.843359 -1.963923 1.167040 -2.216736 -0.897863 -1.702705 2.731810 0.341595 -3.736793
info: new grain 136 pks, i 54294 j 20616 UBI -2.580155 0.346697 -1.357258 0.899264 1.982744 1.969826 2.096911 2.400653 -3.371874
info: Number of orientations with more than 80 peaks is 110
info: Time taken 0.009/s
info: UBI for best fitting
[[ 2.36958777 -1.584917 -0.70574003]
[-2.56492944 -0.52606486 -1.32459826]
[ 1.07415605 3.07574711 -3.30472984]]
info: Unit cell: (2.9368311287045685, 2.9343087451196896, 4.640611045464906, 89.98206501505483, 89.98829892797967, 120.00345214244753)
info: Indexes 158 peaks, with <drlv2>=0.007618
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 40923
info: Tried r1=9 r2=6 attempt 2 of 144, got 110 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: 3935
info: Number of peaks in ring 2: 10
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 74
info: Time taken 0.004505 /s
info: Scoring 74 potential orientations
info: new grain 128 pks, i 44638 j 54408 UBI 1.928679 1.448610 1.674609 0.918235 -2.160345 -1.762593 0.663419 3.069334 -3.417081
info: new grain 131 pks, i 44572 j 26545 UBI 2.305823 -0.099741 -1.812747 -0.593782 -2.284661 1.748057 -2.679665 -1.840735 -3.310463
info: new grain 141 pks, i 44345 j 54340 UBI 1.759844 -2.274411 0.591201 0.949529 2.184909 -1.713364 1.620902 2.225261 3.739061
info: Number of orientations with more than 80 peaks is 113
info: Time taken 0.004/s
info: UBI for best fitting
[[ 2.36958777 -1.584917 -0.70574003]
[-2.56492944 -0.52606486 -1.32459826]
[ 1.07415605 3.07574711 -3.30472984]]
info: Unit cell: (2.9368311287045685, 2.9343087451196896, 4.640611045464906, 89.98206501505483, 89.98829892797967, 120.00345214244753)
info: Indexes 158 peaks, with <drlv2>=0.007618
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 40543
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: 1885
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1170
info: Time taken 0.005122 /s
info: Scoring 1170 potential orientations
info: new grain 144 pks, i 31422 j 20918 UBI 1.471535 2.029857 1.525833 -2.374339 -1.277461 1.164183 2.681550 -3.318582 1.826724
info: new grain 141 pks, i 31418 j 49471 UBI -0.160099 -1.739689 -2.359869 0.932922 -1.084748 2.563288 -4.363976 -1.112442 1.117068
info: new grain 149 pks, i 31417 j 21857 UBI -1.434590 0.989393 2.361747 2.867963 -0.603500 0.170646 0.995090 4.365412 -1.224638
info: new grain 137 pks, i 31413 j 48759 UBI 1.411313 0.205556 -2.566485 0.931673 1.543400 2.315912 2.763838 -3.520591 1.235699
info: new grain 136 pks, i 31411 j 49699 UBI 1.395502 -0.150468 2.579406 -2.352970 1.729564 -0.296419 -2.745545 -3.518073 1.280244
info: new grain 144 pks, i 31409 j 21620 UBI 2.191456 -1.046531 1.648590 -2.670446 0.360568 1.164989 -1.132931 -4.326053 -1.248048
info: new grain 136 pks, i 31407 j 48999 UBI 1.689047 -2.140497 -1.090340 0.697097 1.260985 2.557388 -2.548815 -3.158771 2.250359
info: new grain 145 pks, i 31406 j 21152 UBI -0.492254 1.188240 2.639593 0.570339 1.726517 -2.304440 -4.536988 0.233171 -0.949902
info: new grain 135 pks, i 31404 j 48997 UBI -1.607439 -0.042765 2.456373 -0.970329 1.444300 -2.363820 -2.142843 -3.846036 -1.469724
info: new grain 132 pks, i 31403 j 48753 UBI 0.225585 -1.519350 -2.502588 0.729729 2.842062 0.061998 4.364757 -1.143344 1.086502
info: new grain 132 pks, i 31402 j 21846 UBI 1.260852 -0.923849 -2.484542 1.522667 -0.009203 2.510031 -1.455068 -4.320958 0.867948
info: new grain 122 pks, i 31401 j 21150 UBI 1.011441 -0.828764 2.627694 1.315016 -0.953450 -2.446484 2.818455 3.686240 0.077820
info: new grain 127 pks, i 31399 j 48995 UBI 0.728981 -1.663262 -2.306545 0.403792 -1.012581 2.726364 -4.270967 -1.814022 -0.042073
info: new grain 135 pks, i 31398 j 21385 UBI -1.873313 -1.398940 1.774992 -0.792635 0.651989 -2.749829 1.674125 -4.079748 -1.451135
info: new grain 144 pks, i 31396 j 21843 UBI 2.286336 -0.225003 1.823500 0.443705 0.115329 -2.899451 0.275501 4.628351 0.227551
info: new grain 131 pks, i 31393 j 21842 UBI 1.684625 -1.016303 2.177809 -2.184047 1.873371 0.585629 -2.907093 -3.569945 0.582888
info: new grain 132 pks, i 31389 j 20900 UBI 1.943385 0.184822 2.193631 -2.680925 -1.086624 0.501628 1.537762 -4.260058 -1.004016
info: new grain 130 pks, i 31388 j 21381 UBI 0.442974 -2.895778 -0.183841 -2.435487 1.187058 -1.130249 2.170717 0.588687 -4.059649
info: new grain 138 pks, i 31384 j 21840 UBI 1.570466 -1.553680 1.934297 0.232593 -0.565786 -2.871134 3.454950 3.081325 -0.327136
info: new grain 166 pks, i 31383 j 21839 UBI -1.128236 1.023203 -2.508998 0.839544 -2.807654 0.195729 -4.254081 -1.170580 1.435283
info: new grain 140 pks, i 31382 j 49222 UBI -1.111418 0.859611 2.575855 -0.973635 1.206486 -2.491610 -3.266967 -3.283551 -0.318891
info: new grain 127 pks, i 31376 j 20895 UBI -0.731661 2.366879 1.575384 1.494783 0.311798 -2.506993 -3.994492 0.322552 -2.340402
info: new grain 135 pks, i 31372 j 49677 UBI 0.355380 2.523557 -1.457806 -0.850472 -2.416348 -1.435327 -4.438096 1.088934 0.801437
info: new grain 137 pks, i 31371 j 48738 UBI -1.900337 -0.731537 -2.113173 2.647315 1.051028 -0.708799 1.703984 -4.317113 -0.038602
info: new grain 141 pks, i 31369 j 21371 UBI -1.680499 -1.731424 -1.669063 -0.386643 0.058555 2.910225 -3.076299 3.442935 -0.477187
info: new grain 132 pks, i 31367 j 49675 UBI 1.602295 1.241861 -2.123450 1.186140 -0.482675 2.641500 1.401135 -4.198340 -1.395995
info: new grain 146 pks, i 31366 j 49674 UBI 1.317753 1.762553 1.942584 1.327800 -0.641476 -2.538327 -2.010796 3.685776 -1.980798
info: new grain 150 pks, i 31365 j 20670 UBI -1.642336 0.490203 2.385549 -1.201784 0.177134 -2.673265 -1.074185 -4.508927 0.185668
info: new grain 136 pks, i 31363 j 49213 UBI -1.114603 2.329880 -1.396951 1.166580 0.312372 2.675889 4.146386 0.841187 -1.905912
info: new grain 141 pks, i 31362 j 21827 UBI -0.190753 2.159408 -1.979135 1.165297 0.528991 2.641851 4.198907 -1.123578 -1.629953
info: new grain 140 pks, i 31361 j 49672 UBI 2.527919 -1.430319 -0.430862 -1.614229 -0.560995 2.386926 -2.271032 -3.318024 -2.315429
info: new grain 143 pks, i 31358 j 48735 UBI -1.178773 0.095959 2.686883 -1.728895 0.146408 -2.367521 -0.384220 -4.626235 -0.004323
info: new grain 147 pks, i 31356 j 48513 UBI 1.719524 1.511561 1.841114 -1.245374 -2.510231 0.877252 3.697321 -2.363450 -1.509469
info: new grain 134 pks, i 31355 j 48512 UBI 1.521166 -0.451979 -2.469979 1.259231 -0.481422 2.607953 -1.470950 -4.400490 -0.102119
info: new grain 136 pks, i 31353 j 49206 UBI -0.237661 -2.230745 -1.891972 0.817885 2.652708 -0.955236 4.447624 -1.100916 0.741812
info: new grain 140 pks, i 31352 j 21122 UBI 2.056046 -1.891485 -0.903680 -1.217285 -0.313049 2.652256 -3.294475 -2.705850 -1.836633
info: new grain 136 pks, i 31351 j 49669 UBI 1.548820 -2.110856 1.326773 -1.756054 1.746910 1.579209 -3.511864 -2.968239 -0.623475
info: new grain 128 pks, i 31344 j 49432 UBI -2.225487 -1.678144 -0.922493 1.388488 -0.650812 2.503484 -2.984863 2.666072 2.348062
info: new grain 136 pks, i 31342 j 49431 UBI -1.295769 -0.275004 -2.620004 2.665416 1.215403 0.199157 1.945106 -4.179340 -0.525461
info: new grain 145 pks, i 31341 j 48506 UBI -2.629427 1.143275 0.636222 0.331577 -1.683595 -2.380987 -1.027954 -3.760038 2.517327
info: new grain 129 pks, i 31335 j 49425 UBI -1.438730 -0.447803 -2.520518 2.650351 1.262392 -0.026293 1.985766 -4.176006 -0.392315
info: new grain 132 pks, i 31329 j 20654 UBI -2.103476 0.007242 2.046925 2.561111 1.339072 0.521271 -1.699908 3.940174 -1.765397
info: new grain 143 pks, i 31324 j 21803 UBI 2.581463 0.792963 1.147325 -0.699954 0.802498 -2.736926 -1.921864 3.896232 1.633616
info: new grain 145 pks, i 31319 j 20650 UBI 1.309450 2.108435 -1.565235 1.016296 -0.697465 2.665691 2.816985 -3.162139 -1.899519
info: new grain 130 pks, i 31316 j 20647 UBI 1.873276 -0.098181 2.258608 -2.772209 -0.899161 0.352480 1.242529 -4.302827 -1.216599
info: new grain 159 pks, i 31314 j 49410 UBI -0.567052 -1.752631 -2.284579 1.685627 2.376644 -0.356600 3.766784 -2.520442 1.003567
info: new grain 136 pks, i 31313 j 49185 UBI -1.297125 0.979600 -2.445300 -1.383019 0.211316 2.581047 1.893883 4.183120 0.671175
info: new grain 139 pks, i 31309 j 21337 UBI 0.613329 -1.588020 2.391985 1.138622 -0.758273 -2.595224 3.695450 2.685524 0.833965
info: new grain 136 pks, i 31302 j 48707 UBI -1.494197 -1.420654 -2.089115 0.397503 2.903353 -0.195303 3.944019 -0.697528 -2.343309
info: new grain 144 pks, i 31301 j 20639 UBI 1.360209 1.492105 2.130550 -1.984167 -2.055386 0.681233 3.354814 -3.205445 0.103297
info: new grain 136 pks, i 31295 j 49631 UBI -2.296994 -0.191576 1.819753 2.292091 1.694000 0.702310 -2.002051 3.595092 -2.144785
info: new grain 139 pks, i 31294 j 48941 UBI 2.906346 0.251861 -0.336431 -1.400564 -2.351932 -1.056068 -0.656157 2.202081 -4.032570
info: new grain 129 pks, i 31289 j 49173 UBI 0.473799 -1.788805 2.277125 -0.347588 2.881996 0.443893 -4.576918 -0.622112 0.463800
info: new grain 139 pks, i 31288 j 21089 UBI -0.442045 -1.438142 -2.520581 -1.388377 -0.856389 2.441021 -3.524661 2.848064 -1.002418
info: new grain 138 pks, i 31283 j 49392 UBI -1.585517 -2.457277 -0.261220 -1.110006 2.320090 1.415912 -1.786036 1.576955 -3.982449
info: new grain 124 pks, i 31277 j 21082 UBI 1.829487 0.594991 -2.216582 -2.755152 1.012719 -0.057499 1.373836 3.865199 2.174031
info: new grain 130 pks, i 31276 j 21774 UBI 1.050704 1.700375 -2.152105 0.455942 -2.899088 -0.064684 -3.948598 -0.567554 -2.369963
info: new grain 137 pks, i 31275 j 48927 UBI 2.321295 -0.469417 1.735132 -2.515893 0.979867 1.148610 -1.394656 -4.376237 0.683924
info: new grain 141 pks, i 31270 j 21314 UBI 2.723084 -0.625662 -0.902464 -0.972655 -1.049591 2.563752 -1.584986 -3.790640 -2.153991
info: new grain 144 pks, i 31268 j 49158 UBI 1.647922 -0.096481 2.427187 -2.701017 -1.151390 0.012251 1.738523 -4.088482 -1.342119
info: new grain 142 pks, i 31267 j 21311 UBI 2.745679 0.592748 -0.854255 -1.795382 -1.505474 -1.768877 -1.454029 3.974953 -1.906331
info: new grain 134 pks, i 31266 j 21770 UBI 1.640554 -1.844618 1.587693 -2.070982 1.617188 1.307263 -3.097488 -3.380594 -0.726208
info: new grain 137 pks, i 31265 j 21769 UBI -2.870324 0.283380 0.547544 1.435508 -2.396890 0.900301 0.977362 2.095520 4.023622
info: new grain 146 pks, i 31261 j 20840 UBI -2.097588 1.101044 1.734521 2.510225 -0.976216 1.168253 1.855726 4.232229 -0.443695
info: new grain 133 pks, i 31258 j 20838 UBI 1.755070 0.103051 2.351633 0.768780 1.394778 -2.465752 -2.194404 3.815831 1.468487
info: new grain 134 pks, i 31257 j 48464 UBI 0.032898 2.104185 -2.048873 0.208715 -2.819868 -0.787437 -4.622954 -0.249637 -0.331432
info: new grain 152 pks, i 31256 j 21532 UBI -1.551748 1.140079 -2.218459 2.156163 -1.916086 -0.547497 -3.029703 -3.499285 0.323539
info: new grain 140 pks, i 31254 j 48682 UBI 1.715676 -0.400627 2.348983 -2.419659 1.648253 0.214191 -2.461647 -3.760010 1.155113
info: new grain 137 pks, i 31251 j 49150 UBI -1.004499 -1.221920 -2.472223 -0.674356 -1.183423 2.600741 -3.796647 2.659410 0.226650
info: new grain 130 pks, i 31250 j 48460 UBI 1.857132 0.533698 -2.208804 -2.896447 0.020396 -0.479903 -0.129966 4.533970 0.986530
info: new grain 144 pks, i 31247 j 20612 UBI -2.403996 -1.555844 -0.644141 0.268309 2.758520 -0.970588 2.041017 -1.559693 -3.865842
info: new grain 124 pks, i 31246 j 48458 UBI -1.626131 2.443752 -0.024698 2.529819 -0.095008 -1.486827 -2.261199 -1.542254 -3.748037
info: new grain 141 pks, i 31240 j 21297 UBI -0.376389 2.645986 1.215872 -0.802224 -0.463289 -2.785498 -4.231326 -1.258110 1.429769
info: new grain 136 pks, i 31237 j 49602 UBI 2.154698 -1.766482 0.922530 -2.367161 0.429247 1.682833 -2.094190 -3.612345 -2.025543
info: new grain 133 pks, i 31233 j 21522 UBI 1.323536 -1.144568 -2.357769 -2.171466 1.947534 -0.334509 3.093473 3.460263 0.057855
info: new grain 132 pks, i 31230 j 48449 UBI 0.546809 -1.777618 -2.270835 1.106228 -0.619272 2.648079 -3.800825 -2.461993 1.014038
info: new grain 156 pks, i 31221 j 48894 UBI 2.550970 -0.479930 -1.370099 -2.362159 0.815803 -1.541156 1.152839 4.455137 0.592177
info: new grain 138 pks, i 31220 j 48665 UBI -0.313040 1.573445 -2.458481 1.014326 1.276893 2.441560 4.340011 -1.075708 -1.240011
info: new grain 147 pks, i 31213 j 49591 UBI 2.080015 2.007248 0.509535 -2.069924 -0.511460 2.017032 2.677491 -3.267249 1.922933
info: new grain 123 pks, i 31212 j 48890 UBI 1.338920 -1.551151 -2.100926 0.211473 -0.839349 2.805838 -3.805423 -2.609691 -0.494665
info: new grain 160 pks, i 31210 j 21511 UBI -0.236052 1.527483 2.495676 0.307892 1.406234 -2.559578 -4.612564 0.102534 -0.498363
info: new grain 140 pks, i 31209 j 21510 UBI -0.942484 2.594493 -0.995257 1.357717 -0.170734 2.597595 4.086411 0.682489 -2.093342
info: new grain 116 pks, i 31207 j 21740 UBI 0.398524 2.072511 2.041760 -2.130252 -1.992961 0.327776 2.951195 -2.784737 2.250902
info: new grain 134 pks, i 31205 j 20813 UBI 0.678081 -1.519454 2.417079 -0.608673 2.865821 0.191454 -4.489476 -0.997403 0.627579
info: new grain 142 pks, i 31203 j 21040 UBI 1.648334 1.633856 1.797770 -2.187171 -1.627362 1.088613 2.925517 -3.559226 0.554365
info: new grain 140 pks, i 31200 j 49351 UBI 2.225916 1.787074 0.678842 0.108281 -1.619856 -2.447412 -2.038656 3.438914 -2.362089
info: new grain 134 pks, i 31199 j 49582 UBI 0.577812 -2.244945 -1.800099 -0.094961 -0.431891 2.902403 -4.536883 -0.939460 -0.289136
info: new grain 124 pks, i 31198 j 48884 UBI -1.919199 0.104182 -2.219205 -0.414844 1.667449 2.380108 2.454912 3.415190 -1.963723
info: new grain 133 pks, i 31197 j 49348 UBI 2.827511 0.147468 -0.775553 -2.055399 1.211195 -1.710115 0.425700 3.997818 2.317732
info: new grain 144 pks, i 31195 j 21036 UBI -1.545259 -2.311465 -0.936429 2.301923 0.951758 -1.554515 2.790824 -2.831427 2.394717
info: new grain 136 pks, i 31194 j 49119 UBI 0.290026 -2.534459 -1.454489 -0.634929 -0.015914 2.866159 -4.530421 0.056694 -1.003040
info: new grain 147 pks, i 31189 j 48434 UBI -2.029002 -1.530745 1.466175 -0.546243 0.916597 -2.734987 1.768738 -3.953070 -1.674005
info: new grain 141 pks, i 31184 j 49572 UBI 0.756883 2.000699 2.010854 -0.217299 0.765147 -2.827106 -4.474859 1.059378 0.631410
info: new grain 139 pks, i 31183 j 49339 UBI -1.822758 0.673509 -2.198780 2.451973 -1.520621 -0.540558 -2.307671 -3.967592 0.696123
info: new grain 158 pks, i 31181 j 49570 UBI 1.092550 1.634026 2.179389 -0.421659 -2.877938 0.393649 4.303944 -0.837799 -1.525423
info: new grain 133 pks, i 31178 j 20802 UBI 0.763950 2.211243 1.773662 -0.368130 -2.699832 1.093050 4.482691 -0.926391 -0.775582
info: new grain 175 pks, i 31173 j 21264 UBI 0.672188 -2.101502 1.935217 0.191988 2.824850 0.774776 -4.415142 -0.093906 1.432215
info: new grain 149 pks, i 31172 j 21025 UBI 2.608083 -1.343476 -0.034822 -2.390923 -1.407975 -0.966492 0.778271 1.619212 -4.278233
info: new grain 136 pks, i 31171 j 21486 UBI -1.970611 1.637741 -1.434807 0.764448 0.692961 2.748293 3.416704 2.685046 -1.628113
info: new grain 133 pks, i 31166 j 21258 UBI 0.329666 -2.239934 1.869600 -1.272061 2.484998 0.901972 -4.142935 -1.662721 -1.264210
info: Number of orientations with more than 80 peaks is 213
info: Time taken 0.077/s
info: UBI for best fitting
[[ 0.67218761 -2.10150224 1.9352172 ]
[ 0.19198766 2.82484997 0.77477551]
[-4.41514207 -0.0939058 1.4322154 ]]
info: Unit cell: (2.9348276685677446, 2.9354580043867924, 4.642578893050253, 90.01377800217982, 89.9950070998414, 120.0037339270195)
info: Indexes 175 peaks, with <drlv2>=0.007412
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 27643
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: 1222
info: Number of peaks in ring 2: 934
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1120
info: Time taken 0.003054 /s
info: Scoring 1120 potential orientations
info: new grain 145 pks, i 49705 j 3128 UBI -0.376495 -2.861149 -0.534068 1.533673 0.865228 2.348896 -3.889809 0.038290 2.531513
info: new grain 136 pks, i 49702 j 30968 UBI 0.542548 2.850423 -0.448826 1.957696 -1.661993 1.423069 2.057514 -1.026388 -4.030748
info: new grain 124 pks, i 49701 j 31414 UBI 1.878905 1.268715 -1.864176 -2.891427 0.223352 -0.452875 -0.101847 3.883441 2.541441
info: new grain 130 pks, i 49690 j 3552 UBI -2.360888 0.159879 -1.737912 -0.165487 0.907987 2.786781 1.257408 4.268529 -1.314491
info: new grain 149 pks, i 49681 j 30929 UBI 2.259474 -1.871041 0.097366 -2.542650 -0.701596 1.287416 -1.456956 -1.963713 -3.945352
info: new grain 146 pks, i 49665 j 3500 UBI -2.800890 0.161852 0.861164 0.831711 1.236795 -2.530976 -0.916995 -3.959844 -2.236879
info: new grain 147 pks, i 49652 j 3034 UBI -1.328733 0.640632 2.537694 2.268101 -1.862611 -0.040810 2.927472 3.547452 0.636825
info: new grain 130 pks, i 49643 j 30869 UBI -2.176140 -1.117243 -1.622238 -0.615566 1.547432 2.418134 -0.114721 3.893242 -2.523676
info: new grain 135 pks, i 49637 j 3461 UBI 0.053501 -1.862593 2.269011 -1.596296 -0.633223 -2.379373 3.654021 -2.167867 -1.869198
info: new grain 146 pks, i 49634 j 3453 UBI 0.917862 -2.597079 -1.016319 -0.008192 2.346827 -1.763744 4.329540 1.012027 1.327791
info: new grain 123 pks, i 49630 j 2999 UBI 1.474139 -1.479887 -2.062686 -0.574920 2.854619 -0.370089 4.003899 1.075245 2.087676
info: new grain 123 pks, i 49623 j 3437 UBI 2.010196 0.715076 -2.017573 -2.496056 -1.314473 -0.814475 -2.010086 4.149946 -0.532542
info: new grain 149 pks, i 49612 j 30814 UBI -0.981770 2.164837 -1.723084 -0.099075 -2.782590 -0.935171 -4.237916 -0.462385 1.833646
info: new grain 133 pks, i 49611 j 30812 UBI -1.375809 -2.534047 0.551447 1.602027 0.300367 -2.442679 3.744445 -1.539476 2.266677
info: new grain 135 pks, i 49603 j 3396 UBI 1.835390 -2.273415 -0.286651 0.019212 2.161971 -1.986611 3.189052 2.260883 2.499125
info: new grain 124 pks, i 49597 j 3380 UBI 1.879106 1.139954 -1.946555 1.013646 -1.394375 2.376973 -0.004383 -4.003126 -2.346918
info: new grain 140 pks, i 49579 j 31196 UBI 1.933326 -0.179773 -2.203332 0.728867 -0.965440 2.675168 -1.622242 -4.210741 -1.078144
info: new grain 141 pks, i 49562 j 31164 UBI 1.986454 -1.270532 1.749625 0.800070 1.009987 -2.638205 0.982386 4.127576 1.878304
info: new grain 134 pks, i 49560 j 31160 UBI 1.165031 2.411715 1.202887 0.420929 -2.619311 1.259548 3.844287 -0.597630 -2.527959
info: new grain 124 pks, i 49559 j 31157 UBI 2.004880 0.437098 -2.100070 0.582869 -1.818876 2.229040 -1.767821 -3.539925 -2.425124
info: new grain 134 pks, i 49557 j 30705 UBI 0.826706 2.098982 1.876650 -1.583851 -2.279666 0.953525 3.907330 -2.342481 0.895196
info: new grain 140 pks, i 49553 j 2853 UBI 0.168516 1.708336 2.380377 -0.272592 1.211693 -2.660903 -4.621210 -0.124854 0.417256
info: new grain 139 pks, i 49552 j 3300 UBI -1.878124 -1.608311 -1.581651 2.710976 0.501500 -1.007447 1.502377 -3.842795 2.125487
info: new grain 139 pks, i 49551 j 30693 UBI -0.575980 1.100888 -2.659019 -1.155640 1.253524 2.391243 3.710801 2.767831 0.342092
info: new grain 141 pks, i 49550 j 3293 UBI 2.683552 0.405184 -1.122140 -0.321127 -1.354673 2.584201 -0.290674 -4.087968 -2.177153
info: new grain 146 pks, i 49547 j 2840 UBI 0.391584 -1.583136 -2.440277 1.193679 2.673059 0.220177 3.842587 -1.859152 1.820917
info: new grain 147 pks, i 49544 j 2835 UBI 1.648803 1.271713 -2.071639 -2.837477 -0.540926 -0.511918 -1.098915 4.178847 1.693110
info: new grain 132 pks, i 49542 j 3280 UBI 2.118833 0.440219 1.985176 -2.239698 -1.797419 0.614559 2.384696 -3.573224 -1.754138
info: new grain 134 pks, i 49541 j 31124 UBI -0.125423 2.733151 1.065934 -0.856992 -0.541840 -2.755206 -4.321239 -0.784381 1.496849
info: new grain 122 pks, i 49540 j 3274 UBI -0.790321 2.820713 0.194434 -0.881280 -1.617111 -2.285987 -3.814004 -1.228934 2.341707
info: new grain 140 pks, i 49538 j 2822 UBI 2.430827 0.831247 -1.419146 0.026091 -0.267006 2.923482 1.277153 -4.443264 -0.416474
info: new grain 149 pks, i 49537 j 3269 UBI 0.594783 2.548614 -1.324232 0.248928 -0.234061 2.916993 4.436694 -1.282617 -0.481553
info: new grain 148 pks, i 49535 j 30664 UBI -1.550688 -0.438338 -2.456119 1.973673 2.167174 0.121736 3.277811 -2.896875 -1.550508
info: new grain 138 pks, i 49533 j 31107 UBI 0.423776 1.412287 -2.538090 0.397830 -2.905238 0.146648 -4.454967 -0.664369 -1.114529
info: new grain 143 pks, i 49525 j 3247 UBI 2.588083 -1.117057 -0.820843 -1.154168 -0.728157 2.598995 -2.179208 -3.591313 -1.972724
info: new grain 133 pks, i 49518 j 3224 UBI -1.674223 0.664778 -2.318094 -0.866771 0.752939 2.702304 2.202183 4.063259 -0.425523
info: new grain 126 pks, i 49516 j 30616 UBI 0.374651 -1.385045 -2.561586 0.821123 -1.295363 2.503722 -4.218670 -1.890216 0.404487
info: new grain 139 pks, i 49513 j 31055 UBI 0.147871 1.652851 2.421963 -0.809196 1.204360 -2.552557 -4.435948 -0.985247 0.940753
info: new grain 140 pks, i 49512 j 2760 UBI -2.092567 -1.247367 1.640778 -0.699407 1.275858 -2.548658 0.674227 -4.027396 -2.204018
info: new grain 123 pks, i 49509 j 30601 UBI 0.589204 1.743274 2.286293 -1.777254 0.937838 -2.140989 -3.652616 -1.744472 2.270538
info: new grain 156 pks, i 49504 j 3193 UBI 2.707594 -0.714996 -0.878832 -1.732396 1.610031 -1.740754 1.655988 3.878234 1.939170
info: new grain 136 pks, i 49499 j 2736 UBI 2.328805 -0.286277 -1.766224 0.377511 0.237845 2.902265 -0.257120 -4.614735 0.409963
info: new grain 133 pks, i 49497 j 3178 UBI -1.634150 -2.383005 -0.516422 -1.183675 2.330327 1.337145 -1.234001 1.739012 -4.122718
info: new grain 145 pks, i 49496 j 30573 UBI 1.491644 1.550764 -1.995571 0.469117 0.451700 2.862994 3.324450 -3.240691 -0.034755
info: new grain 138 pks, i 49493 j 31011 UBI 0.422404 2.597075 -1.295260 0.993416 -2.453289 -1.272960 -4.035779 -0.465709 -2.243780
info: new grain 128 pks, i 49489 j 3155 UBI 0.999096 -2.332631 -1.476246 -0.253525 2.593212 -1.352083 4.340269 1.071386 1.244938
info: new grain 145 pks, i 49488 j 3154 UBI 0.898565 1.451354 2.389571 0.125370 -2.931849 -0.069399 4.290766 0.225933 -1.749543
info: new grain 138 pks, i 49487 j 3152 UBI 1.849001 -2.190665 -0.630705 -2.347409 -0.501180 1.692433 -2.499816 -1.027163 -3.770981
info: new grain 142 pks, i 49484 j 2698 UBI 1.863636 1.051160 -2.008641 -1.274237 -2.614232 -0.404987 -3.530543 2.060675 -2.197899
info: new grain 130 pks, i 49483 j 30541 UBI -2.229872 -0.296450 1.884172 0.105665 -1.657232 -2.421618 2.388586 -3.235323 2.317077
info: new grain 132 pks, i 49482 j 30538 UBI 2.714875 -0.726972 0.849050 -0.459108 2.500055 -1.467955 -0.655911 2.236651 4.014533
info: new grain 143 pks, i 49480 j 3139 UBI -1.529984 -1.910875 -1.618843 2.671181 0.850286 -0.870356 1.893247 -3.517441 2.363438
info: new grain 142 pks, i 49479 j 2690 UBI -1.784129 1.377644 -1.881168 2.367107 -1.421150 -0.995250 -2.516290 -3.875575 -0.452069
info: new grain 123 pks, i 49477 j 3136 UBI 2.280788 1.709002 0.704185 -0.050317 -2.808689 0.854525 2.136160 -1.235404 -3.930664
info: new grain 147 pks, i 49476 j 2687 UBI -1.168830 -2.445769 -1.128499 1.771522 1.672768 -1.638841 3.662738 -2.433377 1.478825
info: new grain 150 pks, i 49474 j 30978 UBI -0.993979 -1.977749 -1.930130 0.646483 2.722678 -0.889336 4.356337 -1.322875 -0.885783
info: new grain 120 pks, i 49447 j 3530 UBI -1.043935 -2.362727 1.395116 1.742062 1.889492 1.416986 -3.720702 2.432539 1.334992
info: new grain 131 pks, i 49435 j 30899 UBI -1.898669 -0.151144 -2.232209 2.884793 -0.177663 -0.514209 -0.198980 -4.611893 0.478595
info: new grain 128 pks, i 49414 j 3475 UBI -0.792649 -2.170755 -1.810686 0.568877 -0.576417 2.821023 -4.459260 0.748140 1.052896
info: new grain 124 pks, i 49412 j 31318 UBI -2.663508 0.040933 1.233788 2.332926 0.942047 1.512735 -0.684462 4.294957 -1.619743
info: new grain 138 pks, i 49337 j 3335 UBI 0.020509 2.705188 1.138906 1.343330 -2.196259 1.410215 3.930183 0.934225 -2.286956
info: new grain 134 pks, i 49329 j 30715 UBI 1.432107 1.717460 1.900644 -1.351928 -2.428123 0.947028 3.880641 -2.441473 -0.716721
info: new grain 143 pks, i 49297 j 2803 UBI -2.668418 0.368577 1.166382 2.088890 2.013546 0.448734 -1.355928 2.259991 -3.820063
info: new grain 118 pks, i 49284 j 30612 UBI 0.192671 2.919705 -0.223011 -1.304141 -1.550898 -2.124638 -4.073575 0.434638 2.182161
info: new grain 132 pks, i 49270 j 2741 UBI -1.080584 2.446832 -1.208523 -0.483523 -0.572607 2.838949 3.888768 2.272627 1.118996
info: new grain 133 pks, i 49229 j 3549 UBI 1.367006 -2.379052 1.043756 1.491404 1.977240 -1.579107 1.050180 2.306940 3.886161
info: new grain 134 pks, i 49225 j 3541 UBI -2.193544 0.719469 -1.817025 2.713926 -0.372312 -1.051965 -0.891401 -4.498278 -0.706648
info: new grain 142 pks, i 49204 j 3057 UBI -0.802508 2.429719 -1.436841 0.352846 -2.520958 -1.462367 -4.464817 -1.044410 0.727922
info: new grain 131 pks, i 49203 j 31349 UBI 2.819878 -0.238093 -0.779999 -1.283634 -2.147782 1.535760 -1.269021 -2.069568 -3.955996
info: new grain 150 pks, i 49180 j 3010 UBI -2.043811 1.263120 -1.687366 -0.367799 -0.112365 2.909299 2.165246 4.081821 0.430711
info: new grain 140 pks, i 49176 j 30845 UBI -2.149074 0.724591 -1.863726 -0.640240 -0.706997 2.777772 0.436152 4.450387 1.233669
info: new grain 134 pks, i 49171 j 31285 UBI 0.337409 -2.869169 -0.530805 -2.454002 0.977815 1.279667 -1.956032 0.544979 -4.171859
info: new grain 128 pks, i 49167 j 2986 UBI 1.560002 1.249102 -2.150082 -1.816658 -2.226492 -0.605932 -3.448009 3.014432 -0.747375
info: new grain 136 pks, i 49147 j 31245 UBI 2.288668 1.773820 0.472417 -2.661075 0.740101 0.998096 0.886792 -2.202245 3.987453
info: new grain 127 pks, i 49146 j 31244 UBI -1.779947 -0.996277 2.112578 2.668239 1.012081 0.686100 -1.753343 4.263506 0.532234
info: new grain 140 pks, i 49141 j 3393 UBI 1.837516 -0.762261 2.159880 0.543580 -0.849902 -2.756482 2.446707 3.877328 -0.713332
info: new grain 131 pks, i 49139 j 30787 UBI 2.121864 -0.883591 1.824582 -2.620301 0.784038 1.066328 -1.476531 -4.381869 -0.406952
info: new grain 136 pks, i 49132 j 30775 UBI -1.611842 0.167131 2.449898 -1.067334 -1.364636 -2.368668 1.836946 -3.996789 1.478168
info: new grain 134 pks, i 49128 j 3372 UBI -1.940617 1.222095 -1.833885 1.952405 -1.944976 -1.011868 -2.986204 -3.445002 0.862988
info: new grain 124 pks, i 49116 j 2897 UBI -1.642578 1.219178 -2.106960 1.745762 -2.274192 -0.631298 -3.458047 -2.930800 0.997566
info: new grain 128 pks, i 49108 j 2877 UBI 2.027865 -0.969035 1.888224 0.717555 0.483748 -2.805925 1.124028 4.380759 1.044233
info: new grain 130 pks, i 49105 j 2874 UBI 1.196256 -2.087841 -1.680713 -2.131011 1.709456 -1.076491 3.185256 3.027475 -1.494241
info: new grain 126 pks, i 49103 j 30717 UBI -1.911723 -1.080589 -1.948919 1.296498 2.587206 -0.495188 3.466436 -2.157804 -2.203074
info: new grain 125 pks, i 49101 j 30714 UBI -0.143099 -1.542580 -2.494497 -1.159143 -1.087651 2.468358 -4.053458 2.017850 -1.016220
info: new grain 128 pks, i 49095 j 31154 UBI 1.976904 -0.540076 -2.102362 0.418159 -1.044675 2.711230 -2.275709 -3.879616 -1.144441
info: new grain 131 pks, i 49091 j 30696 UBI 0.666279 2.484838 -1.416189 -2.053323 -1.798938 -1.080235 -3.248615 2.252128 2.425904
info: new grain 134 pks, i 49083 j 3285 UBI 0.903879 1.754028 -2.173286 1.209900 0.223136 2.665622 3.213068 -3.129165 -1.193772
info: new grain 130 pks, i 49080 j 30674 UBI 2.257435 -0.748067 -1.720072 -1.730099 2.253778 -0.744532 2.755032 2.895868 2.356908
info: new grain 160 pks, i 49079 j 31121 UBI 2.267470 1.862580 0.093405 -2.524488 0.820705 -1.255466 -1.499497 1.622237 4.080504
info: new grain 130 pks, i 49073 j 3265 UBI -0.847415 2.638099 -0.966485 2.708085 -0.975732 -0.580412 -1.535852 -1.932648 -3.930155
info: new grain 134 pks, i 49072 j 30661 UBI -2.207001 -0.208813 -1.924825 -0.551047 0.720747 2.792283 0.501564 4.489916 -1.059181
info: new grain 136 pks, i 49067 j 3258 UBI -1.615854 -0.326510 -2.430099 -1.216598 -0.415474 2.638894 -1.163618 4.489601 0.169903
info: new grain 136 pks, i 49059 j 3246 UBI -1.762143 -1.747340 -1.569155 -0.652019 0.615660 2.796047 -2.434068 3.698720 -1.385237
info: new grain 146 pks, i 49055 j 30634 UBI -0.575074 2.137901 -1.927590 1.747857 -2.230806 -0.762766 -3.687149 -2.370705 -1.526295
info: new grain 132 pks, i 49053 j 3228 UBI 2.209051 -1.133411 -1.567067 -2.695706 0.142707 -1.153547 0.950047 4.210642 -1.705545
info: new grain 142 pks, i 49049 j 3216 UBI -0.092075 2.044083 -2.105309 0.612624 0.768166 2.766551 4.521413 -0.643587 -0.823763
info: new grain 138 pks, i 49047 j 30610 UBI 1.426355 1.812568 -1.815866 -2.626689 -1.069226 -0.758045 -2.063476 3.640123 2.008213
info: new grain 146 pks, i 49045 j 2761 UBI 0.032534 -2.250359 1.883481 -0.062266 2.756509 1.008013 -4.640576 -0.092510 -0.028229
info: new grain 151 pks, i 49042 j 2757 UBI -1.660709 -0.249657 -2.407785 -1.255598 0.545321 2.594777 0.415978 4.560563 -0.759037
info: new grain 135 pks, i 49034 j 3194 UBI -2.637115 0.235768 -1.266808 0.203858 -0.373943 2.904422 0.131998 4.602467 0.583076
info: Number of orientations with more than 80 peaks is 313
info: Time taken 0.077/s
info: UBI for best fitting
[[ 0.67218761 -2.10150224 1.9352172 ]
[ 0.19198766 2.82484997 0.77477551]
[-4.41514207 -0.0939058 1.4322154 ]]
info: Unit cell: (2.9348276685677446, 2.9354580043867924, 4.642578893050253, 90.01377800217982, 89.9950070998414, 120.0037339270195)
info: Indexes 175 peaks, with <drlv2>=0.007412
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 15570
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: 512
info: Number of peaks in ring 2: 1540
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 511
info: Time taken 0.001682 /s
info: Scoring 511 potential orientations
info: new grain 129 pks, i 31424 j 16943 UBI -2.419830 -0.678581 -1.515878 -0.226413 1.047422 2.732675 -0.167143 4.327342 -1.672445
info: new grain 115 pks, i 31420 j 16497 UBI 1.676846 -1.065863 2.160460 1.224175 0.822211 -2.538353 0.577540 4.290615 1.669912
info: new grain 150 pks, i 31419 j 44341 UBI -0.975199 2.439216 -1.309630 -1.903744 -2.044419 0.898580 -0.301968 2.091278 4.133461
info: new grain 123 pks, i 31415 j 16050 UBI 0.541415 1.086081 2.675193 2.024285 0.225175 -2.116533 -1.805896 4.074408 -1.290045
info: new grain 135 pks, i 31400 j 16476 UBI 0.060026 -2.781123 0.936966 -2.402032 1.052868 -1.320193 1.670162 -1.349075 -4.114629
info: new grain 140 pks, i 31395 j 42552 UBI -2.871801 0.580370 -0.193046 1.850984 2.053318 0.988665 0.604055 1.544567 -4.334977
info: new grain 153 pks, i 31391 j 16910 UBI -2.560620 -1.382767 -0.375343 0.276289 2.816830 -0.787009 1.331426 -1.317130 -4.244924
info: new grain 144 pks, i 31390 j 15142 UBI 2.228468 -0.160083 -1.904282 0.542256 0.251759 2.873570 0.015805 -4.623951 0.405022
info: new grain 134 pks, i 31385 j 16019 UBI -0.702843 1.005408 2.668128 2.810892 -0.104908 -0.836598 -0.351270 4.298965 -1.714907
info: new grain 122 pks, i 31378 j 16897 UBI -0.232636 2.883680 -0.498617 2.578999 -1.351797 -0.375988 -1.093292 -0.853861 -4.428924
info: new grain 123 pks, i 31368 j 14681 UBI 0.203199 0.951182 2.770020 0.486081 1.851182 -2.226351 -4.502596 1.118654 -0.053381
info: new grain 147 pks, i 31359 j 44723 UBI -1.251384 -0.500157 -2.607800 -1.389478 -0.775964 2.468163 -2.023915 4.171148 0.172651
info: new grain 133 pks, i 31343 j 43383 UBI 2.660897 -1.240066 -0.068759 -2.376050 -1.580395 -0.695405 0.470161 1.250941 -4.442737
info: new grain 144 pks, i 31337 j 43377 UBI -2.446619 -0.077571 -1.621198 -0.139086 -0.486364 2.890918 -0.630062 4.540837 0.730895
info: new grain 143 pks, i 31334 j 15529 UBI 2.848475 -0.631685 0.316814 -1.892152 -2.103243 -0.787428 0.720693 1.023749 -4.468348
info: new grain 143 pks, i 31330 j 44696 UBI 2.031046 1.476109 -1.519449 0.194079 -0.172834 2.924597 2.518986 -3.875257 -0.397482
info: new grain 132 pks, i 31326 j 44250 UBI -0.705425 -1.223444 -2.574544 2.728519 -0.262716 1.054052 -1.222248 -3.902942 2.192271
info: new grain 120 pks, i 31310 j 43791 UBI 1.716429 -2.332589 0.469629 -2.834439 -0.375582 -0.656764 1.065280 -0.130226 -4.515381
info: new grain 129 pks, i 31304 j 15059 UBI -0.802895 1.876794 2.110376 -0.315076 -2.890885 0.407933 4.266938 -0.211356 1.810573
info: new grain 155 pks, i 31290 j 15485 UBI 2.804650 0.850713 0.165212 -2.071492 1.917819 -0.808118 -0.625453 1.194304 4.440694
info: new grain 140 pks, i 31272 j 14587 UBI 2.210013 -1.911839 0.278923 -2.666052 -0.682119 1.019032 -1.092385 -1.865484 -4.107979
info: new grain 139 pks, i 31264 j 43746 UBI 1.408402 1.856987 1.785693 -0.258093 0.621453 -2.858726 -3.987245 2.216918 0.843776
info: new grain 126 pks, i 31242 j 15438 UBI 1.361553 2.064320 1.583225 -0.786988 0.557664 -2.772455 -4.107662 1.573064 1.482330
info: new grain 133 pks, i 31231 j 16753 UBI -2.357140 -1.707282 0.380347 2.680625 -1.194792 -0.085750 0.371018 0.506391 4.599024
info: new grain 147 pks, i 31229 j 15866 UBI 2.555599 0.443797 1.375707 -0.561630 -2.594574 -1.255010 1.874222 1.514174 -3.966373
info: new grain 128 pks, i 31226 j 14543 UBI 1.827794 0.644249 2.204441 0.146291 1.505595 -2.518471 -3.071168 3.062633 1.651766
info: new grain 127 pks, i 31218 j 43260 UBI 1.081548 1.643138 2.179233 -0.415951 1.176265 -2.657281 -4.307880 1.224158 1.216790
info: new grain 144 pks, i 31206 j 42808 UBI 1.245094 2.580455 -0.641604 -2.684124 -0.079891 1.187472 1.872446 0.150066 4.242411
info: new grain 138 pks, i 31192 j 42354 UBI 0.862227 0.472272 -2.768285 -1.241613 2.169052 1.542128 4.179807 1.306188 1.525378
info: new grain 126 pks, i 31185 j 43227 UBI 2.933084 -0.131778 -0.002758 -1.575523 -2.329909 -0.842251 0.065375 1.538881 -4.377769
info: new grain 135 pks, i 31182 j 15379 UBI -1.617047 -1.990624 -1.428227 2.726990 -0.665912 0.855889 -1.651013 -1.562333 4.047519
info: new grain 135 pks, i 31174 j 43216 UBI -1.787437 0.924539 -2.138214 -0.679544 0.518421 2.808758 2.307286 4.021987 -0.183203
info: new grain 126 pks, i 31169 j 16693 UBI -0.837274 2.743567 -0.623075 2.558507 -0.482392 1.358168 2.130910 -0.285150 -4.113355
info: new grain 155 pks, i 31159 j 14916 UBI 2.829099 -0.263138 -0.732221 -1.985423 0.699213 -2.045530 0.653304 4.505759 0.907191
info: new grain 124 pks, i 31158 j 16240 UBI 0.416412 1.924710 2.176254 -0.157977 0.937383 -2.777296 -4.593415 0.504906 0.432829
info: new grain 124 pks, i 31155 j 15352 UBI -0.501245 2.496119 1.458784 -2.242671 -1.490332 -1.166490 -0.459740 -2.397562 3.947851
info: new grain 144 pks, i 31149 j 43632 UBI -0.957047 0.074712 2.775261 -1.867379 0.496422 -2.210931 -0.963252 -4.533261 -0.206629
info: new grain 135 pks, i 31143 j 15781 UBI 2.646006 -0.586592 -1.131769 -0.996660 2.762107 0.054050 1.921805 0.609684 4.178164
info: new grain 130 pks, i 31140 j 16222 UBI -0.320451 -2.490357 -1.520301 2.624955 0.722436 1.099441 -1.020343 -2.263241 3.921733
info: new grain 152 pks, i 31135 j 42737 UBI 0.065982 -1.516216 -2.513420 2.504701 0.668291 1.375147 -0.255422 -3.970077 2.391545
info: new grain 124 pks, i 31123 j 44492 UBI 0.175602 1.482534 -2.527563 -2.189627 -1.907986 0.434005 -2.597780 3.393004 1.808987
info: new grain 138 pks, i 31120 j 14877 UBI 1.541872 -1.025727 2.275245 1.254549 0.210438 -2.647304 1.390074 4.310919 1.004452
info: new grain 131 pks, i 31113 j 44041 UBI -0.169808 -0.131376 -2.929468 2.329043 1.244660 1.280364 2.161202 -4.106133 0.058332
info: new grain 131 pks, i 31102 j 14419 UBI 0.448831 0.067165 2.900623 0.628214 2.354906 -1.637641 -4.313928 1.587225 0.630842
info: new grain 145 pks, i 31100 j 15299 UBI -0.996191 2.315463 1.502565 2.603055 0.137831 -1.355004 -2.078630 1.590259 -3.831287
info: new grain 140 pks, i 31099 j 42261 UBI 1.233088 0.926915 -2.498108 -2.193128 1.531038 1.213505 3.073537 2.475900 2.439320
info: new grain 132 pks, i 31098 j 16624 UBI -2.665124 0.755233 -0.972170 0.577790 -2.798013 0.674389 -1.373163 0.768067 4.365459
info: new grain 135 pks, i 31097 j 44468 UBI 2.230232 0.739189 1.760941 -0.363481 1.377846 -2.567376 -2.686853 3.161666 2.076074
info: new grain 141 pks, i 31094 j 14851 UBI 0.494313 -2.564298 1.341911 -2.675840 0.624954 -1.031751 1.121333 -1.916966 -4.075690
info: new grain 133 pks, i 31089 j 43574 UBI 1.422464 0.525424 -2.514619 -1.026173 2.236288 1.602375 4.016596 0.186343 2.313821
info: new grain 135 pks, i 31087 j 43572 UBI -0.608277 0.832225 -2.748528 -2.182165 -0.511840 1.896517 0.106081 4.447115 1.324645
info: new grain 134 pks, i 31086 j 15285 UBI 0.280942 0.663580 -2.844375 -0.500673 2.127607 1.958497 4.575061 0.549576 0.575839
info: new grain 128 pks, i 31083 j 44454 UBI -1.396810 2.540613 -0.453425 -1.535283 -2.432693 0.583894 0.237250 0.941132 4.538502
info: new grain 137 pks, i 31081 j 43566 UBI -0.240256 0.416564 -2.896511 -1.239669 1.899062 1.863451 3.902226 2.510478 0.037702
info: new grain 136 pks, i 31080 j 43124 UBI 0.704487 1.088941 -2.633410 -0.243690 1.792462 2.312127 4.501635 -0.613025 0.950466
info: new grain 140 pks, i 31077 j 15276 UBI -0.031647 -0.360826 -2.912839 -0.499084 -2.289777 1.767675 -4.545744 0.936615 -0.066490
info: new grain 157 pks, i 31072 j 42677 UBI 1.965743 -2.171024 0.189129 0.746256 2.729745 0.781092 -1.373951 -0.867054 4.348822
info: new grain 137 pks, i 31071 j 16597 UBI -0.428307 -1.440536 2.521988 2.563590 1.336075 -0.506536 -1.640712 3.882212 1.939782
info: new grain 129 pks, i 31067 j 43111 UBI 0.442216 -2.861576 -0.492985 -2.702941 0.990935 0.566956 -0.707646 0.675310 -4.537788
info: new grain 130 pks, i 31062 j 15702 UBI 0.571670 -0.327475 2.861271 1.887977 -1.025192 -2.002305 2.229525 4.069126 0.019487
info: new grain 137 pks, i 31057 j 43101 UBI -1.409161 0.381607 -2.546543 -0.408541 -2.459346 1.548463 -3.529478 2.004476 2.253028
info: new grain 128 pks, i 31045 j 16570 UBI -2.040174 -0.335206 -2.084861 -0.705150 1.263420 2.554293 1.104391 4.154286 -1.749613
info: new grain 139 pks, i 31044 j 14804 UBI 2.732296 1.037769 0.285557 -0.566396 -2.821185 0.577209 0.870481 -1.078697 -4.428478
info: new grain 148 pks, i 31043 j 14803 UBI -0.916761 -1.412809 -2.401629 0.979487 -1.520940 2.312764 -4.308431 -0.142451 1.727662
info: new grain 131 pks, i 31042 j 43526 UBI -1.017909 -0.742649 -2.650268 -0.396956 -1.803515 2.282916 -4.026784 2.103583 0.955608
info: new grain 135 pks, i 31037 j 14798 UBI -1.527761 0.289958 -2.490333 0.318014 -2.647346 1.227429 -3.879724 0.672776 2.456825
info: new grain 128 pks, i 31033 j 44403 UBI 0.773052 1.891841 -2.106966 -1.404161 0.962227 2.391166 4.073156 0.690756 2.114477
info: new grain 143 pks, i 31032 j 14793 UBI 0.187784 -1.785388 2.324132 0.935544 -0.909865 -2.629130 4.233734 1.658062 0.932491
info: new grain 157 pks, i 31031 j 42197 UBI -0.177383 2.930227 -0.024304 -2.224382 -1.613582 -1.033318 -1.907276 -0.080115 4.229913
info: new grain 128 pks, i 31030 j 42636 UBI -1.143769 2.154584 -1.633586 -0.352974 0.021501 2.914420 3.926390 2.431416 0.458221
info: new grain 144 pks, i 31028 j 15669 UBI -1.409896 -0.124786 2.571192 -0.561745 -1.995336 -2.081520 3.349594 -2.721963 1.703701
info: new grain 137 pks, i 31027 j 15668 UBI -2.834166 0.727547 -0.229218 2.018823 2.085403 0.447908 0.502059 0.499967 -4.585852
info: new grain 126 pks, i 31024 j 43510 UBI 0.353726 2.122848 -1.997577 0.993195 0.378163 2.736959 4.081466 -1.836019 -1.226818
info: new grain 125 pks, i 31018 j 15219 UBI 0.606767 -2.424248 -1.540440 2.154854 1.857067 0.723299 0.689198 -2.337114 3.950283
info: new grain 137 pks, i 31017 j 42183 UBI 0.432372 -0.585782 2.843790 -0.837890 -2.138711 -1.828336 4.447743 -0.989243 -0.882311
info: new grain 140 pks, i 31016 j 14337 UBI 0.539966 2.085800 1.995357 -0.632317 0.745500 -2.766380 -4.515311 0.147856 1.069559
info: new grain 134 pks, i 31015 j 15216 UBI 0.684896 -2.264285 -1.739039 -0.960322 -0.485015 2.731749 -4.369567 -0.123905 -1.558356
info: new grain 164 pks, i 31013 j 43059 UBI 0.927302 -0.523669 -2.737309 1.917403 0.797515 2.074027 0.685403 -4.460551 1.083586
info: new grain 138 pks, i 31010 j 44380 UBI -0.941052 1.655130 2.234517 -1.081225 0.424018 -2.695257 -3.363415 -3.079587 0.864287
info: new grain 151 pks, i 31007 j 42613 UBI -0.248712 -2.581576 -1.373989 -0.977715 2.450472 -1.289222 4.163597 0.633651 -1.951325
info: new grain 147 pks, i 31004 j 42170 UBI -2.656665 1.151287 -0.479086 1.382459 -1.445495 -2.149802 -1.966459 -3.963209 1.400209
info: new grain 139 pks, i 31003 j 16086 UBI 0.592676 0.267056 2.863876 -2.410511 -1.427819 -0.872582 2.398292 -3.970966 -0.127898
info: new grain 142 pks, i 31001 j 42167 UBI 0.720735 -2.693536 0.919367 0.004886 2.246341 1.889522 -4.450273 -0.843173 1.015708
info: new grain 130 pks, i 30996 j 15197 UBI -0.924545 -0.586586 2.723184 -1.931581 0.774130 -2.067767 -0.557181 -4.464216 -1.149073
info: new grain 132 pks, i 30993 j 14754 UBI -1.345324 1.884139 -1.805085 1.015664 0.926505 2.592941 4.076248 1.029896 -1.963658
info: new grain 141 pks, i 30988 j 44358 UBI -2.784732 -0.451981 -0.811812 0.617135 0.775413 2.763652 -0.384311 4.475718 -1.170676
info: new grain 125 pks, i 30987 j 43033 UBI 1.672404 -0.406000 -2.379298 0.639904 2.148977 1.892900 2.701134 -2.909429 2.399255
info: new grain 136 pks, i 30877 j 43365 UBI -0.814281 -2.386390 1.503989 2.847689 0.550591 -0.447723 0.149697 2.435048 3.948160
info: new grain 146 pks, i 30873 j 16842 UBI -1.694981 2.237874 0.858259 -1.224464 -2.530809 -0.844748 0.175830 -1.544130 4.373807
info: new grain 138 pks, i 30791 j 15435 UBI 0.572080 -2.338207 1.679404 1.267147 0.260337 -2.633829 3.564586 2.267661 1.929373
info: new grain 148 pks, i 30780 j 44595 UBI -2.522171 -0.355023 -1.461837 -0.026643 0.309495 2.919396 -0.364381 4.598565 -0.491677
info: new grain 130 pks, i 30767 j 15412 UBI 2.779137 0.745976 0.581469 -0.641918 -2.744984 -0.819918 0.611970 1.186246 -4.444821
info: new grain 146 pks, i 30760 j 15405 UBI 0.856327 2.463140 -1.348185 -2.856997 -0.638151 0.218063 -0.201428 2.280034 4.038645
info: new grain 142 pks, i 30754 j 44570 UBI 2.072972 1.353383 -1.576863 0.512554 -0.699714 2.802972 1.676227 -4.119116 -1.331888
info: new grain 122 pks, i 30699 j 16229 UBI -0.602711 0.937600 2.715993 -0.560482 -2.782261 -0.750929 4.261130 -1.227478 1.369362
info: new grain 140 pks, i 30683 j 43614 UBI 0.368089 2.285417 -1.802810 1.243147 0.014923 2.660783 3.792583 -2.003792 -1.767624
info: new grain 143 pks, i 30678 j 16650 UBI -0.196775 0.680264 2.850647 2.155397 1.138140 -1.636264 -2.709992 3.613400 -1.052818
info: new grain 148 pks, i 30669 j 42719 UBI -0.055026 2.789861 0.920416 -2.492775 -1.339217 -0.778608 -0.579791 -1.454502 4.367196
info: new grain 160 pks, i 30656 j 44474 UBI -2.221376 -1.512919 -1.179712 2.289838 -1.422466 1.163816 -2.136811 -0.074174 4.118472
info: new grain 154 pks, i 30640 j 43573 UBI 2.247783 -1.139653 1.507104 0.179874 0.279689 -2.915845 1.806520 4.244901 0.518467
info: Number of orientations with more than 80 peaks is 413
info: Time taken 0.072/s
info: UBI for best fitting
[[ 0.67218761 -2.10150224 1.9352172 ]
[ 0.19198766 2.82484997 0.77477551]
[-4.41514207 -0.0939058 1.4322154 ]]
info: Unit cell: (2.9348276685677446, 2.9354580043867924, 4.642578893050253, 90.01377800217982, 89.9950070998414, 120.0037339270195)
info: Indexes 175 peaks, with <drlv2>=0.007412
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 4011
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: 412
info: Number of peaks in ring 2: 102
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 264
info: Time taken 0.000509 /s
info: Scoring 264 potential orientations
info: new grain 165 pks, i 44724 j 3067 UBI 1.898625 2.054779 0.886023 0.903448 -2.769691 -0.381131 1.040718 0.948014 -4.421039
info: new grain 150 pks, i 44636 j 2976 UBI -0.578693 -0.205352 -2.870254 -1.545972 -1.588836 1.926796 -3.080811 3.449087 0.372811
info: new grain 127 pks, i 44582 j 31214 UBI 0.837558 1.930299 2.045511 -0.940540 0.947411 -2.615228 -4.344622 0.161885 1.624280
info: new grain 124 pks, i 44557 j 2895 UBI 0.839425 0.888828 2.668645 1.863899 -1.498219 -1.701316 1.543552 3.984962 -1.808624
info: new grain 143 pks, i 44556 j 3342 UBI -1.805671 -1.995254 1.173313 2.772096 -0.726235 -0.636440 1.317423 1.309599 4.252851
info: new grain 134 pks, i 44506 j 30689 UBI -2.914763 0.305376 -0.179620 1.163675 -2.613287 0.654756 -0.165370 1.058636 4.516467
info: new grain 145 pks, i 44481 j 2818 UBI -0.894801 0.770477 2.686269 0.505940 2.066207 -2.025913 -4.419477 -0.279520 -1.388645
info: new grain 135 pks, i 44445 j 2781 UBI -2.902514 -0.066465 -0.442833 1.397989 -2.404669 0.938642 -0.702159 1.309190 4.395925
info: new grain 124 pks, i 44437 j 3221 UBI -0.825978 -0.912087 2.665112 0.497548 2.852136 -0.486702 -4.451276 0.574789 -1.182746
info: new grain 140 pks, i 44434 j 31063 UBI -2.359309 -1.740332 0.180568 -0.281883 2.756691 -0.965430 0.736483 -1.448084 -4.346882
info: new grain 130 pks, i 44427 j 2763 UBI -2.906145 0.157843 0.375125 1.145222 0.210311 -2.695969 -0.312354 -4.603522 -0.490225
info: new grain 130 pks, i 44396 j 2733 UBI -1.957098 2.020850 0.839046 2.727733 0.809014 -0.723252 -1.332801 0.540879 -4.412844
info: new grain 134 pks, i 44392 j 30574 UBI -2.646074 -0.642621 -1.096729 0.473289 -0.178269 2.892033 -1.277334 4.436001 0.484598
info: new grain 153 pks, i 44390 j 31020 UBI -0.668054 2.110237 -1.929326 -1.155199 0.060434 2.698230 3.609675 2.505462 1.491101
info: new grain 134 pks, i 44389 j 2726 UBI 2.413341 -1.356942 0.977112 -2.517098 -1.488279 -0.259118 1.124180 -1.139849 -4.356355
info: new grain 146 pks, i 44382 j 31012 UBI 1.061636 2.701126 -0.437351 1.528039 -2.340117 -0.900041 -2.148830 0.176336 -4.109100
info: new grain 127 pks, i 44379 j 2716 UBI -1.208992 2.494665 -0.968662 -1.577087 -1.857046 1.635579 1.419771 2.182704 3.843418
info: new grain 132 pks, i 44376 j 2713 UBI 2.418671 1.020669 1.314904 0.124030 -2.460429 -1.596083 0.998788 2.503109 -3.779100
info: new grain 134 pks, i 44368 j 30998 UBI -2.252279 -1.758557 0.673466 2.742017 -1.046509 0.040315 0.393722 1.206376 4.464880
info: new grain 130 pks, i 44365 j 2702 UBI 1.433311 -0.194204 -2.553255 -0.070499 2.550188 1.452512 3.877094 -1.182664 2.264242
info: new grain 136 pks, i 44360 j 2697 UBI -0.983684 -0.088229 -2.763854 -1.006420 -1.923988 1.980134 -3.408736 2.940525 1.122077
info: new grain 132 pks, i 44286 j 31364 UBI -1.063482 -2.641055 -0.716892 -1.783774 2.330072 0.072091 0.920790 0.844690 -4.470610
info: new grain 131 pks, i 43892 j 30964 UBI -2.458205 0.475551 -1.536983 1.178565 -2.686649 0.090643 -2.541746 -0.986286 3.756725
info: new grain 134 pks, i 43829 j 31348 UBI 2.217415 1.246371 -1.465973 0.197525 -0.390254 2.902866 1.896013 -4.178619 -0.693235
info: new grain 142 pks, i 43561 j 2783 UBI 2.133919 1.945732 0.526013 0.542069 -2.873446 0.246269 1.239689 -0.146775 -4.471022
info: new grain 152 pks, i 43123 j 31079 UBI 2.677453 0.362125 -1.152014 -1.986911 2.153532 -0.196857 1.496898 1.749334 4.026471
info: Number of orientations with more than 80 peaks is 439
info: Time taken 0.018/s
info: UBI for best fitting
[[ 0.67218761 -2.10150224 1.9352172 ]
[ 0.19198766 2.82484997 0.77477551]
[-4.41514207 -0.0939058 1.4322154 ]]
info: Unit cell: (2.9348276685677446, 2.9354580043867924, 4.642578893050253, 90.01377800217982, 89.9950070998414, 120.0037339270195)
info: Indexes 175 peaks, with <drlv2>=0.007412
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 1098
info: Tried r1=4 r2=1 attempt 7 of 144, got 439 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: 38
info: Number of peaks in ring 2: 38
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 17
info: Time taken 0.000058 /s
info: Scoring 17 potential orientations
info: new grain 138 pks, i 49475 j 21162 UBI 1.871669 0.969212 -2.045848 -1.292235 -2.618205 -0.312545 -3.516128 2.006767 -2.265874
info: new grain 126 pks, i 48784 j 20495 UBI -0.771270 -1.776040 -2.207300 1.205098 -1.119131 2.431869 -4.219696 -0.491343 1.868165
info: Number of orientations with more than 80 peaks is 441
info: Time taken 0.002/s
info: UBI for best fitting
[[ 0.67218761 -2.10150224 1.9352172 ]
[ 0.19198766 2.82484997 0.77477551]
[-4.41514207 -0.0939058 1.4322154 ]]
info: Unit cell: (2.9348276685677446, 2.9354580043867924, 4.642578893050253, 90.01377800217982, 89.9950070998414, 120.0037339270195)
info: Indexes 175 peaks, with <drlv2>=0.007412
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 902
info: Tried r1=6 r2=6 attempt 8 of 144, got 441 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, -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: 99
info: Number of peaks in ring 2: 24
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 59
info: Time taken 0.000133 /s
info: Scoring 59 potential orientations
info: new grain 149 pks, i 44560 j 49343 UBI -2.191608 -1.950143 -0.101692 2.609625 -0.778697 1.097915 -1.382796 1.329412 4.226074
info: new grain 148 pks, i 44476 j 48831 UBI -1.092076 -1.564245 -2.234116 0.484417 2.876729 -0.319298 4.305545 -0.888362 -1.488149
info: new grain 171 pks, i 44475 j 20983 UBI 1.383479 0.128279 -2.585765 1.369563 -1.114140 2.343685 -1.600205 -4.226419 -1.069022
info: new grain 148 pks, i 44441 j 20967 UBI 0.659467 -2.128594 1.912944 -1.570626 2.322081 0.870706 -3.912289 -2.227567 -1.127586
info: new grain 152 pks, i 44416 j 48363 UBI -2.546787 1.338623 0.596007 1.631683 -1.097006 2.182129 2.221202 4.055209 0.377165
info: new grain 154 pks, i 43789 j 48492 UBI -2.855181 0.051564 0.674675 0.841515 -0.231650 -2.804257 0.005806 -4.626116 0.382641
info: Number of orientations with more than 80 peaks is 447
info: Time taken 0.006/s
info: UBI for best fitting
[[ 0.67218761 -2.10150224 1.9352172 ]
[ 0.19198766 2.82484997 0.77477551]
[-4.41514207 -0.0939058 1.4322154 ]]
info: Unit cell: (2.9348276685677446, 2.9354580043867924, 4.642578893050253, 90.01377800217982, 89.9950070998414, 120.0037339270195)
info: Indexes 175 peaks, with <drlv2>=0.007412
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 317
info: Tried r1=4 r2=6 attempt 9 of 144, got 447 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: [(-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: 32
info: Number of peaks in ring 2: 32
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 32
info: Time taken 0.000057 /s
info: Scoring 32 potential orientations
info: new grain 133 pks, i 44775 j 15164 UBI -2.872058 -0.594551 -0.115213 1.957049 -2.183874 -0.131812 -0.108000 -0.375546 4.625289
info: new grain 148 pks, i 44587 j 43702 UBI -2.647787 1.071468 -0.673551 0.569376 -2.857954 -0.379744 -1.449214 -0.865031 4.321451
info: new grain 127 pks, i 44419 j 15247 UBI -2.512526 -1.514036 -0.156881 -0.051160 2.934334 -0.004420 0.293977 -0.004273 -4.631069
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.003/s
info: UBI for best fitting
[[ 0.67218761 -2.10150224 1.9352172 ]
[ 0.19198766 2.82484997 0.77477551]
[-4.41514207 -0.0939058 1.4322154 ]]
info: Unit cell: (2.9348276685677446, 2.9354580043867924, 4.642578893050253, 90.01377800217982, 89.9950070998414, 120.0037339270195)
info: Indexes 175 peaks, with <drlv2>=0.007412
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 0
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: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for 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 10 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=(55707, 3), dtype=float64) (55707, 3) float64
info: Assign to rings, maximum d-spacing considered: 0.949427
info: Ring assignment array shape (55707,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( -1, 0, -4) 12 646 0 646 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 ( 0, -2, -1) 12 4338 0 4338 N/A N/A -48.14
info: Ring 7 ( -1, -1, -2) 12 4710 0 4710 N/A N/A -47.54
info: Ring 6 ( -2, 0, 0) 6 2761 0 2761 N/A N/A -46.32
info: Ring 5 ( -1, 0, -3) 12 7074 0 7074 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 ( -1, 0, -2) 12 10693 0 10693 N/A N/A -33.92
info: Ring 2 ( -1, 0, -1) 12 10748 0 10748 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 5374 0 5374 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 (55707, 3)
info: Assign to rings, maximum d-spacing considered: 0.949427
info: Ring assignment array shape (55707,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( -1, 0, -4) 12 646 0 646 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 ( 0, -2, -1) 12 4338 0 4338 N/A N/A -48.14
info: Ring 7 ( -1, -1, -2) 12 4710 0 4710 N/A N/A -47.54
info: Ring 6 ( -2, 0, 0) 6 2761 0 2761 N/A N/A -46.32
info: Ring 5 ( -1, 0, -3) 12 7074 0 7074 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 ( -1, 0, -2) 12 10693 0 10693 N/A N/A -33.92
info: Ring 2 ( -1, 0, -1) 12 10748 0 10748 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 5374 0 5374 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 (55707, 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 0.000715 /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 0.002884 /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 0.001416 /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 0.005876 /s
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, 0), (-2, 2, 0), (0, -2, 0), (0, 2, 0), (2, -2, 0), (2, 0, 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 1404
info: Time taken 0.005093 /s
info: Scoring 1404 potential orientations
info: new grain 148 pks, i 49697 j 26602 UBI 0.236226 -2.810972 0.810798 -1.950392 1.752081 1.322288 -3.197188 -1.180549 -3.152595
info: new grain 140 pks, i 49695 j 54448 UBI 2.083626 1.484732 1.442749 -2.832791 0.526998 0.558706 0.042346 -3.264399 3.299083
info: new grain 142 pks, i 49687 j 54336 UBI 0.336803 -2.570886 -1.375332 1.785681 2.245385 -0.626520 2.923615 -1.395168 3.323508
info: new grain 124 pks, i 49683 j 54334 UBI -0.316256 2.918915 -0.006914 1.917140 -1.273124 -1.822387 -3.311879 -0.364063 -3.230439
info: new grain 151 pks, i 49682 j 26597 UBI 2.720509 0.884505 0.659656 -2.315134 1.341766 1.209198 0.115534 -2.995899 3.543441
info: new grain 144 pks, i 49678 j 54331 UBI -2.692454 0.449993 1.083413 2.180036 1.845433 0.673720 -1.054452 2.596958 -3.698568
info: new grain 149 pks, i 49671 j 54377 UBI -0.414138 2.675372 -1.135845 2.154618 -0.452667 1.943782 2.912285 -1.019000 -3.464398
info: new grain 136 pks, i 49670 j 26591 UBI -2.512421 -0.915402 -1.208414 1.237671 2.502578 -0.907507 2.399334 -2.348171 -3.207335
info: new grain 141 pks, i 49666 j 26590 UBI -2.705722 -0.408879 -1.061973 0.497727 2.113687 1.977134 0.892542 2.997198 -3.428588
info: new grain 149 pks, i 49661 j 54324 UBI -0.409037 2.873883 0.434971 1.821130 -0.920948 -2.111266 -3.522641 -0.042599 -3.021274
info: new grain 125 pks, i 49658 j 26586 UBI 0.572225 2.198214 -1.860464 -2.183327 0.253701 1.946795 2.954079 1.831508 3.074800
info: new grain 127 pks, i 49656 j 26475 UBI 1.501783 -2.047752 1.473109 -2.070195 -0.797356 -1.922681 3.178660 -0.101249 -3.380435
info: new grain 136 pks, i 49655 j 26584 UBI 2.110861 -1.771733 -1.013529 0.544599 1.787811 2.265215 -1.368224 -3.314353 2.944129
info: new grain 150 pks, i 49654 j 26583 UBI -2.346134 -0.136659 -1.758461 0.312266 -1.935866 2.185390 -2.305158 2.845139 2.852780
info: new grain 139 pks, i 49653 j 54429 UBI -1.321443 -1.965002 1.736016 1.859507 -0.900755 -2.085004 3.519594 0.290762 3.010958
info: new grain 142 pks, i 49648 j 26471 UBI 2.268531 -1.849581 0.223026 -2.044668 -0.427579 -2.063190 2.431527 2.627704 -2.952844
info: new grain 139 pks, i 49647 j 54427 UBI 2.546262 -1.235534 0.776877 -0.019919 2.291418 -1.835182 0.305634 2.897062 3.613329
info: new grain 145 pks, i 49640 j 54425 UBI -2.874352 -0.373999 0.466205 1.464661 -1.877921 -1.715444 0.943878 -2.639676 3.699041
info: new grain 134 pks, i 49639 j 54424 UBI -1.824451 -1.847567 1.367849 2.879963 -0.098503 0.559169 -0.558796 3.085897 3.422659
info: new grain 131 pks, i 49636 j 26464 UBI 1.055686 2.664624 -0.638250 -1.721763 -0.372596 2.347049 3.740473 -0.858977 2.609254
info: new grain 151 pks, i 49635 j 54309 UBI -1.933929 1.862987 1.188699 2.089971 1.003875 -1.798343 -2.823662 -0.619084 -3.632076
info: new grain 136 pks, i 49632 j 54418 UBI -2.885453 0.153689 0.519484 1.854260 1.720144 1.490937 -0.410917 3.275959 -3.262582
info: new grain 135 pks, i 49627 j 26569 UBI 2.742687 -0.900971 -0.526608 -1.244131 2.005718 -1.743328 1.633552 3.383242 2.726427
info: new grain 132 pks, i 49626 j 26568 UBI -2.834849 0.052187 0.759699 1.940697 1.646903 1.459780 -0.730414 3.493485 -2.969333
info: new grain 128 pks, i 49625 j 26567 UBI 0.787187 2.085706 -1.910405 1.858034 -0.829189 2.116703 1.760091 -3.243315 -2.814728
info: new grain 132 pks, i 49622 j 54412 UBI -2.571348 -1.195021 0.754071 0.150958 1.834975 -2.288280 0.841047 -3.587137 -2.821288
info: new grain 136 pks, i 49619 j 26563 UBI -2.283624 -1.034715 -1.528995 1.223191 -1.640548 2.104039 -2.913993 1.825481 3.117795
info: new grain 153 pks, i 49618 j 54298 UBI 2.008872 -1.926425 0.937952 -0.366352 2.544404 1.413044 -3.179704 -1.982154 2.741467
info: new grain 142 pks, i 49613 j 54407 UBI -2.922119 0.099802 0.262616 1.694827 1.467182 1.894139 -0.121739 3.718683 -2.774937
info: new grain 122 pks, i 49606 j 26555 UBI 2.915077 -0.352572 -0.010855 -1.675229 -1.569995 -1.829185 0.391186 3.325238 -3.213065
info: new grain 134 pks, i 49605 j 26554 UBI 1.854912 1.795705 -1.397342 0.911738 -1.520685 2.339629 1.289647 -3.491433 -2.773543
info: new grain 133 pks, i 49601 j 26441 UBI -0.791832 -2.654025 0.974824 1.683990 0.244200 -2.393106 3.799946 -0.156371 2.658243
info: new grain 132 pks, i 49598 j 26439 UBI 2.341116 1.050003 1.428562 -2.617211 1.288716 0.323715 -0.933388 -2.795187 3.584630
info: new grain 133 pks, i 49596 j 54395 UBI 2.499511 0.280760 1.512338 -0.453680 1.624316 -2.403660 -1.948369 3.311507 2.604873
info: new grain 132 pks, i 49595 j 54283 UBI -1.395854 2.139988 1.442347 2.648631 -0.891856 0.902567 2.000809 3.162249 -2.745293
info: new grain 133 pks, i 49592 j 26436 UBI -1.774042 -1.242422 1.982614 -1.136957 1.524529 -2.236872 -0.152235 -3.867543 -2.559483
info: new grain 149 pks, i 49590 j 54393 UBI -2.714457 1.100992 -0.187424 1.969254 1.241193 1.790858 1.370349 2.790062 -3.446484
info: new grain 131 pks, i 49567 j 54274 UBI -2.229887 1.854626 0.454528 2.419855 0.180847 1.651950 1.854197 2.974588 -3.042830
info: new grain 142 pks, i 49566 j 26427 UBI 2.554187 1.217817 0.784055 -0.053096 -2.114044 -2.035483 -0.512003 3.207593 -3.314765
info: new grain 128 pks, i 49563 j 26537 UBI -0.013654 2.659536 -1.243426 1.680220 -0.511892 2.352094 3.493618 -1.278899 -2.774306
info: new grain 135 pks, i 49558 j 26535 UBI -0.285314 2.487702 -1.534787 -1.723804 -2.298268 -0.597431 -3.116009 1.539109 3.075777
info: new grain 130 pks, i 49556 j 26422 UBI -1.119665 2.622264 0.696325 2.309026 -1.050003 1.478830 2.866367 2.029282 -3.034483
info: new grain 138 pks, i 49555 j 54267 UBI 0.644058 -2.729155 0.871509 -2.190053 1.472355 1.285699 -2.977195 -1.699491 -3.125977
info: new grain 128 pks, i 49554 j 26531 UBI -2.782289 0.934985 -0.069180 2.030237 1.305654 -1.671066 -0.916592 -2.980636 -3.438614
info: new grain 140 pks, i 49548 j 26416 UBI 0.481347 2.706669 -1.030212 1.397536 -0.922508 2.410206 3.469364 -1.617391 -2.626910
info: new grain 154 pks, i 49546 j 26415 UBI -2.562453 -0.640979 1.281849 0.885541 -1.524199 -2.346005 2.144441 -3.030990 2.781019
info: new grain 137 pks, i 49545 j 26525 UBI 1.005420 1.996203 -1.903153 -2.716099 -1.073380 -0.297340 -1.639698 3.398618 2.701017
info: new grain 130 pks, i 49539 j 26522 UBI 2.161130 -0.572468 -1.902818 -0.504378 -1.827851 2.241549 -2.960112 -2.415623 -2.634590
info: new grain 136 pks, i 49526 j 54365 UBI -2.875305 0.082221 0.575401 1.808563 1.917873 1.289713 -0.622110 2.953124 -3.528177
info: new grain 155 pks, i 49524 j 26517 UBI -2.019661 -0.587357 2.048734 2.548517 -1.456312 -0.010857 1.861404 3.236298 2.758900
info: new grain 156 pks, i 49523 j 54363 UBI 2.369662 -1.585048 -0.706231 -2.564869 -0.526261 -1.324262 1.073848 3.076023 -3.304504
info: new grain 144 pks, i 49517 j 54359 UBI -2.561572 -1.339954 -0.514072 2.431970 -0.903214 -1.374505 0.852294 -2.966138 3.465727
info: new grain 128 pks, i 49514 j 26511 UBI 2.367781 1.578022 -0.720658 -2.452016 0.214381 -1.602445 -1.475981 3.457271 2.721448
info: new grain 131 pks, i 49511 j 26399 UBI -2.353129 -1.650659 -0.599814 2.424876 -0.248888 -1.637496 1.587452 -3.298366 2.851361
info: new grain 145 pks, i 49510 j 26398 UBI 0.380485 -2.889878 -0.361047 -2.072423 1.408730 -1.527303 3.059929 0.830393 -3.388060
info: new grain 140 pks, i 49508 j 26397 UBI -0.897568 2.074017 -1.874227 2.683758 -1.159058 -0.268819 -1.699590 -3.275467 -2.813925
info: new grain 143 pks, i 49507 j 26507 UBI -1.267063 2.355320 -1.211049 -1.536223 -1.724211 1.812658 1.357155 2.584909 3.607384
info: new grain 146 pks, i 49506 j 26395 UBI 2.354008 -1.504131 0.902135 -2.666155 -0.707393 1.004203 -0.542403 -2.964474 -3.528565
info: new grain 134 pks, i 49505 j 54240 UBI 2.272142 -0.232135 1.844720 -2.427695 -1.584516 0.457073 1.751109 -3.428112 -2.590964
info: new grain 138 pks, i 49502 j 54238 UBI -1.946530 1.329008 -1.751221 1.224442 1.478690 2.219719 3.443434 1.353611 -2.801529
info: new grain 148 pks, i 49494 j 54236 UBI -1.884444 -2.230993 0.315570 2.150412 -0.166653 -1.990726 2.794042 -1.907712 3.175724
info: new grain 137 pks, i 49491 j 54235 UBI -0.904539 -2.630884 0.937561 2.630576 1.020106 0.808274 -1.916204 1.988538 3.731007
info: new grain 133 pks, i 49490 j 26500 UBI -2.507283 -1.326875 -0.757709 0.650688 2.645584 -1.094891 2.148460 -2.013132 -3.586269
info: new grain 151 pks, i 49485 j 54344 UBI 2.626575 -0.686022 1.120971 -1.258758 2.564038 0.674140 -2.073490 -1.979005 3.651271
info: new grain 150 pks, i 49481 j 26385 UBI 1.464877 2.505064 -0.448802 0.479031 -2.313811 -1.742813 -3.358556 1.453285 -2.853846
info: new grain 142 pks, i 49478 j 26384 UBI -2.520547 0.385089 -1.456824 2.323121 1.685219 -0.616141 1.376389 -3.069126 -3.195007
info: new grain 140 pks, i 49464 j 26405 UBI -2.921024 -0.082378 -0.263359 1.267349 2.090359 1.626428 0.256643 2.742142 -3.735877
info: new grain 137 pks, i 49419 j 26550 UBI 2.412215 1.650485 -0.292448 -1.875846 0.513698 2.198031 2.351585 -2.953982 2.696617
info: new grain 144 pks, i 49401 j 26572 UBI -2.680265 -0.794058 -0.899015 0.309209 2.149059 1.976088 0.226092 3.119748 -3.427582
info: new grain 138 pks, i 49397 j 26570 UBI 0.841707 -2.412851 1.446479 -2.039512 -0.186071 -2.102589 3.322104 -0.735120 -3.156549
info: new grain 127 pks, i 49376 j 54292 UBI -0.961246 2.098155 1.814272 2.718569 -1.067017 0.299347 1.594170 3.245681 -2.909385
info: new grain 136 pks, i 49341 j 54389 UBI -2.749431 -0.867610 0.547740 0.506764 2.106003 -1.980460 0.356601 -3.218096 -3.326940
info: new grain 133 pks, i 49311 j 26413 UBI -2.925209 -0.192950 -0.147287 1.253497 2.022493 1.720177 -0.020206 3.014672 -3.528865
info: new grain 146 pks, i 49236 j 26603 UBI -2.647819 0.451689 -1.182486 1.186717 2.027887 1.762719 1.985042 2.028997 -3.671081
info: new grain 145 pks, i 49226 j 26489 UBI 2.606389 0.389543 1.293018 -2.401870 1.251088 1.133120 -0.730383 -3.768758 2.608610
info: new grain 136 pks, i 49219 j 54330 UBI 0.438984 -2.809754 -0.730796 -2.119638 1.547307 -1.318479 3.001870 1.320769 -3.281670
info: new grain 128 pks, i 49218 j 26483 UBI -0.965716 2.758383 -0.274633 -0.948548 -1.671844 2.218754 3.521019 1.494557 2.628502
info: new grain 138 pks, i 49209 j 26592 UBI 0.632736 2.827095 0.481011 1.364969 -1.468105 -2.145402 -3.331832 1.252309 -2.977934
info: new grain 127 pks, i 49197 j 26479 UBI -2.822522 0.502294 0.630380 2.095856 1.633842 1.247573 -0.251083 3.011236 -3.523291
info: new grain 128 pks, i 49196 j 54434 UBI -1.495300 1.656346 1.910479 -0.217166 -2.924649 0.108825 3.583929 -0.158603 2.943112
info: new grain 133 pks, i 49186 j 26579 UBI 1.652959 -2.424195 -0.108172 0.731657 2.349798 -1.601987 2.572394 1.598650 3.516123
info: new grain 140 pks, i 49182 j 26576 UBI 2.676359 0.225293 -1.185889 -0.740555 1.690865 2.282387 1.565719 -3.251014 2.917712
info: new grain 138 pks, i 49166 j 26564 UBI 2.741263 1.042876 -0.136411 -1.784759 0.841529 2.174167 1.482366 -3.552183 2.591594
info: new grain 116 pks, i 49155 j 54406 UBI 1.584378 2.471355 0.018891 -2.187317 -0.355952 1.925246 2.962597 -1.922544 3.010684
info: new grain 138 pks, i 49152 j 54404 UBI -0.465561 2.512795 1.444428 2.200447 -0.195824 -1.933989 -2.845075 1.418342 -3.381822
info: new grain 150 pks, i 49123 j 54391 UBI -2.698486 -0.616248 -0.981870 0.350421 1.784000 2.303679 0.205827 3.649658 -2.857714
info: new grain 135 pks, i 49118 j 26432 UBI 1.231323 2.158241 -1.561820 -2.021664 0.628399 2.034452 3.341112 0.408520 3.195777
info: new grain 141 pks, i 49100 j 54383 UBI -2.863064 0.245547 -0.590973 0.901994 -1.723887 2.199716 -0.297825 3.586191 2.931328
info: new grain 149 pks, i 49088 j 26418 UBI -1.917748 2.095647 -0.738174 -0.315252 -2.720621 -1.062317 -2.636236 -1.121947 3.650810
info: new grain 138 pks, i 49086 j 26528 UBI 0.272989 -2.909608 0.270572 1.847330 1.492504 -1.726273 2.872253 0.604736 3.594679
info: new grain 140 pks, i 49077 j 54370 UBI 1.761641 2.338822 -0.199672 0.630168 -2.155220 1.890630 2.484717 -2.149976 -3.279374
info: new grain 144 pks, i 49065 j 54255 UBI -2.298419 1.037046 1.503082 1.138363 -2.619610 0.681521 2.885474 2.038168 3.008403
info: new grain 130 pks, i 49054 j 26515 UBI 1.858754 -2.250799 -0.313050 -2.349694 -0.268846 1.738249 -2.484642 -1.552316 -3.599416
info: new grain 136 pks, i 49051 j 26513 UBI -1.836455 -2.244428 -0.457078 -0.499684 1.880564 2.197519 -2.532784 2.652299 -2.844948
info: new grain 136 pks, i 49032 j 26504 UBI -0.423381 -2.755405 -0.923120 1.599120 0.512589 2.406983 -3.830547 -0.283181 2.605984
info: new grain 148 pks, i 49029 j 26391 UBI -2.223554 1.186772 1.507584 0.855960 -2.749928 0.567590 2.993849 1.582497 3.172189
info: new grain 144 pks, i 49015 j 54233 UBI 2.906153 -0.406174 -0.088125 -1.219604 2.204745 -1.507676 0.501675 2.786563 3.675254
info: new grain 119 pks, i 49007 j 54341 UBI -2.798369 -0.886265 0.000549 1.887423 -1.098362 1.962207 -1.080992 3.414749 2.951164
info: new grain 145 pks, i 48984 j 54332 UBI -1.753732 -2.330681 0.327851 2.512423 0.168565 1.508590 -2.220504 2.158048 3.456937
info: new grain 128 pks, i 48933 j 26566 UBI 2.132655 -1.835587 -0.837134 -1.947980 -0.841021 2.029080 -2.753424 -1.677081 -3.338201
info: Number of orientations with more than 80 peaks is 100
info: Time taken 0.078/s
info: UBI for best fitting
[[ 2.36966205 -1.58504823 -0.70623074]
[-2.56486881 -0.52626054 -1.32426177]
[ 1.07384826 3.07602333 -3.30450425]]
info: Unit cell: (2.937079839097714, 2.934138951933146, 4.640562245003013, 89.98754843669762, 89.98842024616101, 119.99684770866602)
info: Indexes 157 peaks, with <drlv2>=0.007508
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 42256
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: [(-2, 0, 0), (-2, 2, 0), (0, -2, 0), (0, 2, 0), (2, -2, 0), (2, 0, 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: 1974
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 48
info: Time taken 0.000216 /s
info: Scoring 48 potential orientations
info: new grain 124 pks, i 54422 j 20862 UBI -2.460575 0.535747 -1.508843 1.360325 -2.586671 -0.279991 -2.520279 -1.704546 3.504581
info: new grain 134 pks, i 54399 j 48672 UBI -2.309578 1.619150 0.817008 2.682518 0.658875 0.995897 0.667350 2.792357 -3.645741
info: new grain 139 pks, i 54388 j 21266 UBI -1.490427 -2.390494 0.826185 -1.190281 1.883377 -1.909963 1.871102 -2.382306 -3.516783
info: new grain 146 pks, i 54387 j 48648 UBI 2.631549 -0.240836 1.279795 -0.310133 1.623969 -2.425373 -0.928960 3.723695 2.611642
info: new grain 138 pks, i 54381 j 48640 UBI 2.875031 0.586858 0.112045 -1.123627 -2.154778 1.648080 0.749828 -3.021178 -3.440445
info: new grain 140 pks, i 54368 j 48396 UBI -1.645939 2.010319 -1.365846 -0.517744 -2.859918 -0.428437 -2.959371 0.003759 3.571445
info: new grain 132 pks, i 54366 j 48613 UBI -2.898454 0.391737 0.237909 1.312950 -2.169194 1.480424 0.680498 2.860521 3.590055
info: new grain 138 pks, i 54289 j 21062 UBI -0.074493 2.822018 0.804964 -1.661349 -1.971566 1.404683 3.449749 -0.765451 3.007234
info: Number of orientations with more than 80 peaks is 108
info: Time taken 0.008/s
info: UBI for best fitting
[[ 2.36966205 -1.58504823 -0.70623074]
[-2.56486881 -0.52626054 -1.32426177]
[ 1.07384826 3.07602333 -3.30450425]]
info: Unit cell: (2.937079839097714, 2.934138951933146, 4.640562245003013, 89.98754843669762, 89.98842024616101, 119.99684770866602)
info: Indexes 157 peaks, with <drlv2>=0.007508
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 41234
info: Tried r1=9 r2=6 attempt 2 of 144, got 108 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: 3962
info: Number of peaks in ring 2: 16
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 101
info: Time taken 0.003917 /s
info: Scoring 101 potential orientations
info: new grain 141 pks, i 44787 j 26494 UBI -1.760464 2.275346 -0.592941 -0.953022 -2.185144 1.710160 1.618966 2.225275 3.738510
info: new grain 126 pks, i 44638 j 26451 UBI 0.918424 -2.159850 -1.762268 1.928675 1.449109 1.675190 -0.663459 -3.069315 3.417115
info: new grain 139 pks, i 44622 j 26448 UBI 0.898876 1.983058 1.970784 1.680805 -2.329574 -0.612560 2.096438 2.400901 -3.371793
info: new grain 133 pks, i 44572 j 26545 UBI 2.306809 -0.099820 -1.812342 -0.595276 -2.284843 1.747534 -2.679977 -1.840370 -3.310222
info: new grain 140 pks, i 43019 j 26514 UBI -1.843341 1.963733 -1.167000 2.216525 0.898402 1.702557 2.731459 0.341299 -3.737556
info: Number of orientations with more than 80 peaks is 113
info: Time taken 0.004/s
info: UBI for best fitting
[[ 2.36966205 -1.58504823 -0.70623074]
[-2.56486881 -0.52626054 -1.32426177]
[ 1.07384826 3.07602333 -3.30450425]]
info: Unit cell: (2.937079839097714, 2.934138951933146, 4.640562245003013, 89.98754843669762, 89.98842024616101, 119.99684770866602)
info: Indexes 157 peaks, with <drlv2>=0.007508
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 40582
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: [(-2, 0, 0), (-2, 2, 0), (0, -2, 0), (0, 2, 0), (2, -2, 0), (2, 0, 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: 1886
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 1160
info: Time taken 0.005172 /s
info: Scoring 1160 potential orientations
info: new grain 128 pks, i 31424 j 49006 UBI -2.419967 -0.678572 -1.516393 -0.226549 1.047428 2.732873 -0.166285 4.327529 -1.671554
info: new grain 150 pks, i 31417 j 49470 UBI 1.434422 -0.989716 -2.361808 -2.868275 0.603487 -0.170247 0.995004 4.365345 -1.224556
info: new grain 143 pks, i 31409 j 21620 UBI 2.191827 -1.046013 1.648629 -2.670227 0.359981 1.165082 -1.132501 -4.326089 -1.247945
info: new grain 142 pks, i 31406 j 21850 UBI 0.570315 1.726235 -2.305685 -0.079714 -2.915272 -0.333939 -4.536284 0.233295 -0.949979
info: new grain 133 pks, i 31404 j 21616 UBI 0.970432 -1.444166 2.364360 -2.577946 1.401302 0.091614 -2.143191 -3.845702 -1.469337
info: new grain 132 pks, i 31403 j 48753 UBI 0.225496 -1.519278 -2.502708 0.729622 2.841964 0.062080 4.364851 -1.143267 1.086595
info: new grain 132 pks, i 31402 j 21614 UBI -1.260877 0.923807 2.484306 -1.522572 0.009473 -2.509959 -1.455492 -4.320763 0.867681
info: new grain 122 pks, i 31401 j 21150 UBI 1.011539 -0.828508 2.627688 1.314978 -0.953530 -2.446451 2.818149 3.686619 0.077428
info: new grain 131 pks, i 31399 j 21386 UBI -0.729340 1.662926 2.305826 -0.404019 1.011182 -2.727553 -4.270808 -1.814422 -0.041445
info: new grain 137 pks, i 31398 j 20683 UBI 2.665377 0.746962 0.974868 -1.873570 -1.398664 1.774959 1.674656 -4.080356 -1.451283
info: new grain 130 pks, i 31397 j 49690 UBI -2.360740 0.160188 -1.738078 -0.165251 0.908148 2.786842 1.258366 4.268072 -1.314635
info: new grain 142 pks, i 31396 j 49457 UBI -2.286450 0.225202 -1.823373 -0.443857 -0.115100 2.899137 0.275166 4.628446 0.227809
info: new grain 132 pks, i 31389 j 48527 UBI -1.943475 -0.184596 -2.193566 2.680695 1.086393 -0.501625 1.538019 -4.260335 -1.004380
info: new grain 130 pks, i 31388 j 21381 UBI 0.444055 -2.896032 -0.183542 -2.435143 1.186674 -1.130252 2.170771 0.589439 -4.060451
info: new grain 138 pks, i 31384 j 21840 UBI 1.570309 -1.553937 1.934232 0.232649 -0.565812 -2.870982 3.455057 3.081025 -0.327346
info: new grain 166 pks, i 31383 j 21607 UBI 1.128161 -1.023235 2.509180 -0.839412 2.807687 -0.195774 -4.254225 -1.170555 1.435278
info: new grain 143 pks, i 31382 j 48985 UBI 1.111064 -0.860428 -2.575885 0.974343 -1.205736 2.492379 -3.266374 -3.282546 -0.318526
info: new grain 139 pks, i 31372 j 49677 UBI 0.355109 2.522691 -1.457439 -0.850488 -2.416787 -1.435417 -4.439238 1.087189 0.801607
info: new grain 136 pks, i 31371 j 48738 UBI -1.900271 -0.731623 -2.112900 2.647309 1.051155 -0.708859 1.704067 -4.316500 -0.038805
info: new grain 142 pks, i 31369 j 48980 UBI 1.680860 1.730330 1.668827 0.386794 -0.059457 -2.910575 -3.076108 3.443461 -0.476794
info: new grain 131 pks, i 31367 j 49675 UBI 1.602506 1.242079 -2.123643 1.186307 -0.482509 2.641519 1.400834 -4.197758 -1.396226
info: new grain 146 pks, i 31366 j 21828 UBI 1.317938 1.762923 1.942761 1.327479 -0.642101 -2.538804 -2.009926 3.686682 -1.980105
info: new grain 150 pks, i 31365 j 20670 UBI -1.642275 0.490146 2.385612 -1.201936 0.177034 -2.673174 -1.073964 -4.509139 0.185622
info: new grain 138 pks, i 31363 j 20889 UBI 0.051460 2.641948 1.279638 1.114709 -2.330220 1.397050 4.146023 0.840769 -1.905297
info: new grain 141 pks, i 31361 j 21366 UBI 0.914836 -1.990826 1.956099 -2.527478 1.429621 0.431352 -2.270136 -3.319311 -2.315858
info: new grain 149 pks, i 31356 j 48513 UBI 1.719422 1.510999 1.841343 -1.244919 -2.510074 0.877081 3.698042 -2.362554 -1.509765
info: new grain 135 pks, i 31355 j 20885 UBI -1.521300 0.451886 2.470099 -1.259117 0.481343 -2.608034 -1.470175 -4.400823 -0.102269
info: new grain 136 pks, i 31353 j 49206 UBI -0.237491 -2.230572 -1.892120 0.817520 2.652640 -0.955169 4.447968 -1.100655 0.741567
info: new grain 129 pks, i 31351 j 20662 UBI 1.755375 -1.745149 -1.578915 -0.206097 -0.366366 2.905602 -3.512161 -2.968611 -0.623546
info: new grain 134 pks, i 31349 j 21357 UBI 2.819939 -0.239307 -0.779297 -1.283748 -2.147514 1.535533 -1.268985 -2.069732 -3.956035
info: new grain 126 pks, i 31344 j 49199 UBI 0.836258 2.328872 -1.579873 -2.224950 -1.678204 -0.923231 -2.985790 2.665839 2.348678
info: new grain 136 pks, i 31342 j 21352 UBI -1.369515 -0.940484 2.420837 -1.295757 -0.275086 -2.620121 1.945204 -4.179561 -0.525641
info: new grain 145 pks, i 31341 j 48506 UBI -2.629538 1.142802 0.635794 0.332127 -1.683197 -2.381224 -1.027875 -3.759423 2.517113
info: new grain 128 pks, i 31335 j 21811 UBI 1.438865 0.447919 2.520090 -2.650678 -1.262632 0.026624 1.985559 -4.175811 -0.392566
info: new grain 129 pks, i 31329 j 20654 UBI -2.103437 0.009051 2.047085 2.561198 1.337600 0.521116 -1.699480 3.940742 -1.765249
info: new grain 151 pks, i 31327 j 20653 UBI -0.938948 1.223305 -2.496436 2.268339 -1.862641 -0.041109 -2.927602 -3.547167 -0.637443
info: new grain 143 pks, i 31324 j 21803 UBI 2.581480 0.792693 1.147410 -0.700043 0.802777 -2.736981 -1.920798 3.896170 1.634215
info: new grain 106 pks, i 31319 j 48521 UBI -2.329258 -1.405720 -1.109161 1.311385 2.105861 -1.560481 2.816104 -3.162520 -1.900104
info: new grain 160 pks, i 31314 j 49410 UBI -0.567433 -1.752497 -2.284928 1.685551 2.376549 -0.356491 3.766394 -2.520461 1.003499
info: new grain 138 pks, i 31313 j 49409 UBI -1.383714 0.210939 2.580871 2.680049 -1.190971 -0.135973 1.893828 4.183248 0.670855
info: new grain 133 pks, i 31309 j 49406 UBI 1.138550 -0.758397 -2.596405 -1.752854 2.345689 0.204875 3.694487 2.684184 0.833902
info: new grain 132 pks, i 31306 j 20863 UBI -1.594264 -0.633573 -2.380928 1.540886 2.497020 0.113183 3.653800 -2.167001 -1.868243
info: new grain 129 pks, i 31304 j 20861 UBI 0.802869 -1.876632 -2.110261 0.315059 2.890909 -0.408023 4.267041 -0.211139 1.810121
info: new grain 136 pks, i 31302 j 20640 UBI 1.493967 1.420761 2.089076 -0.397426 -2.903457 0.195412 3.944011 -0.697724 -2.343155
info: new grain 146 pks, i 31301 j 20639 UBI 1.360176 1.492411 2.130189 -1.984165 -2.055456 0.681326 3.355008 -3.205174 0.103251
info: new grain 139 pks, i 31294 j 48941 UBI 2.906469 0.251938 -0.336400 -1.400965 -2.351912 -1.056236 -0.656274 2.202054 -4.032508
info: new grain 138 pks, i 31293 j 48940 UBI -2.149347 0.726030 -1.861876 2.789383 -0.018662 -0.915616 -0.437761 -4.451934 -1.234227
info: new grain 124 pks, i 31289 j 48937 UBI -0.474836 1.789463 -2.276760 0.347714 -2.880743 -0.445547 -4.576438 -0.621897 0.463648
info: new grain 138 pks, i 31283 j 49392 UBI -1.585581 -2.457244 -0.261523 -1.109948 2.320327 1.415854 -1.786002 1.577262 -3.982888
info: new grain 123 pks, i 31282 j 49391 UBI -2.010068 -0.715102 2.017705 2.495942 1.314467 0.814347 -2.009849 4.149800 -0.532765
info: new grain 126 pks, i 31277 j 49389 UBI 2.754485 -1.013251 0.057077 -0.926086 1.607441 -2.274467 1.374042 3.865550 2.174122
info: new grain 130 pks, i 31276 j 21318 UBI 1.503652 -1.200628 -2.216505 -1.049399 -1.699560 2.151890 -3.949826 -0.568630 -2.369926
info: new grain 140 pks, i 31272 j 20847 UBI 2.209653 -1.912616 0.279175 -2.666288 -0.681256 1.019196 -1.093133 -1.865020 -4.107511
info: new grain 143 pks, i 31270 j 21314 UBI 2.722995 -0.625246 -0.902313 -0.972684 -1.049892 2.563733 -1.584442 -3.790508 -2.154930
info: new grain 144 pks, i 31268 j 21075 UBI -1.648001 0.096530 -2.427202 2.701095 1.151303 -0.012311 1.738704 -4.088556 -1.341604
info: new grain 142 pks, i 31267 j 21311 UBI 2.745809 0.592691 -0.854237 -1.795341 -1.505544 -1.768778 -1.454456 3.974730 -1.906554
info: new grain 137 pks, i 31264 j 49382 UBI 1.407987 1.857347 1.785663 -0.257763 0.621259 -2.858567 -3.987918 2.216436 0.843346
info: new grain 146 pks, i 31261 j 20840 UBI -2.097046 1.100401 1.734747 2.510212 -0.976228 1.168012 1.855225 4.232662 -0.443852
info: new grain 128 pks, i 31260 j 20839 UBI 0.225124 -2.234985 -1.890419 -1.601145 -0.299651 2.442433 -3.744905 1.539579 -2.266481
info: new grain 131 pks, i 31257 j 20617 UBI 0.033258 2.103354 -2.048149 0.208688 -2.820622 -0.787578 -4.623228 -0.248622 -0.331730
info: new grain 150 pks, i 31256 j 21532 UBI -1.551178 1.139912 -2.218446 2.155830 -1.916005 -0.547440 -3.030398 -3.499077 0.323448
info: new grain 141 pks, i 31254 j 20835 UBI 1.715982 -0.400384 2.348862 -2.419842 1.648099 0.214253 -2.461126 -3.760366 1.154958
info: new grain 143 pks, i 31247 j 20612 UBI -2.404124 -1.555621 -0.643794 0.268322 2.758118 -0.971049 2.041008 -1.560008 -3.866243
info: new grain 134 pks, i 31245 j 21064 UBI -2.288587 -1.774531 -0.472936 2.661071 -0.739681 -0.997765 0.886646 -2.202687 3.987056
info: new grain 127 pks, i 31244 j 21300 UBI -1.780093 -0.996227 2.112379 2.668336 1.011715 0.686311 -1.753240 4.263468 0.532353
info: new grain 143 pks, i 31240 j 21297 UBI -0.376708 2.646296 1.216290 -0.801344 -0.464409 -2.786297 -4.230773 -1.258410 1.429159
info: new grain 136 pks, i 31237 j 49602 UBI 2.154497 -1.766434 0.922717 -2.366997 0.428917 1.682800 -2.094619 -3.612880 -2.025537
info: new grain 136 pks, i 31233 j 21055 UBI -0.847819 0.803084 -2.691963 -1.323356 1.144927 2.357189 3.093694 3.460909 0.058065
info: new grain 133 pks, i 31230 j 20822 UBI -0.547071 1.777784 2.270893 -1.106252 0.618858 -2.648193 -3.800367 -2.461850 1.014036
info: new grain 156 pks, i 31221 j 48894 UBI 2.551125 -0.480117 -1.370210 -2.362184 0.815799 -1.541053 1.152793 4.455232 0.592140
info: new grain 128 pks, i 31218 j 21747 UBI 1.081152 1.643213 2.179261 -0.416042 1.176227 -2.657183 -4.308235 1.224133 1.216652
info: new grain 144 pks, i 31213 j 49591 UBI 2.080734 2.007005 0.509998 -2.070071 -0.511985 2.017176 2.676569 -3.266169 1.922841
info: new grain 125 pks, i 31212 j 48890 UBI 1.338759 -1.551759 -2.100636 0.211459 -0.839168 2.805851 -3.805349 -2.609837 -0.495231
info: new grain 161 pks, i 31210 j 49357 UBI -0.235661 1.527523 2.495520 0.307841 1.406084 -2.559581 -4.612902 0.102920 -0.498919
info: new grain 114 pks, i 31207 j 21508 UBI -0.398919 -2.072766 -2.041288 2.130504 1.993149 -0.328109 2.951305 -2.784554 2.250647
info: new grain 134 pks, i 31205 j 49585 UBI -0.069166 -1.346348 -2.608556 0.678137 -1.519145 2.416940 -4.489481 -0.997712 0.627402
info: new grain 143 pks, i 31203 j 21040 UBI 1.648297 1.634009 1.797876 -2.187311 -1.627854 1.088323 2.924945 -3.559029 0.554343
info: new grain 140 pks, i 31200 j 21505 UBI 2.225953 1.786934 0.679140 0.108364 -1.619515 -2.448131 -2.039058 3.438392 -2.361613
info: new grain 135 pks, i 31199 j 49582 UBI 0.577547 -2.245283 -1.799856 -0.094658 -0.431834 2.902166 -4.536963 -0.938549 -0.289171
info: new grain 130 pks, i 31198 j 21735 UBI -0.415056 1.668665 2.380563 2.333780 -1.771327 -0.160688 2.455259 3.415159 -1.963970
info: new grain 142 pks, i 31195 j 49120 UBI 1.544777 2.311990 0.936529 -2.301353 -0.952832 1.554338 2.790943 -2.831842 2.395007
info: new grain 136 pks, i 31194 j 49119 UBI 0.290272 -2.534396 -1.454297 -0.634981 -0.016064 2.866053 -4.530337 0.056529 -1.003133
info: new grain 149 pks, i 31189 j 48434 UBI -2.029611 -1.530579 1.466458 -0.546769 0.916602 -2.734339 1.768751 -3.953304 -1.674265
info: new grain 134 pks, i 31184 j 21494 UBI -0.757818 -1.998773 -2.010742 0.217816 -0.767272 2.826455 -4.474952 1.059758 0.631994
info: new grain 141 pks, i 31183 j 49339 UBI -1.822856 0.674022 -2.199158 2.452068 -1.521315 -0.540008 -2.307841 -3.967425 0.695620
info: new grain 157 pks, i 31181 j 21724 UBI 1.091351 1.634576 2.180277 -0.421104 -2.877666 0.393369 4.303420 -0.836453 -1.524844
info: new grain 139 pks, i 31178 j 20802 UBI 0.764396 2.211385 1.773834 -0.367239 -2.698370 1.093158 4.483397 -0.924484 -0.775555
info: new grain 176 pks, i 31173 j 21264 UBI 0.671762 -2.101532 1.935316 0.192461 2.824623 0.774901 -4.414739 -0.093892 1.432192
info: new grain 149 pks, i 31172 j 21025 UBI 2.608204 -1.343497 -0.034767 -2.391080 -1.407801 -0.966451 0.778235 1.619148 -4.278158
info: new grain 136 pks, i 31171 j 21486 UBI -1.970526 1.637759 -1.434724 0.764417 0.692917 2.748363 3.417000 2.684928 -1.627984
info: new grain 128 pks, i 31170 j 21023 UBI 2.028054 -0.969047 1.888241 -2.745298 0.485194 0.917686 -1.123415 -4.380567 -1.044168
info: new grain 134 pks, i 31167 j 48646 UBI -2.130879 1.711037 -1.077106 1.196833 -2.087830 -1.680959 -3.185058 -3.026090 1.492699
info: new grain 134 pks, i 31166 j 21258 UBI 0.329499 -2.239726 1.869557 -1.271288 2.484220 0.902592 -4.143077 -1.662755 -1.263861
info: new grain 126 pks, i 31165 j 48424 UBI -1.296782 -2.587320 0.495357 1.911842 1.080769 1.948915 -3.466384 2.157922 2.203164
info: new grain 145 pks, i 31164 j 21716 UBI 1.986468 -1.268891 1.750151 0.799701 1.012854 -2.638601 0.982414 4.126346 1.879292
info: new grain 134 pks, i 31163 j 49561 UBI 1.432902 1.717239 1.900157 -0.081555 0.711006 -2.847039 -3.881570 2.442829 0.718187
info: new grain 126 pks, i 31162 j 20797 UBI -1.159009 -1.087634 2.468128 -0.144446 -1.542588 -2.493083 4.055097 -2.017479 1.013409
info: new grain 124 pks, i 31157 j 49559 UBI 2.004783 0.437096 -2.100206 0.583059 -1.818584 2.229255 -1.767730 -3.539930 -2.425052
info: new grain 128 pks, i 31154 j 21249 UBI 1.976795 -0.539782 -2.102314 0.418172 -1.044911 2.711217 -2.275603 -3.879839 -1.144434
info: new grain 137 pks, i 31153 j 21711 UBI -0.827144 -2.098807 -1.876636 -0.756896 -0.181382 2.830604 -3.907364 2.342040 -0.893522
info: Number of orientations with more than 80 peaks is 213
info: Time taken 0.078/s
info: UBI for best fitting
[[ 0.67176219 -2.10153188 1.93531565]
[ 0.19246114 2.8246226 0.77490115]
[-4.41473914 -0.09389218 1.43219195]]
info: Unit cell: (2.934816406223321, 2.935303373522786, 4.642188185433007, 90.02131207104127, 89.98567581032765, 119.99830844593016)
info: Indexes 176 peaks, with <drlv2>=0.007520
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 27785
info: Tried r1=1 r2=6 attempt 4 of 144, got 213 grains
info: hkls of rings being used for indexing
info: Ring 1: [(-2, 0, 0), (-2, 2, 0), (0, -2, 0), (0, 2, 0), (2, -2, 0), (2, 0, 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: 1243
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 0.003187 /s
info: Scoring 1135 potential orientations
info: new grain 144 pks, i 49705 j 3128 UBI -0.376505 -2.861357 -0.533951 1.534514 0.865012 2.348763 -3.889612 0.038526 2.531423
info: new grain 142 pks, i 49704 j 3573 UBI 0.160288 1.739665 2.359913 -0.933033 1.085189 -2.562890 -4.364261 -1.112215 1.117249
info: new grain 136 pks, i 49702 j 30968 UBI 0.542383 2.850363 -0.448687 1.958038 -1.661891 1.423122 2.057543 -1.026182 -4.030465
info: new grain 124 pks, i 49701 j 31414 UBI 1.878923 1.268892 -1.864136 -2.891358 0.223206 -0.452772 -0.101998 3.883266 2.541798
info: new grain 138 pks, i 49699 j 3118 UBI -1.393671 0.151748 -2.581169 -0.957268 1.578665 2.281001 2.744199 3.517714 -1.277288
info: new grain 131 pks, i 49688 j 3100 UBI -1.684630 1.016362 -2.177611 -0.497996 0.856660 2.764392 2.906684 3.570157 -0.582794
info: new grain 128 pks, i 49680 j 30928 UBI 0.762613 2.677423 -0.932563 -1.495277 -0.309903 2.506913 3.994169 -0.322034 2.340013
info: new grain 142 pks, i 49673 j 3517 UBI -0.189616 2.159452 -1.979053 1.164971 0.528637 2.641912 4.199249 -1.123817 -1.629898
info: new grain 133 pks, i 49668 j 3055 UBI 2.213954 1.249680 -1.467631 -2.414597 -0.856790 -1.434372 -1.897385 4.178426 0.695584
info: new grain 129 pks, i 49667 j 3502 UBI -1.899817 -0.148716 -2.231668 -0.984652 0.326812 2.746508 0.198630 4.613517 -0.476707
info: new grain 149 pks, i 49665 j 3500 UBI -2.800298 0.162472 0.861167 0.831971 1.236897 -2.531350 -0.917466 -3.959914 -2.236550
info: new grain 124 pks, i 49644 j 3025 UBI -2.663501 0.041022 1.233840 0.330676 -0.983082 -2.746504 0.684288 -4.295040 1.619183
info: new grain 149 pks, i 49634 j 3453 UBI 0.918005 -2.597495 -1.016157 -0.007601 2.346246 -1.763546 4.329867 1.011918 1.328201
info: new grain 135 pks, i 49631 j 3450 UBI -2.296897 -0.191694 1.819721 2.291863 1.694127 0.702350 -2.001988 3.595393 -2.145398
info: new grain 122 pks, i 49630 j 2999 UBI 1.473830 -1.479744 -2.062782 -0.574781 2.854692 -0.370144 4.003559 1.075766 2.087369
info: new grain 149 pks, i 49612 j 30814 UBI -0.981932 2.164770 -1.723265 -0.099105 -2.782371 -0.934994 -4.238102 -0.462737 1.833564
info: new grain 142 pks, i 49607 j 2958 UBI -0.674033 -1.183568 2.600754 -1.004321 -1.222004 -2.471870 3.795824 -2.659822 -0.228255
info: new grain 123 pks, i 49597 j 31225 UBI 1.879120 1.139943 -1.946465 1.013834 -1.394063 2.376782 -0.004232 -4.002945 -2.347036
info: new grain 144 pks, i 49588 j 2916 UBI -0.942117 2.594818 -0.995694 -0.415390 -2.424804 -1.601489 -4.086782 -0.682556 2.093579
info: new grain 144 pks, i 49587 j 2915 UBI 2.856694 0.638279 -0.217029 -1.999794 1.825887 -1.130690 -0.201903 2.279996 4.038823
info: new grain 134 pks, i 49580 j 30749 UBI 2.828555 0.147939 -0.775875 -0.772034 -1.358321 2.485406 -0.425099 -3.997264 -2.317989
info: new grain 140 pks, i 49579 j 3351 UBI 1.933382 -0.179725 -2.203353 0.728677 -0.965476 2.675207 -1.622782 -4.210882 -1.077828
info: new grain 132 pks, i 49560 j 31160 UBI 1.165199 2.411499 1.202728 0.421107 -2.618884 1.259397 3.844601 -0.597625 -2.528165
info: new grain 139 pks, i 49553 j 3301 UBI -0.168066 -1.708692 -2.380378 -0.104424 2.921041 -0.279292 4.621442 0.124559 -0.418086
info: new grain 138 pks, i 49552 j 3300 UBI -1.878236 -1.608196 -1.581714 2.711217 0.501294 -1.007280 1.501924 -3.842715 2.125310
info: new grain 133 pks, i 49551 j 3296 UBI 0.576284 -1.101746 2.659165 -1.731157 2.355102 -0.268710 -3.710112 -2.767600 -0.342824
info: new grain 138 pks, i 49550 j 31138 UBI 2.683040 0.405074 -1.122271 -0.320544 -1.353857 2.584346 -0.291788 -4.088833 -2.177500
info: new grain 148 pks, i 49544 j 2835 UBI 1.649060 1.271405 -2.071620 -2.837709 -0.540656 -0.512030 -1.098557 4.178491 1.693077
info: new grain 132 pks, i 49542 j 3280 UBI 2.118689 0.440210 1.985030 -2.239614 -1.797173 0.614915 2.384372 -3.573281 -1.753722
info: new grain 140 pks, i 49538 j 31115 UBI -2.430467 -0.831289 1.418805 2.456683 0.563226 1.504713 -1.276834 4.442935 0.416649
info: new grain 150 pks, i 49537 j 3269 UBI 0.593813 2.548737 -1.324469 0.249701 -0.234201 2.917326 4.436057 -1.282062 -0.482286
info: new grain 145 pks, i 49535 j 2819 UBI -1.550060 -0.438100 -2.455959 1.973344 2.167859 0.122181 3.278601 -2.896120 -1.550055
info: new grain 143 pks, i 49533 j 2814 UBI -0.423225 -1.411460 2.538865 0.821569 -1.494319 -2.390467 4.455904 0.663308 1.112005
info: new grain 140 pks, i 49528 j 3251 UBI -2.668161 0.371626 1.164402 0.579891 -2.384289 -1.614087 1.352854 -2.257845 3.822054
info: new grain 136 pks, i 49522 j 30632 UBI -0.704347 -1.089016 2.633317 0.460696 2.881602 -0.320899 -4.501370 0.613077 -0.950277
info: new grain 132 pks, i 49518 j 3224 UBI -1.674496 0.664855 -2.318337 -0.866875 0.753253 2.701774 2.202260 4.062982 -0.425204
info: new grain 126 pks, i 49516 j 2771 UBI 0.374605 -1.384885 -2.561548 0.821039 -1.295288 2.503497 -4.219015 -1.890633 0.405129
info: new grain 116 pks, i 49515 j 2767 UBI -0.193324 -2.920171 0.223351 1.304092 1.550869 2.124671 -4.072529 0.434549 2.181897
info: new grain 138 pks, i 49513 j 31055 UBI 0.147795 1.652651 2.421960 -0.809436 1.204691 -2.552380 -4.435875 -0.985199 0.940817
info: new grain 140 pks, i 49512 j 2760 UBI -2.092549 -1.247288 1.640743 -0.699584 1.275874 -2.548520 0.674139 -4.027614 -2.204058
info: new grain 123 pks, i 49509 j 30601 UBI 0.589005 1.743089 2.286310 -1.776734 0.938376 -2.141204 -3.652563 -1.744141 2.270344
info: new grain 156 pks, i 49504 j 3193 UBI 2.707617 -0.714754 -0.878742 -1.732307 1.610016 -1.740741 1.656064 3.878284 1.939098
info: new grain 140 pks, i 49496 j 31021 UBI -1.492348 -1.550628 1.996110 1.962946 2.003205 0.866706 -3.321373 3.240744 0.033539
info: new grain 127 pks, i 49489 j 31000 UBI 0.999043 -2.332989 -1.476325 -0.253248 2.592990 -1.352281 4.339602 1.071603 1.244873
info: new grain 150 pks, i 49488 j 2706 UBI -0.898988 -1.451294 -2.390608 1.023270 -1.480693 2.319296 -4.291015 -0.225847 1.749052
info: new grain 136 pks, i 49487 j 30549 UBI -1.849803 2.190654 0.631091 -0.497547 -2.691973 1.061171 2.500233 1.027325 3.770471
info: new grain 138 pks, i 49484 j 30991 UBI -1.863670 -1.051391 2.008332 0.589323 -1.561122 -2.415707 3.529882 -2.060267 2.197965
info: new grain 130 pks, i 49483 j 2696 UBI -2.229894 -0.296885 1.884418 0.105700 -1.657206 -2.421689 2.389013 -3.234992 2.316632
info: new grain 133 pks, i 49482 j 2693 UBI 2.714584 -0.727202 0.848714 -0.458640 2.500237 -1.467803 -0.655709 2.236866 4.014769
info: new grain 142 pks, i 49480 j 30984 UBI -1.530392 -1.910864 -1.618143 2.672010 0.850634 -0.870770 1.893785 -3.516929 2.363358
info: new grain 142 pks, i 49479 j 30535 UBI -1.784269 1.377470 -1.881183 2.367432 -1.420827 -0.995174 -2.516200 -3.875511 -0.452149
info: new grain 148 pks, i 49476 j 30532 UBI -1.169089 -2.446023 -1.128545 1.771944 1.673093 -1.638744 3.662210 -2.433486 1.478809
info: new grain 139 pks, i 49475 j 2686 UBI -1.292672 -2.618218 -0.312897 1.871226 0.969216 -2.046144 3.515484 -2.006775 2.265558
info: new grain 149 pks, i 49474 j 2685 UBI 0.993022 1.978099 1.929939 -0.346261 0.744444 -2.819391 -4.356810 1.322821 0.885083
info: new grain 154 pks, i 49449 j 31377 UBI 2.260503 -1.872080 0.098015 0.284048 2.571500 -1.383921 1.456569 1.963328 3.945975
info: new grain 142 pks, i 49396 j 3443 UBI 1.387402 0.856455 -2.441719 -1.831438 -2.294554 -0.078832 -3.523354 2.847590 -1.002341
info: new grain 134 pks, i 49383 j 30817 UBI -2.869870 0.285268 0.547112 1.435129 2.112621 -1.448408 -0.977811 -2.095305 -4.023880
info: new grain 124 pks, i 49372 j 2949 UBI 1.361732 2.063800 1.583681 -0.574623 -2.621990 1.189063 4.107387 -1.572815 -1.482109
info: new grain 130 pks, i 49371 j 2948 UBI 1.835717 -2.272511 -0.286573 -1.856276 0.108911 2.271977 -3.189523 -2.261488 -2.499313
info: new grain 138 pks, i 49337 j 31180 UBI 0.020490 2.705334 1.138597 1.343249 -2.196378 1.410414 3.930301 0.933843 -2.287182
info: new grain 134 pks, i 49294 j 2799 UBI 2.587900 -1.117959 -0.821325 -1.433882 1.845849 -1.778057 2.179110 3.590829 1.972110
info: new grain 132 pks, i 49289 j 31073 UBI -2.696108 0.142413 -1.153167 0.487210 0.992670 2.719929 0.950650 4.210121 -1.706136
info: new grain 132 pks, i 49270 j 2741 UBI -1.080700 2.446763 -1.208676 -0.483438 -0.572567 2.838947 3.888696 2.272231 1.119156
info: new grain 138 pks, i 49266 j 2730 UBI -1.634517 -2.383792 -0.516478 2.817227 0.051793 -0.820199 1.234140 -1.738003 4.121957
info: new grain 142 pks, i 49241 j 3577 UBI 2.373890 1.277362 -1.164527 -0.902356 0.752227 2.690171 2.681698 -3.318663 1.826585
info: new grain 140 pks, i 49235 j 3114 UBI 1.689232 -2.142176 -1.089664 -2.385214 0.879000 -1.467514 2.547994 3.157962 -2.248811
info: new grain 133 pks, i 49229 j 3549 UBI 1.367040 -2.378884 1.043435 1.491117 1.977424 -1.579636 1.050213 2.307512 3.885960
info: new grain 136 pks, i 49225 j 3093 UBI 2.192736 -0.717887 1.818340 0.524386 0.347377 -2.867520 0.891762 4.497623 0.705612
info: new grain 141 pks, i 49205 j 3059 UBI 2.056874 -1.891010 -0.904039 -0.837196 2.205644 -1.748392 3.292703 2.705240 1.836890
info: new grain 142 pks, i 49204 j 3057 UBI -0.802492 2.429793 -1.436992 0.353070 -2.520996 -1.462170 -4.464929 -1.044178 0.727584
info: new grain 150 pks, i 49180 j 3010 UBI -2.043791 1.262795 -1.687661 -0.368606 -0.113112 2.909047 2.164947 4.082503 0.430306
info: new grain 135 pks, i 49171 j 31285 UBI 0.337023 -2.869382 -0.531075 -2.453834 0.978095 1.279773 -1.956353 0.545073 -4.171590
info: new grain 128 pks, i 49167 j 2986 UBI 1.560004 1.249093 -2.150121 -1.816539 -2.226553 -0.605957 -3.448085 3.014800 -0.747260
info: new grain 133 pks, i 49163 j 2982 UBI 2.321287 -0.469121 1.735108 0.194857 -0.512014 -2.883864 1.394324 4.374377 -0.684010
info: new grain 140 pks, i 49141 j 3393 UBI 1.837499 -0.762405 2.160053 0.543555 -0.849941 -2.756586 2.447088 3.877566 -0.712930
info: new grain 132 pks, i 49139 j 2942 UBI 2.121814 -0.884259 1.824358 -2.620607 0.783121 1.065523 -1.477617 -4.382390 -0.407590
info: new grain 136 pks, i 49132 j 2930 UBI -1.612067 0.166999 2.450024 -1.067275 -1.364387 -2.368795 1.837059 -3.996927 1.478048
info: new grain 134 pks, i 49128 j 2924 UBI 1.941225 -1.220646 1.834023 0.011323 -0.725071 -2.844193 2.985886 3.446675 -0.864292
info: new grain 130 pks, i 49091 j 30696 UBI 0.666573 2.485139 -1.415806 -2.053319 -1.798880 -1.080305 -3.248652 2.252517 2.425719
info: new grain 135 pks, i 49083 j 3285 UBI 0.903816 1.754301 -2.173611 1.210010 0.223095 2.665467 3.213019 -3.129155 -1.194068
info: new grain 136 pks, i 49080 j 2829 UBI 2.257414 -0.746620 -1.720049 -1.730100 2.253104 -0.744302 2.755032 2.895382 2.358009
info: new grain 160 pks, i 49079 j 31121 UBI 2.267565 1.862526 0.093821 -2.524470 0.820707 -1.255686 -1.499538 1.622241 4.080482
info: new grain 134 pks, i 49074 j 3266 UBI -0.504364 -2.064832 2.024756 0.891490 -0.768453 -2.689338 4.420010 0.280026 1.386246
info: new grain 129 pks, i 49073 j 3265 UBI -0.847453 2.637403 -0.967036 2.708465 -0.974399 -0.579510 -1.535161 -1.933507 -3.930710
info: new grain 134 pks, i 49072 j 2816 UBI -2.207061 -0.208486 -1.924853 -0.550951 0.720827 2.792326 0.501565 4.489922 -1.059207
info: new grain 140 pks, i 49067 j 2810 UBI 1.617044 0.324872 2.429858 -2.832422 -0.741687 0.208874 1.163801 -4.490358 -0.169825
info: new grain 135 pks, i 49059 j 31091 UBI -1.762367 -1.747530 -1.569260 -0.652095 0.615375 2.796017 -2.434080 3.698531 -1.385234
info: new grain 147 pks, i 49055 j 2789 UBI -0.574902 2.138064 -1.927729 1.747668 -2.231032 -0.762668 -3.686875 -2.370015 -1.526587
info: new grain 143 pks, i 49049 j 3216 UBI -0.092145 2.044036 -2.105177 0.612961 0.768305 2.766674 4.521334 -0.644479 -0.824055
info: new grain 138 pks, i 49047 j 30610 UBI 1.426434 1.812704 -1.815916 -2.626764 -1.069353 -0.758062 -2.063601 3.640133 2.008392
info: new grain 146 pks, i 49045 j 2761 UBI 0.032522 -2.250203 1.883455 -0.062300 2.756438 1.007939 -4.640837 -0.092926 -0.028167
info: new grain 152 pks, i 49042 j 2757 UBI -1.660527 -0.249823 -2.407776 -1.255780 0.545195 2.594517 0.416117 4.560958 -0.759154
info: new grain 132 pks, i 49034 j 3194 UBI -2.637238 0.235877 -1.267012 0.204860 -0.373350 2.904760 0.131023 4.602716 0.583076
info: new grain 129 pks, i 49031 j 31033 UBI -0.773811 -1.892260 2.106631 1.404248 -0.961763 -2.391286 4.073637 0.690218 2.114499
info: new grain 135 pks, i 49026 j 30569 UBI -0.838416 -2.137408 -1.827313 0.433979 -0.585056 2.844564 -4.448043 0.990252 0.885940
info: new grain 150 pks, i 49024 j 2719 UBI 1.061221 2.701039 -0.436357 -2.589572 -0.361286 1.336575 2.145917 -0.178378 4.111513
info: new grain 134 pks, i 49023 j 31010 UBI 0.941199 -1.654621 -2.234916 1.081434 -0.424001 2.695366 -3.362436 -3.080307 0.864393
info: new grain 152 pks, i 49020 j 3159 UBI -1.381666 1.445684 2.150279 -1.274986 -0.294553 -2.628174 -1.966855 -3.963568 1.399518
info: new grain 141 pks, i 49019 j 3156 UBI -0.005282 -2.247025 -1.889843 0.725488 -0.446479 2.808997 -4.450298 -0.842717 1.015865
info: new grain 128 pks, i 49013 j 30990 UBI 1.007308 1.921781 -1.978734 0.984339 0.087289 2.764392 3.409291 -2.942905 -1.120068
info: Number of orientations with more than 80 peaks is 313
info: Time taken 0.078/s
info: UBI for best fitting
[[ 0.67176219 -2.10153188 1.93531565]
[ 0.19246114 2.8246226 0.77490115]
[-4.41473914 -0.09389218 1.43219195]]
info: Unit cell: (2.934816406223321, 2.935303373522786, 4.642188185433007, 90.02131207104127, 89.98567581032765, 119.99830844593016)
info: Indexes 176 peaks, with <drlv2>=0.007520
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 15639
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: 514
info: Number of peaks in ring 2: 1539
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 514
info: Time taken 0.001679 /s
info: Scoring 514 potential orientations
info: new grain 150 pks, i 31419 j 16496 UBI -0.975290 2.439334 -1.309641 -1.903508 -2.044486 0.898510 -0.301731 2.091520 4.133438
info: new grain 139 pks, i 31400 j 16918 UBI -0.060129 2.780671 -0.936903 2.402113 -1.052367 1.319883 1.671291 -1.348600 -4.114667
info: new grain 136 pks, i 31395 j 16472 UBI -1.848926 -2.054649 -0.989533 -1.022722 2.633988 0.796353 0.603283 1.544518 -4.334464
info: new grain 146 pks, i 31391 j 15143 UBI -2.284994 1.433043 -1.161768 2.561156 1.383195 0.375025 1.331271 -1.317676 -4.245707
info: new grain 136 pks, i 31385 j 44307 UBI -2.109030 -0.901423 -1.831862 -0.702770 1.005999 2.667033 -0.350812 4.298519 -1.714522
info: new grain 124 pks, i 31378 j 42975 UBI 2.346119 1.531715 -0.874380 0.232682 -2.884444 0.498806 -1.093120 -0.854146 -4.428621
info: new grain 147 pks, i 31359 j 16436 UBI 1.251459 0.500043 2.607741 1.389477 0.776114 -2.468133 -2.023772 4.170792 0.172415
info: new grain 146 pks, i 31337 j 15973 UBI 2.446775 0.077434 1.621638 0.139602 0.487715 -2.889829 -0.629686 4.540889 0.731421
info: new grain 141 pks, i 31334 j 43374 UBI 2.848786 -0.631285 0.317040 -1.892119 -2.103726 -0.787485 0.720780 1.023465 -4.468461
info: new grain 146 pks, i 31330 j 44696 UBI 2.031227 1.476261 -1.519716 0.194014 -0.173185 2.924929 2.518426 -3.876198 -0.396963
info: new grain 135 pks, i 31326 j 44250 UBI -0.705460 -1.223001 -2.574355 2.728991 -0.263091 1.053765 -1.221728 -3.902890 2.192145
info: new grain 149 pks, i 31321 j 16400 UBI 1.224627 2.531777 0.843381 1.695774 -2.236391 -0.858359 -0.178393 1.541751 -4.373780
info: new grain 128 pks, i 31320 j 43801 UBI -0.792912 -2.170580 -1.810083 0.567924 -0.576116 2.821672 -4.458837 0.747727 1.052387
info: new grain 124 pks, i 31310 j 16389 UBI 1.118862 2.708290 0.187067 1.717014 -2.333388 0.469472 1.062618 -0.128093 -4.514903
info: new grain 155 pks, i 31290 j 43330 UBI 2.804422 0.851046 0.165242 -2.071552 1.917565 -0.808089 -0.625757 1.194356 4.440960
info: new grain 138 pks, i 31269 j 16791 UBI -1.546617 -1.587360 1.926968 -0.577628 -0.206541 -2.871401 3.081531 -3.448664 -0.371309
info: new grain 132 pks, i 31266 j 42426 UBI -2.071324 1.616984 1.307352 0.430475 0.227365 -2.895267 -3.096780 -3.380534 -0.726439
info: new grain 134 pks, i 31258 j 14574 UBI 1.756000 0.101992 2.351737 0.768341 1.394468 -2.466585 -2.194205 3.816844 1.470226
info: new grain 127 pks, i 31250 j 15446 UBI -1.038844 0.555059 -2.689023 -1.857213 -0.534234 2.208993 -0.130335 4.533164 0.986742
info: new grain 124 pks, i 31246 j 16768 UBI -2.530030 0.095088 1.486765 0.903862 2.348774 -1.511464 -2.261148 -1.542385 -3.747818
info: new grain 132 pks, i 31239 j 15876 UBI -1.263427 -0.255155 2.637499 -0.574409 2.336716 -1.684901 -3.563413 -2.267386 -1.924034
info: new grain 130 pks, i 31231 j 16753 UBI -2.356296 -1.707067 0.381216 2.680580 -1.195349 -0.086274 0.371504 0.505954 4.598843
info: new grain 145 pks, i 31229 j 15866 UBI 2.555321 0.443880 1.375951 -0.561174 -2.594392 -1.254975 1.873894 1.513999 -3.966021
info: new grain 131 pks, i 31226 j 42388 UBI 1.827653 0.643564 2.203900 0.146267 1.506230 -2.517739 -3.071059 3.063143 1.652424
info: new grain 139 pks, i 31220 j 14537 UBI -0.313900 1.573549 -2.458129 1.014223 1.276965 2.441490 4.340346 -1.075994 -1.240649
info: new grain 144 pks, i 31219 j 16300 UBI -2.080064 -1.786461 -1.052026 2.648549 -1.070973 0.673081 -1.448801 -0.863221 4.321459
info: new grain 130 pks, i 31215 j 43257 UBI -0.641898 -2.744682 -0.820040 2.779327 0.745932 0.581651 -0.611957 -1.186025 4.445039
info: new grain 158 pks, i 31206 j 16287 UBI -2.683431 -0.080474 1.187779 1.440268 -2.501059 -0.545128 1.872386 0.150422 4.242808
info: new grain 136 pks, i 31192 j 14509 UBI 0.861213 0.472611 -2.768265 -1.240820 2.168896 1.542374 4.181320 1.306130 1.525163
info: new grain 131 pks, i 31185 j 16267 UBI 1.358464 -2.462742 -0.843842 -2.933287 0.130614 0.003675 0.064628 1.539180 -4.377736
info: new grain 133 pks, i 31182 j 43224 UBI -1.616937 -1.990653 -1.427991 2.727285 -0.665853 0.855918 -1.651332 -1.562182 4.047237
info: new grain 136 pks, i 31174 j 15812 UBI 1.787396 -0.924658 2.138247 0.679784 -0.518432 -2.808572 2.307242 4.021943 -0.182857
info: new grain 153 pks, i 31159 j 14916 UBI 2.829611 -0.263242 -0.731727 -1.985820 0.698908 -2.046018 0.652970 4.505663 0.906422
info: new grain 125 pks, i 31158 j 16240 UBI 0.416844 1.924617 2.176168 -0.158080 0.937633 -2.777365 -4.592970 0.504225 0.432880
info: new grain 127 pks, i 31155 j 15352 UBI -0.500669 2.496384 1.459254 -2.242996 -1.490761 -1.166912 -0.459872 -2.397487 3.948461
info: new grain 135 pks, i 31149 j 14906 UBI -1.866433 0.496928 -2.211322 2.823363 -0.572514 -0.564074 -0.962865 -4.533552 -0.207923
info: new grain 126 pks, i 31147 j 15344 UBI 0.603465 -0.938285 -2.715111 -1.163568 -1.844600 1.964504 -4.260949 1.226735 -1.369372
info: new grain 136 pks, i 31143 j 15781 UBI 2.645828 -0.587057 -1.131677 -0.996120 2.762349 0.053973 1.922401 0.609895 4.178050
info: new grain 130 pks, i 31140 j 16222 UBI -0.320729 -2.490259 -1.520102 2.625107 0.722494 1.099264 -1.020361 -2.263341 3.921802
info: new grain 153 pks, i 31135 j 42737 UBI 0.065902 -1.516303 -2.513059 2.504696 0.668962 1.374635 -0.254478 -3.970049 2.391244
info: new grain 141 pks, i 31131 j 43173 UBI -1.247242 -0.010838 -2.658307 -0.366991 -2.286813 1.803481 -3.792414 2.002714 1.771997
info: new grain 128 pks, i 31123 j 14880 UBI -2.011973 -0.425108 -2.093479 -0.175362 -1.483271 2.528746 -2.597869 3.393783 1.808393
info: new grain 138 pks, i 31120 j 14877 UBI 1.541796 -1.026017 2.275074 1.254411 0.210455 -2.647132 1.389819 4.311007 1.004875
info: new grain 122 pks, i 31119 j 16201 UBI -1.671797 1.203546 -2.091362 0.790542 -2.820547 -0.194619 -3.813769 -1.228795 2.341548
info: new grain 143 pks, i 31117 j 14874 UBI -2.492486 -1.336741 -0.780647 -0.055833 2.788569 0.921919 0.582237 1.456368 -4.366617
info: new grain 131 pks, i 31102 j 42704 UBI -0.448643 -0.067207 -2.900701 -0.628456 -2.354905 1.637451 -4.313797 1.586929 0.630601
info: new grain 142 pks, i 31100 j 43144 UBI -0.995950 2.315788 1.502310 2.603185 0.137426 -1.354483 -2.077857 1.590795 -3.831769
info: new grain 141 pks, i 31099 j 14416 UBI 1.232717 0.926396 -2.497304 -2.194114 1.531799 1.212375 3.071762 2.477556 2.438030
info: new grain 132 pks, i 31098 j 16182 UBI 2.665047 -0.755357 0.972356 -0.577643 2.798111 -0.674501 -1.373033 0.768260 4.365308
info: new grain 134 pks, i 31097 j 16623 UBI 2.230467 0.738766 1.760576 -0.363542 1.377683 -2.567327 -2.686950 3.162060 2.076576
info: new grain 141 pks, i 31094 j 14851 UBI 0.494277 -2.564153 1.341984 -2.676112 0.624901 -1.031799 1.121555 -1.916700 -4.075550
info: new grain 133 pks, i 31089 j 43574 UBI 1.422550 0.525091 -2.514891 -1.026582 2.236579 1.602502 4.016781 0.186482 2.313923
info: new grain 149 pks, i 31088 j 44459 UBI 2.427469 -0.860836 -1.410149 -0.177880 -0.277758 2.916897 -1.805783 -4.243174 -0.516916
info: new grain 137 pks, i 31087 j 15727 UBI -0.608599 0.831989 -2.748259 -2.182470 -0.512269 1.896901 0.105717 4.446879 1.325047
info: new grain 134 pks, i 31086 j 43130 UBI 0.281038 0.663807 -2.844463 -0.500695 2.127508 1.958385 4.574693 0.549859 0.575844
info: new grain 126 pks, i 31083 j 43127 UBI -1.534427 -2.432869 0.584602 2.931538 -0.107441 -0.131111 0.237600 0.941074 4.538651
info: new grain 137 pks, i 31081 j 15721 UBI -0.240260 0.416540 -2.896434 -1.239674 1.899101 1.863386 3.902139 2.510493 0.037610
info: new grain 143 pks, i 31076 j 15275 UBI -0.542596 2.873660 -0.246218 -2.133593 -1.946079 -0.525604 -1.238756 0.146136 4.471203
info: new grain 137 pks, i 31071 j 16597 UBI -0.428333 -1.440331 2.522179 2.563784 1.335851 -0.506432 -1.641267 3.882566 1.939970
info: new grain 130 pks, i 31066 j 42671 UBI -0.328363 1.940439 2.178676 0.826198 0.911429 -2.665500 -4.450843 0.576886 -1.182862
info: new grain 129 pks, i 31062 j 15702 UBI 0.572043 -0.327583 2.861244 1.887455 -1.024886 -2.002518 2.229553 4.069011 0.020454
info: new grain 136 pks, i 31057 j 43101 UBI -1.408547 0.381500 -2.546491 -0.409481 -2.459474 1.548330 -3.529132 2.005282 2.252451
info: new grain 132 pks, i 31056 j 14376 UBI 1.761051 -0.367347 2.320580 1.145339 0.208705 -2.696490 0.313272 4.603178 0.489659
info: new grain 150 pks, i 31046 j 16571 UBI -2.545818 1.340053 0.596438 0.914248 -0.242314 -2.778351 -2.222256 -4.054867 -0.377231
info: new grain 128 pks, i 31045 j 44415 UBI -2.040065 -0.335129 -2.084808 -0.705164 1.263505 2.554297 1.104360 4.154186 -1.749759
info: new grain 140 pks, i 31044 j 42649 UBI 2.732179 1.038628 0.284921 -0.566363 -2.821872 0.577799 0.870201 -1.078863 -4.427966
info: new grain 148 pks, i 31043 j 14803 UBI -0.916381 -1.413114 -2.401942 0.979179 -1.520749 2.312842 -4.308161 -0.143131 1.726921
info: new grain 135 pks, i 31042 j 15681 UBI -1.017585 -0.742417 -2.650339 -0.397046 -1.804141 2.282914 -4.026716 2.103039 0.955501
info: new grain 144 pks, i 31037 j 16120 UBI 0.318118 -2.648819 1.227156 1.210289 2.356406 1.262679 -3.879752 0.671964 2.456817
info: new grain 143 pks, i 31032 j 44402 UBI -0.936155 0.909696 2.629312 1.123417 -2.695034 -0.305737 4.233973 1.657937 0.932826
info: new grain 157 pks, i 31031 j 43959 UBI 2.224722 1.612827 1.033098 -2.401678 1.317000 -1.057483 -1.907382 -0.079098 4.230463
info: new grain 128 pks, i 31030 j 14791 UBI -1.143957 2.154475 -1.633766 -0.352900 0.021783 2.914483 3.926435 2.431994 0.458567
info: new grain 129 pks, i 31029 j 14350 UBI 2.706080 -0.049289 1.136574 -0.377972 -0.237708 -2.902340 0.257455 4.614573 -0.411226
info: new grain 137 pks, i 31028 j 14789 UBI -0.562479 -1.993410 -2.079995 1.972320 2.119521 -0.491367 3.349018 -2.722174 1.705170
info: new grain 136 pks, i 31027 j 15668 UBI -2.834250 0.727921 -0.229157 2.018695 2.085042 0.447903 0.502132 0.499887 -4.585809
info: new grain 125 pks, i 31024 j 14785 UBI 0.993076 0.378189 2.736803 -1.346387 -2.501268 -0.739166 4.081661 -1.836183 -1.226381
info: new grain 129 pks, i 31018 j 43505 UBI -0.606147 2.424499 1.540118 -2.154930 -1.855928 -0.723995 0.689472 -2.337767 3.950759
info: new grain 139 pks, i 31016 j 14337 UBI 0.539997 2.085657 1.995369 -0.632478 0.745682 -2.766484 -4.514999 0.147504 1.069392
info: new grain 134 pks, i 31015 j 15216 UBI 0.685027 -2.264922 -1.738923 -0.960049 -0.484659 2.731469 -4.369386 -0.124346 -1.558227
info: new grain 161 pks, i 31013 j 14334 UBI 1.917351 0.798009 2.074000 -2.845215 -0.274379 0.662847 0.684250 -4.460492 1.082499
info: new grain 130 pks, i 31006 j 14327 UBI -2.542248 1.441197 0.281001 0.123741 -2.461210 -1.596015 -0.998326 -2.502446 3.779078
info: new grain 138 pks, i 31003 j 14324 UBI -1.817877 -1.161619 1.990856 -0.593355 -0.266006 -2.863097 2.398996 -3.970964 -0.128142
info: new grain 132 pks, i 30996 j 43483 UBI 0.921622 0.587989 -2.724076 1.933149 -0.773750 2.067751 -0.555035 -4.464071 -1.149199
info: new grain 128 pks, i 30995 j 43482 UBI -1.435397 0.195095 2.553789 1.364799 2.355001 -1.101108 -3.872885 1.181540 -2.266121
info: new grain 132 pks, i 30993 j 14754 UBI -1.345039 1.884078 -1.805193 1.015789 0.926275 2.593040 4.076526 1.029979 -1.963348
info: new grain 138 pks, i 30988 j 15630 UBI -0.616581 -0.774835 -2.763995 -2.167727 0.323183 1.952127 -0.384459 4.475794 -1.170404
info: new grain 128 pks, i 30987 j 15188 UBI 1.672349 -0.405512 -2.379740 0.639918 2.148944 1.893493 2.701430 -2.908940 2.398953
info: new grain 118 pks, i 30967 j 43454 UBI -2.022920 -0.223883 2.113636 -0.543734 -1.088707 -2.670371 1.803095 -4.075596 1.294541
info: new grain 136 pks, i 30965 j 43011 UBI -0.933678 -1.543425 -2.315737 -1.408521 -0.207925 2.566705 -2.765041 3.524648 -1.230486
info: new grain 150 pks, i 30942 j 15063 UBI 2.855064 -0.050497 -0.675516 -2.014348 -0.182198 -2.129514 -0.007614 4.623910 -0.384925
info: new grain 134 pks, i 30927 j 16894 UBI 1.045290 2.362691 -1.396811 0.700564 -0.473013 2.811025 3.716548 -2.431185 -1.339604
info: new grain 121 pks, i 30920 j 42526 UBI 0.486413 1.850876 -2.226030 0.203575 0.950516 2.769964 4.503218 -1.119270 0.053107
info: new grain 138 pks, i 30910 j 14671 UBI -1.728212 0.145955 -2.367402 -1.179418 0.094016 2.687235 0.382532 4.625698 0.006792
info: new grain 131 pks, i 30895 j 15097 UBI 0.285277 -2.818310 -0.765295 2.375545 1.579579 0.697401 -0.473010 -1.254981 4.443380
info: new grain 139 pks, i 30877 j 42485 UBI -2.035591 1.836609 -1.054470 -0.813904 -2.385663 1.503512 0.152010 2.434495 3.946710
info: new grain 134 pks, i 30868 j 15952 UBI 1.873429 -0.098343 2.258835 0.898791 0.996687 -2.611774 -1.242821 4.302242 1.216043
info: new grain 146 pks, i 30780 j 16308 UBI 2.522021 0.354780 1.462127 0.027276 -0.308743 -2.919749 -0.364785 4.598297 -0.491715
info: new grain 147 pks, i 30754 j 44570 UBI 2.072668 1.353700 -1.577979 0.512946 -0.698534 2.804380 1.677251 -4.119742 -1.329502
info: new grain 112 pks, i 30742 j 16272 UBI 0.103963 -1.053186 -2.740681 1.642043 -1.220039 2.108144 -3.457063 -2.929719 0.995135
info: new grain 124 pks, i 30740 j 16712 UBI 0.839289 0.889325 2.669207 1.863760 -1.498504 -1.702142 1.542811 3.985467 -1.808776
info: Number of orientations with more than 80 peaks is 413
info: Time taken 0.070/s
info: UBI for best fitting
[[ 0.67176219 -2.10153188 1.93531565]
[ 0.19246114 2.8246226 0.77490115]
[-4.41473914 -0.09389218 1.43219195]]
info: Unit cell: (2.934816406223321, 2.935303373522786, 4.642188185433007, 90.02131207104127, 89.98567581032765, 119.99830844593016)
info: Indexes 176 peaks, with <drlv2>=0.007520
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 4058
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: 397
info: Number of peaks in ring 2: 114
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 284
info: Time taken 0.000506 /s
info: Scoring 284 potential orientations
info: new grain 120 pks, i 44784 j 3127 UBI -1.227455 -0.826583 2.535594 -1.673879 1.070751 -2.158562 -0.579332 -4.292325 -1.674161
info: new grain 132 pks, i 44728 j 30916 UBI 1.783828 -2.330034 -0.072135 1.063578 2.640902 0.717196 -0.922073 -0.844663 4.469896
info: new grain 161 pks, i 44724 j 3067 UBI 1.898176 2.054976 0.885882 0.903803 -2.769042 -0.380502 1.040263 0.947178 -4.422457
info: new grain 127 pks, i 44582 j 3369 UBI 0.837620 1.930303 2.045899 -0.941272 0.947675 -2.614833 -4.344622 0.161707 1.624424
info: new grain 148 pks, i 44560 j 2898 UBI 2.191144 1.951672 0.102532 -2.607498 0.776887 -1.101418 -1.383608 1.329204 4.225853
info: new grain 145 pks, i 44556 j 3342 UBI -1.805936 -1.994817 1.173549 2.772035 -0.726778 -0.636526 1.317718 1.309198 4.252676
info: new grain 133 pks, i 44538 j 30721 UBI 2.556074 -0.481502 1.359995 -0.833424 2.742759 -0.625805 -2.133529 0.288715 4.113998
info: new grain 134 pks, i 44506 j 2844 UBI -2.914666 0.305013 -0.179746 1.163879 -2.613354 0.654822 -0.165387 1.058858 4.516567
info: new grain 138 pks, i 44495 j 2833 UBI -0.196038 0.681441 2.849640 2.156067 1.137655 -1.636405 -2.708330 3.615662 -1.053089
info: new grain 134 pks, i 44493 j 3279 UBI 0.983925 -2.191556 1.688555 -0.126013 2.732737 1.066486 -4.321359 -0.785193 1.497188
info: new grain 127 pks, i 44483 j 2820 UBI -2.331309 -1.244663 -1.278225 0.172391 0.130274 2.928299 -2.160539 4.106516 -0.056180
info: new grain 160 pks, i 44474 j 30656 UBI -2.221460 -1.512977 -1.179623 2.289888 -1.422429 1.163700 -2.136595 -0.074040 4.118669
info: new grain 145 pks, i 44450 j 31079 UBI -0.689288 -2.514272 1.348937 2.676246 0.360798 -1.152278 1.497920 1.751961 4.027913
info: new grain 134 pks, i 44448 j 2784 UBI -0.030962 -0.360655 -2.913329 0.529766 2.650234 1.145814 4.545595 -0.937188 0.066947
info: new grain 134 pks, i 44445 j 2781 UBI -2.902406 -0.066320 -0.442769 1.397964 -2.404560 0.938607 -0.701758 1.309102 4.396136
info: new grain 154 pks, i 44443 j 3227 UBI -0.747733 -2.728926 -0.780477 2.712853 0.557409 0.969700 -1.374767 -0.866894 4.348845
info: new grain 139 pks, i 44434 j 31063 UBI -2.359334 -1.740231 0.180343 -0.281965 2.756456 -0.965292 0.737443 -1.447879 -4.347085
info: new grain 129 pks, i 44396 j 2733 UBI -1.957161 2.020334 0.839209 2.727794 0.809591 -0.723563 -1.332757 0.540837 -4.412569
info: new grain 152 pks, i 44390 j 31020 UBI -0.667862 2.110006 -1.929798 -1.155813 0.060820 2.698869 3.609505 2.505518 1.490678
info: new grain 134 pks, i 44389 j 2726 UBI 2.413492 -1.356887 0.977185 -2.517273 -1.488111 -0.259291 1.124297 -1.140033 -4.356324
info: new grain 138 pks, i 44381 j 3166 UBI -1.413787 -0.146684 2.569435 0.422645 2.598295 -1.296813 -4.036358 -0.465134 -2.243674
info: new grain 127 pks, i 44379 j 2716 UBI -1.208886 2.494557 -0.968673 -1.577417 -1.857061 1.635405 1.419846 2.182876 3.843715
info: new grain 148 pks, i 44377 j 3162 UBI 0.978532 -2.450287 1.289891 -1.228104 -0.131294 -2.663141 4.163441 0.633309 -1.951421
info: new grain 133 pks, i 44368 j 3153 UBI -2.252105 -1.758248 0.673539 2.742112 -1.046553 0.040317 0.393864 1.206428 4.465140
info: new grain 117 pks, i 44351 j 2688 UBI 2.278834 1.710658 0.705910 -2.228003 1.098229 -1.559476 -2.139161 1.234490 3.929035
info: new grain 130 pks, i 44241 j 3024 UBI -2.176227 -1.117145 -1.622240 -0.615506 1.547352 2.418224 -0.114587 3.893379 -2.523534
info: new grain 131 pks, i 43616 j 30685 UBI -1.582404 -1.089483 2.222178 0.388196 -1.583514 -2.441285 3.840367 -1.861703 1.818844
info: new grain 120 pks, i 43552 j 30619 UBI 2.703270 -0.991742 -0.566300 -0.441811 2.861844 0.491159 0.702928 -0.671809 4.538303
info: new grain 136 pks, i 43451 j 31412 UBI -1.174509 2.687931 -0.091714 2.452452 -0.477364 1.539249 2.545160 0.985162 -3.756507
info: Number of orientations with more than 80 peaks is 442
info: Time taken 0.020/s
info: UBI for best fitting
[[ 0.67176219 -2.10153188 1.93531565]
[ 0.19246114 2.8246226 0.77490115]
[-4.41473914 -0.09389218 1.43219195]]
info: Unit cell: (2.934816406223321, 2.935303373522786, 4.642188185433007, 90.02131207104127, 89.98567581032765, 119.99830844593016)
info: Indexes 176 peaks, with <drlv2>=0.007520
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 831
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: [(-2, 0, 0), (-2, 2, 0), (0, -2, 0), (0, 2, 0), (2, -2, 0), (2, 0, 0)]
info: Ring 2: [(-2, 0, 0), (-2, 2, 0), (0, -2, 0), (0, 2, 0), (2, -2, 0), (2, 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: 26
info: Number of peaks in ring 2: 26
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 4
info: Time taken 0.000043 /s
info: Scoring 4 potential orientations
info: new grain 126 pks, i 48784 j 20495 UBI -0.770139 -1.775376 -2.208221 1.203824 -1.119680 2.433137 -4.218461 -0.491191 1.866925
info: Number of orientations with more than 80 peaks is 443
info: Time taken 0.001/s
info: UBI for best fitting
[[ 0.67176219 -2.10153188 1.93531565]
[ 0.19246114 2.8246226 0.77490115]
[-4.41473914 -0.09389218 1.43219195]]
info: Unit cell: (2.934816406223321, 2.935303373522786, 4.642188185433007, 90.02131207104127, 89.98567581032765, 119.99830844593016)
info: Indexes 176 peaks, with <drlv2>=0.007520
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 725
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: [(-2, 0, 0), (-2, 2, 0), (0, -2, 0), (0, 2, 0), (2, -2, 0), (2, 0, 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: 74
info: Number of peaks in ring 2: 20
info: Minimum number of peaks to identify a grain 80
info: Number of trial orientations generated 52
info: Time taken 0.000098 /s
info: Scoring 52 potential orientations
info: new grain 147 pks, i 44754 j 48528 UBI -0.542248 -0.250705 -2.873690 -2.227999 0.159342 1.904467 -0.015619 4.624189 -0.404357
info: new grain 143 pks, i 44476 j 20984 UBI -1.093019 -1.562472 -2.232869 0.483863 2.877195 -0.319246 4.306482 -0.889185 -1.489004
info: new grain 166 pks, i 44475 j 49068 UBI -2.754192 0.984415 0.242582 1.370109 -1.114724 2.343214 1.600279 4.225281 1.068498
info: new grain 146 pks, i 44441 j 20967 UBI 0.659078 -2.128607 1.912636 -1.570244 2.322048 0.870978 -3.912801 -2.227278 -1.127791
info: new grain 138 pks, i 44392 j 20723 UBI -2.645595 -0.642501 -1.096572 2.173553 0.820642 -1.795853 1.276274 -4.435819 -0.484244
info: Number of orientations with more than 80 peaks is 448
info: Time taken 0.003/s
info: UBI for best fitting
[[ 0.67176219 -2.10153188 1.93531565]
[ 0.19246114 2.8246226 0.77490115]
[-4.41473914 -0.09389218 1.43219195]]
info: Unit cell: (2.934816406223321, 2.935303373522786, 4.642188185433007, 90.02131207104127, 89.98567581032765, 119.99830844593016)
info: Indexes 176 peaks, with <drlv2>=0.007520
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 216
info: Tried r1=4 r2=6 attempt 9 of 144, got 448 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: [(-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 0.000037 /s
info: Scoring 20 potential orientations
info: new grain 136 pks, i 44775 j 14724 UBI 0.915314 2.777949 0.246550 1.956899 -2.184237 -0.131577 0.108029 0.375139 -4.625432
info: new grain 134 pks, i 44419 j 42214 UBI 2.563513 -1.422113 0.161674 -0.049096 2.933293 -0.004967 -0.291816 0.001906 4.631503
info: Number of orientations with more than 80 peaks is 450
info: Time taken 0.001/s
info: UBI for best fitting
[[ 0.67176219 -2.10153188 1.93531565]
[ 0.19246114 2.8246226 0.77490115]
[-4.41473914 -0.09389218 1.43219195]]
info: Unit cell: (2.934816406223321, 2.935303373522786, 4.642188185433007, 90.02131207104127, 89.98567581032765, 119.99830844593016)
info: Indexes 176 peaks, with <drlv2>=0.007520
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 0
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: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for 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 10 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=(111414, 3), dtype=float64) (111414, 3) float64
info: Assign to rings, maximum d-spacing considered: 0.949511
info: Ring assignment array shape (111414,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( 0, -1, -4) 12 1292 0 1292 N/A N/A -56.55
info: Ring 10 ( -2, 0, -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 ( 0, -2, -1) 12 8676 0 8676 N/A N/A -48.14
info: Ring 7 ( 1, -2, -2) 12 9420 0 9420 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 ( -1, 0, -3) 12 14148 0 14148 N/A N/A -44.46
info: Ring 4 ( -2, 1, 0) 6 10584 0 10584 N/A N/A -39.83
info: Ring 3 ( -1, 0, -2) 12 21386 0 21386 N/A N/A -33.92
info: Ring 2 ( 0, -1, -1) 12 21496 0 21496 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 ( -1, 0, 0) 6 10748 0 10748 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 (111414, 3)
info: Assign to rings, maximum d-spacing considered: 0.949511
info: Ring assignment array shape (111414,)
info: Ring ( h, k, l) Mult total indexed to_index ubis peaks_per_ubi tth
info: Ring 11 ( 0, -1, -4) 12 1292 0 1292 N/A N/A -56.55
info: Ring 10 ( -2, 0, -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 ( 0, -2, -1) 12 8676 0 8676 N/A N/A -48.14
info: Ring 7 ( 1, -2, -2) 12 9420 0 9420 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 ( -1, 0, -3) 12 14148 0 14148 N/A N/A -44.46
info: Ring 4 ( -2, 1, 0) 6 10584 0 10584 N/A N/A -39.83
info: Ring 3 ( -1, 0, -2) 12 21386 0 21386 N/A N/A -33.92
info: Ring 2 ( 0, -1, -1) 12 21496 0 21496 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 ( -1, 0, 0) 6 10748 0 10748 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 (111414, 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 0.001885 /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 0.007676 /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 0.004545 /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 0.018280 /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 2854
info: Time taken 0.013590 /s
info: Scoring 2854 potential orientations
info: new grain 296 pks, i 105404 j 82309 UBI 0.236220 -2.810854 0.810942 -1.950342 1.752218 1.322109 -3.197542 -1.180588 -3.152446
info: new grain 282 pks, i 105402 j 54448 UBI 2.083509 1.484754 1.442624 -2.832644 0.526989 0.558780 0.042630 -3.264493 3.299220
info: new grain 282 pks, i 105394 j 110043 UBI 0.336798 -2.570927 -1.375413 1.785296 2.245558 -0.626754 2.923648 -1.395063 3.323382
info: new grain 248 pks, i 105390 j 110041 UBI -0.316265 2.918831 -0.006767 1.917179 -1.273025 -1.822363 -3.311795 -0.364167 -3.230539
info: new grain 301 pks, i 105389 j 82304 UBI 2.720500 0.884400 0.659766 -2.315356 1.341659 1.209313 0.115641 -2.995766 3.543312
info: new grain 288 pks, i 105385 j 110038 UBI -2.692408 0.450019 1.083608 2.180020 1.845418 0.673638 -1.054550 2.597197 -3.698494
info: new grain 298 pks, i 105378 j 110084 UBI -0.414128 2.675473 -1.135786 2.154502 -0.452612 1.943679 2.912328 -1.018858 -3.464460
info: new grain 268 pks, i 105377 j 26591 UBI -2.512438 -0.915508 -1.208621 1.237853 2.503533 -0.907027 2.399175 -2.347600 -3.207103
info: new grain 282 pks, i 105373 j 82297 UBI -2.705761 -0.408790 -1.062000 0.497918 2.113729 1.977144 0.892886 2.997152 -3.428466
info: new grain 299 pks, i 105368 j 54435 UBI 0.407927 -2.874177 -0.436133 1.412629 1.954432 -1.674406 3.522580 0.041938 3.021670
info: new grain 250 pks, i 105365 j 82293 UBI 0.572277 2.198182 -1.860471 -2.183297 0.253809 1.946768 2.954151 1.831522 3.074720
info: new grain 254 pks, i 105363 j 82182 UBI 1.501734 -2.047809 1.473190 -2.070188 -0.797197 -1.922790 3.178602 -0.101357 -3.380306
info: new grain 271 pks, i 105362 j 82291 UBI 2.110945 -1.771699 -1.013468 0.544540 1.787882 2.265168 -1.368182 -3.314298 2.944503
info: new grain 302 pks, i 105361 j 82290 UBI -2.346082 -0.136605 -1.758311 0.312061 -1.935869 2.185273 -2.305495 2.845176 2.852606
info: new grain 278 pks, i 105360 j 110136 UBI -1.321489 -1.964961 1.735871 1.859665 -0.900778 -2.084824 3.519709 0.290779 3.010781
info: new grain 284 pks, i 105355 j 26471 UBI 2.268466 -1.849484 0.222980 -2.044683 -0.427620 -2.063150 2.431425 2.627645 -2.952896
info: new grain 292 pks, i 105347 j 26578 UBI -2.874443 -0.373876 0.466071 1.464495 -1.877920 -1.715321 0.943623 -2.639668 3.699178
info: new grain 268 pks, i 105346 j 54424 UBI -1.824390 -1.847614 1.367928 2.880084 -0.098373 0.559071 -0.559013 3.085799 3.422573
info: new grain 263 pks, i 105343 j 82171 UBI 1.055678 2.664674 -0.638135 -1.721822 -0.372544 2.347022 3.740219 -0.858787 2.609423
info: new grain 302 pks, i 105342 j 110016 UBI -1.933848 1.863010 1.188605 2.089886 1.003893 -1.798369 -2.823627 -0.618953 -3.632148
info: new grain 272 pks, i 105339 j 54418 UBI -2.885479 0.153738 0.519504 1.854248 1.720031 1.490797 -0.410887 3.275922 -3.262726
info: new grain 274 pks, i 105334 j 54416 UBI 2.742619 -0.901184 -0.526539 -1.244497 2.006910 -1.742991 1.634689 3.382538 2.726465
info: new grain 264 pks, i 105333 j 54415 UBI -2.834856 0.052315 0.759710 1.940628 1.646808 1.459837 -0.730493 3.493545 -2.969610
info: new grain 256 pks, i 105332 j 26567 UBI 0.787143 2.085802 -1.910359 1.858098 -0.829250 2.116601 1.759988 -3.243187 -2.814760
info: new grain 264 pks, i 105329 j 54412 UBI -2.571289 -1.194886 0.754140 0.151065 1.834975 -2.288359 0.840868 -3.587208 -2.821160
info: new grain 272 pks, i 105326 j 54410 UBI -2.283669 -1.034662 -1.528917 1.223174 -1.640557 2.104013 -2.913949 1.825580 3.117753
info: new grain 306 pks, i 105325 j 54298 UBI 2.008936 -1.926292 0.937887 -0.366406 2.544305 1.413113 -3.179966 -1.982136 2.741456
info: new grain 284 pks, i 105320 j 110114 UBI -2.922096 0.099908 0.262647 1.694892 1.467141 1.894062 -0.121819 3.718590 -2.775109
info: new grain 244 pks, i 105313 j 54402 UBI 2.915125 -0.352626 -0.010868 -1.675090 -1.569988 -1.829258 0.391026 3.325408 -3.212771
info: new grain 268 pks, i 105312 j 82261 UBI 1.854878 1.795476 -1.397353 0.911823 -1.520635 2.339685 1.289872 -3.491263 -2.773549
info: new grain 267 pks, i 105308 j 26441 UBI -0.791961 -2.654228 0.975224 1.683774 0.244232 -2.393168 3.800221 -0.155898 2.657844
info: new grain 267 pks, i 105305 j 82146 UBI 2.341323 1.050280 1.428683 -2.617388 1.288576 0.323610 -0.933346 -2.794977 3.584768
info: new grain 266 pks, i 105303 j 110102 UBI 2.499454 0.280688 1.512222 -0.453603 1.624485 -2.403648 -1.948278 3.311482 2.605020
info: new grain 264 pks, i 105302 j 109990 UBI -1.395776 2.139939 1.442282 2.648457 -0.891678 0.902651 2.000751 3.162270 -2.745406
info: new grain 266 pks, i 105299 j 82143 UBI -1.773909 -1.242575 1.982645 -1.137058 1.524518 -2.236742 -0.152200 -3.867645 -2.559512
info: new grain 299 pks, i 105297 j 110100 UBI -2.714633 1.101105 -0.187547 1.969338 1.241268 1.790932 1.370157 2.789895 -3.446196
info: new grain 261 pks, i 105274 j 54274 UBI -2.229830 1.854723 0.454630 2.419747 0.180798 1.651917 1.854004 2.974651 -3.042604
info: new grain 284 pks, i 105273 j 82134 UBI 2.554022 1.217877 0.783942 -0.053041 -2.114102 -2.035411 -0.512123 3.207754 -3.314797
info: new grain 256 pks, i 105270 j 26537 UBI -0.013669 2.659452 -1.243468 1.680259 -0.511748 2.352156 3.493700 -1.278891 -2.774160
info: new grain 270 pks, i 105265 j 26535 UBI -0.285095 2.487782 -1.534774 -1.723896 -2.298328 -0.597509 -3.115761 1.539214 3.075848
info: new grain 261 pks, i 105263 j 82129 UBI -1.120092 2.622351 0.696173 2.309431 -1.049638 1.478879 2.865866 2.029126 -3.034470
info: new grain 281 pks, i 105262 j 26421 UBI 0.642739 -2.728791 0.870950 -2.190045 1.472514 1.285765 -2.977872 -1.699158 -3.126264
info: new grain 256 pks, i 105261 j 26420 UBI 2.782316 -0.934975 0.069323 -0.752005 2.240667 -1.740299 0.916539 2.980566 3.438587
info: new grain 280 pks, i 105255 j 82123 UBI 0.481314 2.706585 -1.030349 1.397549 -0.922483 2.410252 3.469332 -1.617318 -2.626954
info: new grain 307 pks, i 105253 j 26415 UBI -2.562400 -0.640681 1.281796 0.885584 -1.524344 -2.346044 2.144409 -3.031254 2.780815
info: new grain 258 pks, i 105246 j 26522 UBI 2.161187 -0.572642 -1.902747 -0.504322 -1.827809 2.241477 -2.959996 -2.415525 -2.634490
info: new grain 270 pks, i 105233 j 54365 UBI -2.875521 0.082641 0.575308 1.808439 1.917984 1.289630 -0.621884 2.952958 -3.528031
info: new grain 308 pks, i 105231 j 26517 UBI -2.019849 -0.586926 2.048942 2.548546 -1.456528 -0.010961 1.861585 3.236077 2.758856
info: new grain 313 pks, i 105230 j 54363 UBI 2.369624 -1.584982 -0.705985 -2.564899 -0.526163 -1.324430 1.074003 3.075885 -3.304618
info: new grain 288 pks, i 105224 j 110066 UBI -2.561499 -1.340030 -0.514084 2.432107 -0.903188 -1.374477 0.852363 -2.966304 3.465678
info: new grain 256 pks, i 105221 j 26511 UBI 2.367741 1.578159 -0.720685 -2.452068 0.214277 -1.602400 -1.476038 3.457260 2.721577
info: new grain 262 pks, i 105218 j 82106 UBI -2.353168 -1.650587 -0.599809 2.424869 -0.248858 -1.637497 1.587357 -3.298243 2.851409
info: new grain 289 pks, i 105217 j 54244 UBI 0.380642 -2.889881 -0.361004 -2.072544 1.408682 -1.527405 3.059763 0.830301 -3.387938
info: new grain 280 pks, i 105215 j 54243 UBI -0.897621 2.073944 -1.874209 2.683897 -1.158997 -0.268829 -1.699443 -3.275356 -2.813899
info: new grain 287 pks, i 105214 j 82214 UBI -1.267265 2.355060 -1.211148 -1.536173 -1.724249 1.812690 1.356926 2.584946 3.607458
info: new grain 264 pks, i 105212 j 54240 UBI 2.271635 -0.231629 1.844331 -2.427015 -1.585253 0.457645 1.751559 -3.428493 -2.590672
info: new grain 277 pks, i 105209 j 54238 UBI -1.946452 1.328875 -1.751259 1.224463 1.478695 2.219778 3.443458 1.353773 -2.801551
info: new grain 293 pks, i 105201 j 109943 UBI -1.884599 -2.231107 0.315529 2.150588 -0.166534 -1.990487 2.793845 -1.908027 3.175443
info: new grain 272 pks, i 105198 j 54235 UBI -0.904523 -2.630932 0.937473 2.630545 1.020064 0.808346 -1.916231 1.988864 3.730543
info: new grain 266 pks, i 105197 j 82207 UBI -2.507223 -1.326857 -0.757644 0.650652 2.645576 -1.094980 2.148643 -2.013140 -3.586368
info: new grain 300 pks, i 105192 j 54344 UBI 2.625712 -0.686011 1.120462 -1.258646 2.564428 0.673738 -2.074244 -1.978971 3.650760
info: new grain 300 pks, i 105188 j 82092 UBI 1.465014 2.505013 -0.448729 0.478892 -2.313789 -1.742785 -3.358486 1.453189 -2.853876
info: new grain 284 pks, i 105185 j 82091 UBI -2.520591 0.385189 -1.456714 2.323247 1.685166 -0.616263 1.376343 -3.069122 -3.194943
info: new grain 278 pks, i 105171 j 82112 UBI -2.921051 -0.082401 -0.263445 1.267299 2.090548 1.626661 0.256945 2.742368 -3.735470
info: new grain 275 pks, i 105126 j 26550 UBI 2.412490 1.650357 -0.292630 -1.875316 0.513628 2.198339 2.352368 -2.953864 2.696505
info: new grain 287 pks, i 105108 j 26572 UBI -2.680164 -0.793921 -0.898978 0.309260 2.149140 1.976083 0.226049 3.119849 -3.427783
info: new grain 276 pks, i 105104 j 26570 UBI 0.841586 -2.412974 1.446415 -2.039437 -0.185948 -2.102483 3.321843 -0.735330 -3.156754
info: new grain 254 pks, i 105083 j 109999 UBI -0.961260 2.098149 1.814338 2.718594 -1.066923 0.299324 1.594302 3.245544 -2.909321
info: new grain 276 pks, i 105048 j 54389 UBI -2.749037 -0.866918 0.547850 0.506800 2.105734 -1.980518 0.356468 -3.218910 -3.327266
info: new grain 278 pks, i 105020 j 82121 UBI 1.004930 1.996617 -1.901498 1.710851 -0.922561 2.200714 1.639330 -3.398694 -2.701274
info: new grain 265 pks, i 105018 j 82120 UBI -2.925281 -0.193161 -0.147254 1.253501 2.022619 1.720120 -0.020374 3.014639 -3.528901
info: new grain 296 pks, i 104982 j 82213 UBI 2.353797 -1.504074 0.901641 0.311855 2.211555 -1.907261 0.542528 2.964510 3.528230
info: new grain 292 pks, i 104943 j 26603 UBI -2.647769 0.451674 -1.182427 1.186699 2.027838 1.762692 1.985172 2.028961 -3.671057
info: new grain 290 pks, i 104933 j 82196 UBI 2.606445 0.389595 1.292947 -2.401755 1.251043 1.133170 -0.730431 -3.768834 2.608580
info: new grain 272 pks, i 104926 j 110037 UBI 0.438848 -2.809898 -0.730726 -2.119639 1.547237 -1.318356 3.002015 1.320742 -3.281706
info: new grain 256 pks, i 104925 j 54329 UBI -0.965770 2.758450 -0.274724 -0.948737 -1.671992 2.218796 3.520779 1.494529 2.628159
info: new grain 276 pks, i 104916 j 54439 UBI 0.632759 2.827079 0.480918 1.365079 -1.468021 -2.145269 -3.332015 1.252085 -2.977897
info: new grain 254 pks, i 104904 j 26479 UBI -2.822571 0.502122 0.630371 2.095773 1.633987 1.247494 -0.251038 3.011194 -3.523363
info: new grain 256 pks, i 104903 j 110141 UBI -1.495315 1.656275 1.910500 -0.217267 -2.924646 0.108883 3.583903 -0.158680 2.943132
info: new grain 273 pks, i 104894 j 54427 UBI 2.526598 1.054970 -1.058985 -2.546940 1.236240 -0.776408 0.306355 2.897034 3.612654
info: new grain 279 pks, i 104893 j 54315 UBI -1.654805 2.424683 0.107855 2.383332 -0.074141 -1.710168 -2.571961 -1.598422 -3.515779
info: new grain 282 pks, i 104889 j 82283 UBI 2.676390 0.225379 -1.185760 -0.740631 1.690783 2.282348 1.565710 -3.251179 2.917665
info: new grain 277 pks, i 104873 j 54411 UBI 2.741222 1.042842 -0.136257 -1.784659 0.841613 2.174054 1.482097 -3.552395 2.591656
info: new grain 232 pks, i 104862 j 110113 UBI 1.584615 2.471402 0.018869 -2.187485 -0.355989 1.925278 2.962571 -1.922408 3.010620
info: new grain 279 pks, i 104859 j 54404 UBI -0.465561 2.512677 1.444669 2.200229 -0.195883 -1.934361 -2.845028 1.418457 -3.381754
info: new grain 273 pks, i 104852 j 26443 UBI 0.074648 -2.822434 -0.804745 1.661195 1.971680 -1.404756 3.449898 -0.765536 3.007069
info: new grain 300 pks, i 104830 j 26544 UBI -2.698626 -0.616105 -0.981906 0.350524 1.784015 2.303726 0.206044 3.649570 -2.857660
info: new grain 270 pks, i 104825 j 82139 UBI 1.231309 2.158273 -1.561854 -2.021680 0.628382 2.034469 3.341127 0.408568 3.195925
info: new grain 277 pks, i 104819 j 54388 UBI -1.490376 -2.390460 0.826328 -1.190236 1.883447 -1.910102 1.871445 -2.382527 -3.516483
info: new grain 280 pks, i 104807 j 110090 UBI -2.863206 0.245484 -0.590665 0.901941 -1.723928 2.199505 -0.297759 3.586456 2.931295
info: new grain 296 pks, i 104795 j 54264 UBI -1.917429 2.095920 -0.738505 -0.315411 -2.720641 -1.062225 -2.636133 -1.121551 3.650754
info: new grain 276 pks, i 104793 j 26528 UBI 0.272862 -2.909667 0.270643 1.847272 1.492512 -1.726329 2.872360 0.604760 3.594690
info: new grain 280 pks, i 104784 j 110077 UBI 1.761805 2.338819 -0.199467 0.630073 -2.155234 1.890714 2.484421 -2.150192 -3.278963
info: new grain 280 pks, i 104772 j 54367 UBI 2.298872 -1.038201 -1.502695 -1.159739 -1.581054 2.184115 -2.886478 -2.038529 -3.008315
info: new grain 272 pks, i 104758 j 26513 UBI -1.836480 -2.244541 -0.457085 -0.499608 1.880617 2.197538 -2.532804 2.652173 -2.844939
info: new grain 273 pks, i 104739 j 54351 UBI -0.423309 -2.755158 -0.923151 1.599087 0.512371 2.407029 -3.830704 -0.283560 2.606093
info: new grain 296 pks, i 104736 j 54237 UBI -2.223524 1.186669 1.507552 0.856056 -2.749893 0.567527 2.993746 1.582789 3.172026
info: new grain 287 pks, i 104722 j 54233 UBI 2.906125 -0.406164 -0.088193 -1.219448 2.204656 -1.507680 0.501931 2.786758 3.675221
info: new grain 239 pks, i 104714 j 110048 UBI -2.798325 -0.886409 0.000787 1.887424 -1.098221 1.962093 -1.081187 3.414667 2.951131
info: new grain 292 pks, i 104691 j 110039 UBI -1.753830 -2.330733 0.327615 2.512457 0.168385 1.508844 -2.220454 2.158107 3.456741
info: Number of orientations with more than 160 peaks is 100
info: Time taken 0.150/s
info: UBI for best fitting
[[ 2.36962431 -1.58498211 -0.70598458]
[-2.5648989 -0.52616289 -1.32443031]
[ 1.07400268 3.07588477 -3.30461777]]
info: Unit cell: (2.936954526431083, 2.9342238173393818, 4.640586978800503, 89.98480461199121, 89.98835628030425, 120.00015125562805)
info: Indexes 314 peaks, with <drlv2>=0.007492
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 84490
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: 3947
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 96
info: Time taken 0.000635 /s
info: Scoring 96 potential orientations
info: new grain 248 pks, i 110129 j 48709 UBI -2.460551 0.535657 -1.508892 1.360141 -2.586641 -0.280032 -2.520212 -1.704482 3.504508
info: new grain 268 pks, i 110106 j 48672 UBI -2.309643 1.619137 0.817058 2.682480 0.658829 0.995920 0.667289 2.792491 -3.645800
info: new grain 291 pks, i 110094 j 104355 UBI 2.631370 -0.241073 1.279894 -0.310007 1.624181 -2.425481 -0.928918 3.723673 2.611624
info: new grain 275 pks, i 110088 j 48640 UBI 2.875025 0.586844 0.112094 -1.123513 -2.154642 1.647982 0.750202 -3.020910 -3.440643
info: new grain 280 pks, i 110075 j 48396 UBI -1.645958 2.010296 -1.365915 -0.517800 -2.859984 -0.428315 -2.959368 0.003761 3.571441
info: new grain 264 pks, i 110073 j 104320 UBI -2.898569 0.391662 0.237862 1.313034 -2.169051 1.480468 0.680639 2.860506 3.589900
info: new grain 267 pks, i 110069 j 21208 UBI 1.858978 -2.250612 -0.313230 -2.349152 -0.269454 1.737659 -2.483431 -1.553466 -3.600583
info: new grain 280 pks, i 110068 j 20751 UBI 1.843350 -1.963828 1.167020 -2.216631 -0.898132 -1.702631 2.731635 0.341447 -3.737174
info: new grain 257 pks, i 82273 j 104640 UBI 2.132599 -1.835765 -0.837093 -1.947893 -0.840903 2.029055 -2.753415 -1.676864 -3.338168
info: new grain 273 pks, i 54294 j 20616 UBI -2.580268 0.346749 -1.357189 0.899376 1.982777 1.969823 2.096739 2.400751 -3.371936
info: Number of orientations with more than 160 peaks is 110
info: Time taken 0.022/s
info: UBI for best fitting
[[ 2.36962431 -1.58498211 -0.70598458]
[-2.5648989 -0.52616289 -1.32443031]
[ 1.07400268 3.07588477 -3.30461777]]
info: Unit cell: (2.936954526431083, 2.9342238173393818, 4.640586978800503, 89.98480461199121, 89.98835628030425, 120.00015125562805)
info: Indexes 314 peaks, with <drlv2>=0.007492
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 81902
info: Tried r1=9 r2=6 attempt 2 of 144, got 110 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: 7871
info: Number of peaks in ring 2: 20
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 148
info: Time taken 0.007927 /s
info: Scoring 148 potential orientations
info: new grain 281 pks, i 100494 j 82201 UBI -1.760477 2.275370 -0.592913 -0.952799 -2.185150 1.710436 1.618927 2.225172 3.738420
info: new grain 255 pks, i 100345 j 82158 UBI 0.918295 -2.160233 -1.762539 1.928639 1.448716 1.674785 -0.663423 -3.069262 3.417148
info: new grain 265 pks, i 100279 j 26545 UBI 2.306942 -0.099954 -1.812177 -0.595196 -2.284755 1.747484 -2.679928 -1.840510 -3.310411
info: Number of orientations with more than 160 peaks is 113
info: Time taken 0.004/s
info: UBI for best fitting
[[ 2.36962431 -1.58498211 -0.70598458]
[-2.5648989 -0.52616289 -1.32443031]
[ 1.07400268 3.07588477 -3.30461777]]
info: Unit cell: (2.936954526431083, 2.9342238173393818, 4.640586978800503, 89.98480461199121, 89.98835628030425, 120.00015125562805)
info: Indexes 314 peaks, with <drlv2>=0.007492
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 81140
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: 3771
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 2356
info: Time taken 0.016546 /s
info: Scoring 2356 potential orientations
info: new grain 258 pks, i 87131 j 48767 UBI 2.646371 -0.368854 -1.216633 -2.420030 -0.678738 -1.515955 -0.166606 4.327575 -1.672157
info: new grain 286 pks, i 87129 j 20918 UBI 1.471478 2.029771 1.525857 -2.374321 -1.277481 1.164145 2.681531 -3.318686 1.826476
info: new grain 298 pks, i 87124 j 105177 UBI 1.434121 -0.989778 -2.361793 -2.868214 0.603336 -0.170295 0.994720 4.365182 -1.224601
info: new grain 272 pks, i 87118 j 49699 UBI 1.395450 -0.150319 2.579424 -2.352817 1.729656 -0.296376 -2.745476 -3.518135 1.280092
info: new grain 285 pks, i 87116 j 21620 UBI 2.191849 -1.046330 1.648648 -2.670020 0.360186 1.165094 -1.132585 -4.326108 -1.247973
info: new grain 284 pks, i 87113 j 77557 UBI 0.570257 1.726166 -2.305639 -0.079523 -2.915181 -0.333893 -4.536384 0.233258 -0.949861
info: new grain 270 pks, i 87111 j 21151 UBI -1.607458 -0.042767 2.456408 -0.970366 1.444269 -2.363915 -2.143019 -3.845876 -1.469567
info: new grain 264 pks, i 87110 j 48753 UBI 0.225541 -1.519314 -2.502648 0.729676 2.842013 0.062039 4.364804 -1.143306 1.086549
info: new grain 264 pks, i 87109 j 77321 UBI -1.260864 0.923828 2.484424 -1.522620 0.009338 -2.509995 -1.455280 -4.320860 0.867814
info: new grain 244 pks, i 87108 j 76857 UBI 1.011490 -0.828636 2.627691 1.314997 -0.953490 -2.446468 2.818302 3.686430 0.077624
info: new grain 261 pks, i 87106 j 77093 UBI -0.729337 1.663047 2.305852 -0.404199 1.011524 -2.727260 -4.270843 -1.814214 -0.041671
info: new grain 274 pks, i 87105 j 21385 UBI -1.872926 -1.398564 1.775392 -0.792485 0.651923 -2.749762 1.673471 -4.080409 -1.451858
info: new grain 259 pks, i 87104 j 49690 UBI -2.360793 0.159863 -1.737825 -0.165382 0.908172 2.786709 1.257861 4.268511 -1.314772
info: new grain 288 pks, i 87103 j 21843 UBI 2.286314 -0.225005 1.823320 0.443568 0.115476 -2.899609 0.275347 4.628383 0.227698
info: new grain 264 pks, i 87096 j 48527 UBI -1.943430 -0.184709 -2.193599 2.680810 1.086508 -0.501626 1.537890 -4.260197 -1.004198
info: new grain 259 pks, i 87095 j 49227 UBI 0.443684 -2.896078 -0.183486 -2.435215 1.186762 -1.130126 2.170541 0.589283 -4.060314
info: new grain 277 pks, i 87091 j 21840 UBI 1.570403 -1.553609 1.934358 0.232617 -0.565857 -2.871085 3.455014 3.081318 -0.327174
info: new grain 332 pks, i 87090 j 77314 UBI 1.128199 -1.023219 2.509089 -0.839478 2.807670 -0.195752 -4.254153 -1.170567 1.435280
info: new grain 287 pks, i 87089 j 48985 UBI 1.110572 -0.860334 -2.576238 0.974880 -1.205564 2.492619 -3.266057 -3.282718 -0.318328
info: new grain 277 pks, i 87079 j 49677 UBI 0.354895 2.523183 -1.457357 -0.850451 -2.416484 -1.435364 -4.438884 1.087566 0.801517
info: new grain 272 pks, i 87078 j 104445 UBI -1.900315 -0.731578 -2.112939 2.647316 1.051091 -0.708867 1.704038 -4.316809 -0.038814
info: new grain 283 pks, i 87076 j 104687 UBI 1.680759 1.730551 1.668817 0.386750 -0.059252 -2.910527 -3.076184 3.443190 -0.476974
info: new grain 243 pks, i 87075 j 21370 UBI -0.486297 -1.850989 2.226206 0.689875 2.801686 0.543727 -4.503229 1.119220 -0.053145
info: new grain 261 pks, i 87074 j 105382 UBI 1.602528 1.241932 -2.123573 1.186216 -0.482555 2.641484 1.400809 -4.198202 -1.395917
info: new grain 293 pks, i 87073 j 77535 UBI 1.317785 1.762625 1.942663 1.327610 -0.641846 -2.538567 -2.009979 3.686955 -1.980403
info: new grain 300 pks, i 87072 j 76377 UBI -1.642305 0.490174 2.385581 -1.201860 0.177084 -2.673219 -1.074075 -4.509033 0.185645
info: new grain 272 pks, i 87070 j 49213 UBI -1.114711 2.329931 -1.396850 1.166524 0.312378 2.675874 4.146318 0.841227 -1.905918
info: new grain 283 pks, i 87068 j 21366 UBI 0.914864 -1.990726 1.955954 -2.527472 1.429518 0.431504 -2.270078 -3.319139 -2.315939
info: new grain 296 pks, i 87063 j 48513 UBI 1.719261 1.510977 1.841313 -1.245142 -2.510226 0.877121 3.697831 -2.362689 -1.509614
info: new grain 268 pks, i 87062 j 48512 UBI 1.521105 -0.451964 -2.469965 1.259278 -0.481357 2.607933 -1.470781 -4.400710 -0.102068
info: new grain 272 pks, i 87060 j 104913 UBI -0.237576 -2.230658 -1.892046 0.817702 2.652674 -0.955202 4.447796 -1.100786 0.741690
info: new grain 259 pks, i 87058 j 76369 UBI 1.755359 -1.745226 -1.579009 -0.205994 -0.366270 2.905613 -3.512021 -2.968724 -0.623466
info: new grain 269 pks, i 87056 j 77064 UBI 2.819990 -0.239273 -0.779351 -1.283843 -2.147270 1.535791 -1.268920 -2.069831 -3.956075
info: new grain 252 pks, i 87051 j 104906 UBI 0.836341 2.328884 -1.579805 -2.224920 -1.678150 -0.923405 -2.985738 2.665828 2.348720
info: new grain 272 pks, i 87049 j 77059 UBI -1.369581 -0.940442 2.420842 -1.295763 -0.275045 -2.620063 1.945155 -4.179451 -0.525551
info: new grain 292 pks, i 87048 j 48506 UBI -2.629272 1.143236 0.636146 0.331480 -1.683473 -2.381036 -1.028319 -3.759968 2.517081
info: new grain 256 pks, i 87042 j 21811 UBI 1.438852 0.447907 2.520163 -2.650605 -1.262589 0.026697 1.985640 -4.175928 -0.392380
info: new grain 258 pks, i 87036 j 20654 UBI -2.103407 0.008889 2.046981 2.561117 1.337775 0.521211 -1.699674 3.940752 -1.765332
info: new grain 290 pks, i 87034 j 21574 UBI -1.328888 0.640505 2.538062 -0.939445 1.222063 -2.497178 -2.926887 -3.547130 -0.636669
info: new grain 284 pks, i 87031 j 21803 UBI 2.581498 0.792780 1.147400 -0.699930 0.802764 -2.736964 -1.921080 3.895845 1.634189
info: new grain 290 pks, i 87026 j 20650 UBI 1.309430 2.108395 -1.565188 1.016359 -0.697442 2.665640 2.816946 -3.162118 -1.899516
info: new grain 321 pks, i 87021 j 105117 UBI -0.567430 -1.752475 -2.284884 1.685527 2.376514 -0.356514 3.766409 -2.520524 1.003513
info: new grain 276 pks, i 87020 j 105116 UBI -1.383717 0.210955 2.580787 2.680143 -1.190921 -0.135837 1.893782 4.183148 0.670979
info: new grain 266 pks, i 87016 j 105113 UBI 1.138623 -0.758414 -2.596294 -1.752840 2.345868 0.204896 3.694704 2.684570 0.833908
info: new grain 267 pks, i 87013 j 20643 UBI 1.594097 0.633394 2.380917 -1.541413 -2.497628 -0.113794 3.654130 -2.166577 -1.867559
info: new grain 258 pks, i 87011 j 20641 UBI -0.802882 1.876713 2.110319 -0.315068 -2.890897 0.407978 4.266990 -0.211247 1.810347
info: new grain 272 pks, i 87009 j 48487 UBI 1.494082 1.420707 2.089096 -0.397464 -2.903405 0.195358 3.944015 -0.697626 -2.343232
info: new grain 290 pks, i 87008 j 20639 UBI 1.360193 1.492260 2.130368 -1.984166 -2.055421 0.681280 3.354911 -3.205308 0.103274
info: new grain 278 pks, i 87001 j 104648 UBI 2.906422 0.251900 -0.336481 -1.400514 -2.351820 -1.056306 -0.656534 2.201918 -4.032528
info: new grain 277 pks, i 87000 j 104647 UBI -2.149290 0.725968 -1.861982 2.789342 -0.018492 -0.915552 -0.437937 -4.451647 -1.234224
info: new grain 249 pks, i 86996 j 104644 UBI -0.474797 1.789377 -2.276897 0.347707 -2.880608 -0.445419 -4.576745 -0.621895 0.463664
info: new grain 276 pks, i 86990 j 105099 UBI -1.585549 -2.457261 -0.261371 -1.109977 2.320209 1.415883 -1.786019 1.577108 -3.982668
info: new grain 246 pks, i 86989 j 105098 UBI -2.010132 -0.715089 2.017639 2.495999 1.314470 0.814411 -2.009968 4.149873 -0.532653
info: new grain 252 pks, i 86984 j 105096 UBI 2.754502 -1.013207 0.056985 -0.926033 1.607465 -2.274425 1.374029 3.865438 2.174163
info: new grain 260 pks, i 86983 j 49388 UBI -1.050473 -1.700253 2.151970 -0.455933 2.899277 0.064812 -3.948642 -0.567860 -2.370069
info: new grain 282 pks, i 86979 j 76554 UBI 2.209753 -1.912387 0.279256 -2.666329 -0.681565 1.018941 -1.092610 -1.865233 -4.107766
info: new grain 285 pks, i 86977 j 77021 UBI 2.722973 -0.625411 -0.902300 -0.972682 -1.049735 2.563761 -1.584643 -3.790615 -2.154563
info: new grain 288 pks, i 86975 j 76782 UBI -1.647961 0.096505 -2.427195 2.701056 1.151347 -0.012281 1.738614 -4.088519 -1.341862
info: new grain 284 pks, i 86974 j 21311 UBI 2.745744 0.592720 -0.854246 -1.795361 -1.505509 -1.768828 -1.454242 3.974842 -1.906442
info: new grain 276 pks, i 86971 j 105089 UBI 1.408197 1.857167 1.785679 -0.257930 0.621356 -2.858647 -3.987577 2.216678 0.843562
info: new grain 291 pks, i 86968 j 76547 UBI -2.097016 1.100519 1.734666 2.510104 -0.976160 1.168112 1.855028 4.232684 -0.443852
info: new grain 256 pks, i 86967 j 76546 UBI 0.225102 -2.234934 -1.890410 -1.601175 -0.299701 2.442356 -3.744969 1.539316 -2.266443
info: new grain 269 pks, i 86964 j 20837 UBI -0.032746 -2.104686 2.048250 -0.208520 2.820536 0.787897 -4.622666 -0.249254 -0.331224
info: new grain 302 pks, i 86963 j 77239 UBI -1.551469 1.139996 -2.218452 2.156000 -1.916045 -0.547469 -3.030044 -3.499181 0.323493
info: new grain 270 pks, i 86958 j 21529 UBI -0.674314 -1.183025 2.601226 1.679001 2.404913 -0.129248 -3.796571 2.659355 0.226240
info: new grain 260 pks, i 86957 j 48460 UBI 1.857035 0.533735 -2.208811 -2.896358 0.020413 -0.479893 -0.130054 4.533769 0.986563
info: new grain 289 pks, i 86954 j 20612 UBI -2.403986 -1.555362 -0.643722 0.268370 2.758417 -0.970794 2.040784 -1.560328 -3.866201
info: new grain 267 pks, i 86952 j 21064 UBI -2.288640 -1.774598 -0.472953 2.661103 -0.739463 -0.997640 0.886708 -2.202726 3.987083
info: new grain 285 pks, i 86947 j 77004 UBI -0.376633 2.646217 1.216132 -0.801489 -0.464115 -2.786078 -4.230927 -1.258371 1.429389
info: new grain 272 pks, i 86944 j 105309 UBI 2.154597 -1.766458 0.922624 -2.367079 0.429082 1.682816 -2.094404 -3.612612 -2.025540
info: new grain 272 pks, i 86940 j 48902 UBI -0.847865 0.803057 -2.691958 -1.323429 1.144888 2.357283 3.093616 3.460777 0.058053
info: new grain 266 pks, i 86937 j 76529 UBI -0.547004 1.777799 2.270924 -1.106124 0.618885 -2.648246 -3.800591 -2.461929 1.014033
info: new grain 247 pks, i 86932 j 21751 UBI 1.879113 1.139949 -1.946510 1.013739 -1.394219 2.376878 -0.004309 -4.003036 -2.346976
info: new grain 284 pks, i 86927 j 21046 UBI 1.014404 1.276894 2.440734 -0.702489 -2.851178 0.017607 4.340341 -1.075638 -1.239844
info: new grain 256 pks, i 86925 j 77454 UBI 1.081269 1.643234 2.179193 -0.415944 1.176209 -2.657198 -4.308097 1.224173 1.216695
info: new grain 252 pks, i 86921 j 21044 UBI 0.837391 1.930460 2.046241 -0.941449 0.947831 -2.614378 -4.344768 0.161875 1.624537
info: new grain 292 pks, i 86920 j 49591 UBI 2.080209 2.007196 0.509906 -2.069976 -0.511728 2.017084 2.676797 -3.266618 1.923115
info: new grain 249 pks, i 86919 j 48890 UBI 1.338836 -1.551638 -2.100683 0.211467 -0.839186 2.805806 -3.805386 -2.609779 -0.494940
info: new grain 322 pks, i 86917 j 21511 UBI -0.235729 1.527619 2.495522 0.307835 1.406130 -2.559561 -4.612672 0.102782 -0.498677
info: new grain 228 pks, i 86914 j 77215 UBI -0.398942 -2.072711 -2.041441 2.130531 1.993105 -0.328000 2.951606 -2.784530 2.250639
info: new grain 268 pks, i 86912 j 20813 UBI 0.678109 -1.519300 2.417009 -0.608822 2.865657 0.191535 -4.489478 -0.997557 0.627490
info: new grain 285 pks, i 86910 j 76747 UBI 1.648316 1.633932 1.797824 -2.187241 -1.627609 1.088467 2.925231 -3.559128 0.554354
info: new grain 279 pks, i 86907 j 49351 UBI 2.225935 1.786934 0.679072 0.108321 -1.619482 -2.448007 -2.038855 3.438469 -2.361637
info: new grain 269 pks, i 86906 j 105289 UBI 0.577679 -2.245115 -1.799977 -0.094809 -0.431862 2.902284 -4.536923 -0.939004 -0.289154
info: new grain 247 pks, i 86905 j 48884 UBI -1.919339 0.104252 -2.219092 -0.414754 1.667505 2.380080 2.455042 3.415008 -1.963847
info: new grain 284 pks, i 86902 j 104827 UBI 1.544889 2.312011 0.936469 -2.301414 -0.952786 1.554444 2.790933 -2.831743 2.394866
info: new grain 272 pks, i 86901 j 104826 UBI 0.290149 -2.534428 -1.454393 -0.634955 -0.015989 2.866106 -4.530379 0.056612 -1.003086
info: new grain 292 pks, i 86896 j 48434 UBI -2.029278 -1.530643 1.466221 -0.546336 0.916917 -2.734591 1.768674 -3.953159 -1.674018
info: new grain 280 pks, i 86890 j 105046 UBI -1.822807 0.673769 -2.198973 2.452020 -1.520973 -0.540278 -2.307756 -3.967506 0.695869
info: new grain 314 pks, i 86888 j 49570 UBI 1.091893 1.634036 2.179983 -0.421360 -2.877718 0.393461 4.303664 -0.837264 -1.525062
info: new grain 279 pks, i 86885 j 76509 UBI 0.764411 2.211348 1.773872 -0.367290 -2.698489 1.093171 4.483228 -0.924381 -0.775725
info: new grain 350 pks, i 86880 j 21264 UBI 0.671878 -2.101361 1.935246 0.192232 2.824723 0.774841 -4.415020 -0.093771 1.432187
info: new grain 296 pks, i 86879 j 21025 UBI 2.608464 -1.343559 -0.034606 -2.390531 -1.407995 -0.966195 0.778032 1.619230 -4.278325
info: new grain 272 pks, i 86878 j 77193 UBI -1.970569 1.637750 -1.434766 0.764432 0.692939 2.748328 3.416852 2.684987 -1.628049
info: new grain 256 pks, i 86877 j 21023 UBI 2.028024 -0.969242 1.888284 -2.745234 0.485017 0.917714 -1.123575 -4.380657 -1.044305
info: new grain 267 pks, i 86873 j 76965 UBI 0.329581 -2.239829 1.869577 -1.271668 2.484603 0.902288 -4.143005 -1.662739 -1.264035
info: new grain 256 pks, i 86872 j 21018 UBI -1.912266 -1.080535 -1.949142 0.614432 -1.506373 2.443859 -3.467001 2.158039 2.202844
info: new grain 288 pks, i 86871 j 49102 UBI 2.786412 -0.257452 -0.887905 -1.986676 1.269436 -1.750113 0.982529 4.127619 1.879135
info: new grain 248 pks, i 86864 j 105266 UBI 2.004832 0.437097 -2.100138 0.582964 -1.818730 2.229148 -1.767776 -3.539927 -2.425088
info: new grain 256 pks, i 86861 j 21249 UBI 1.976850 -0.539929 -2.102338 0.418165 -1.044793 2.711223 -2.275656 -3.879728 -1.144438
info: Number of orientations with more than 160 peaks is 213
info: Time taken 0.146/s
info: UBI for best fitting
[[ 0.6718784 -2.10136133 1.93524578]
[ 0.19223223 2.82472312 0.77484095]
[-4.41501997 -0.09377101 1.4321869 ]]
info: Unit cell: (2.9346748118541304, 2.935369214413741, 4.642451252894849, 90.01626802363575, 89.99022692678251, 119.99940496022701)
info: Indexes 352 peaks, with <drlv2>=0.007532
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 55598
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 2308
info: Time taken 0.009171 /s
info: Scoring 2308 potential orientations
info: new grain 288 pks, i 105412 j 3128 UBI -0.376664 -2.861550 -0.533664 1.534331 0.865443 2.348573 -3.889630 0.038573 2.531260
info: new grain 284 pks, i 105411 j 31418 UBI 0.160195 1.739704 2.359924 -0.932965 1.085175 -2.562830 -4.364117 -1.112317 1.117173
info: new grain 272 pks, i 105409 j 86675 UBI 0.542465 2.850393 -0.448756 1.957867 -1.661942 1.423095 2.057529 -1.026285 -4.030607
info: new grain 248 pks, i 105408 j 31414 UBI 1.878914 1.268804 -1.864156 -2.891392 0.223279 -0.452823 -0.101923 3.883354 2.541620
info: new grain 261 pks, i 105395 j 3100 UBI -1.684770 1.016310 -2.177694 -0.498034 0.856640 2.764313 2.906951 3.569989 -0.582745
info: new grain 254 pks, i 105387 j 3083 UBI 0.762714 2.677586 -0.932639 -1.495129 -0.309060 2.507026 3.993988 -0.321728 2.339878
info: new grain 280 pks, i 105380 j 3517 UBI -0.190837 2.159261 -1.979162 1.165692 0.528959 2.641940 4.198558 -1.123832 -1.629980
info: new grain 264 pks, i 105375 j 58762 UBI 2.213969 1.249595 -1.467514 -2.414547 -0.856945 -1.434623 -1.897883 4.178196 0.695472
info: new grain 293 pks, i 105372 j 3500 UBI -2.800727 0.162056 0.861212 0.831683 1.236721 -2.531108 -0.917091 -3.959769 -2.236763
info: new grain 259 pks, i 105350 j 30869 UBI -2.176142 -1.117100 -1.622179 -0.615559 1.547339 2.418146 -0.114587 3.893461 -2.523508
info: new grain 297 pks, i 105341 j 3453 UBI 0.917867 -2.597407 -1.016323 -0.007619 2.346523 -1.763431 4.329795 1.011866 1.328039
info: new grain 274 pks, i 105338 j 31295 UBI -2.296981 -0.191531 1.819911 2.292000 1.693979 0.702206 -2.002176 3.595493 -2.144477
info: new grain 244 pks, i 105337 j 58706 UBI 1.473952 -1.479770 -2.062766 -0.574844 2.854645 -0.370110 4.003621 1.075653 2.087416
info: new grain 270 pks, i 105322 j 31265 UBI -2.870346 0.283870 0.547516 1.435519 -2.397144 0.900370 0.977668 2.095119 4.023921
info: new grain 300 pks, i 105319 j 86521 UBI -0.982105 2.164657 -1.723217 -0.098784 -2.782305 -0.935032 -4.238349 -0.462756 1.833549
info: new grain 280 pks, i 105316 j 3409 UBI 0.703727 -1.247534 -2.562812 1.716309 -0.400749 2.348256 -2.460730 -3.760658 1.153901
info: new grain 297 pks, i 105301 j 3376 UBI -2.362769 0.816794 -1.540311 -0.188686 -0.337593 2.909749 1.153180 4.456433 0.593616
info: new grain 286 pks, i 105295 j 58623 UBI -0.941964 2.594608 -0.995783 -0.415365 -2.424823 -1.601479 -4.086789 -0.682451 2.093747
info: new grain 287 pks, i 105294 j 58622 UBI 2.856682 0.638155 -0.217112 -1.999777 1.825987 -1.130615 -0.202058 2.279993 4.038756
info: new grain 267 pks, i 105287 j 86456 UBI 2.828431 0.147730 -0.775819 -0.772167 -1.358320 2.485508 -0.425407 -3.997372 -2.317909
info: new grain 276 pks, i 105286 j 3351 UBI 1.933088 -0.180131 -2.203100 0.728918 -0.965249 2.675055 -1.623044 -4.211576 -1.077502
info: new grain 280 pks, i 105279 j 31184 UBI 0.757016 2.000330 2.010542 -0.217590 0.765592 -2.826834 -4.475011 1.059493 0.631648
info: new grain 267 pks, i 105267 j 31160 UBI 1.165066 2.411667 1.202918 0.421035 -2.619123 1.259433 3.844353 -0.597517 -2.527854
info: new grain 273 pks, i 105264 j 3308 UBI -0.827177 -2.098548 -1.876990 -0.756863 -0.181183 2.830536 -3.907232 2.342553 -0.894192
info: new grain 276 pks, i 105260 j 3301 UBI -0.168386 -1.708361 -2.380394 -0.104212 2.920958 -0.279364 4.621222 0.124562 -0.418035
info: new grain 277 pks, i 105259 j 59007 UBI -1.878180 -1.608254 -1.581682 2.711096 0.501397 -1.007364 1.502152 -3.842755 2.125399
info: new grain 266 pks, i 105258 j 59003 UBI 0.576180 -1.101754 2.659202 -1.731186 2.355088 -0.268685 -3.710288 -2.767655 -0.342807
info: new grain 282 pks, i 105257 j 3293 UBI 2.683493 0.405316 -1.122130 -0.321222 -1.354646 2.584133 -0.290953 -4.087957 -2.177307
info: new grain 297 pks, i 105251 j 2835 UBI 1.649085 1.271439 -2.071658 -2.837420 -0.540795 -0.512132 -1.098817 4.178602 1.693234
info: new grain 264 pks, i 105249 j 3280 UBI 2.118761 0.440215 1.985103 -2.239656 -1.797296 0.614737 2.384534 -3.573253 -1.753930
info: new grain 267 pks, i 105248 j 31124 UBI -0.125512 2.733190 1.065896 -0.856967 -0.542099 -2.755257 -4.321460 -0.784709 1.496958
info: new grain 280 pks, i 105245 j 31115 UBI -2.430474 -0.831349 1.418777 2.456696 0.563281 1.504716 -1.277011 4.442956 0.416603
info: new grain 301 pks, i 105244 j 3269 UBI 0.594468 2.548463 -1.324524 0.249204 -0.233960 2.917323 4.436503 -1.282556 -0.482075
info: new grain 292 pks, i 105242 j 58526 UBI -1.550185 -0.438256 -2.456141 1.973223 2.167559 0.122097 3.278261 -2.896518 -1.550321
info: new grain 286 pks, i 105240 j 58521 UBI -0.423106 -1.411583 2.538920 0.821448 -1.494116 -2.390518 4.455792 0.663866 1.112208
info: new grain 279 pks, i 105235 j 58958 UBI -2.668105 0.371533 1.164390 0.579671 -2.384129 -1.614130 1.352899 -2.258140 3.822079
info: new grain 277 pks, i 105232 j 31092 UBI 2.588922 -1.116336 -0.820919 -1.153486 -0.727956 2.598859 -2.178268 -3.591761 -1.972977
info: new grain 268 pks, i 105227 j 2780 UBI -2.695613 0.142538 -1.153808 2.208984 -1.133324 -1.566935 -0.949790 -4.211274 1.704992
info: new grain 265 pks, i 105225 j 58931 UBI -1.674360 0.664816 -2.318215 -0.866823 0.753095 2.702040 2.202221 4.063121 -0.425364
info: new grain 252 pks, i 105223 j 30616 UBI 0.374628 -1.384965 -2.561567 0.821081 -1.295325 2.503609 -4.218842 -1.890425 0.404808
info: new grain 232 pks, i 105222 j 3215 UBI 0.193296 2.920135 -0.223389 1.110831 -1.369244 2.348036 4.072617 -0.434880 -2.181726
info: new grain 278 pks, i 105220 j 31055 UBI 0.147827 1.652750 2.421979 -0.809269 1.204532 -2.552596 -4.435839 -0.985213 0.940588
info: new grain 279 pks, i 105219 j 2760 UBI -2.092547 -1.247268 1.640807 -0.699471 1.275995 -2.548488 0.674150 -4.027681 -2.204176
info: new grain 245 pks, i 105216 j 86308 UBI 0.589086 1.743154 2.286275 -1.776866 0.938303 -2.140907 -3.652522 -1.744204 2.270540
info: new grain 312 pks, i 105211 j 58900 UBI 2.707606 -0.714875 -0.878787 -1.732352 1.610024 -1.740747 1.656026 3.878259 1.939134
info: new grain 264 pks, i 105204 j 3178 UBI -1.634025 -2.383145 -0.516500 -1.183620 2.329934 1.337319 -1.234196 1.739384 -4.122696
info: new grain 280 pks, i 105203 j 86728 UBI -1.492312 -1.550567 1.996010 1.962893 2.003102 0.866727 -3.321490 3.240796 0.033494
info: new grain 254 pks, i 105196 j 86707 UBI 0.999081 -2.332838 -1.476322 -0.253406 2.593149 -1.352124 4.339901 1.071576 1.245009
info: new grain 302 pks, i 105195 j 58413 UBI -0.898596 -1.451073 -2.390818 1.023186 -1.480909 2.319289 -4.291031 -0.225752 1.749053
info: new grain 276 pks, i 105194 j 3152 UBI 1.849290 -2.190577 -0.630747 -2.347455 -0.501194 1.692449 -2.499847 -1.027376 -3.770965
info: new grain 284 pks, i 105191 j 30543 UBI 1.863668 1.051125 -2.008580 -1.274264 -2.614207 -0.405035 -3.530492 2.060678 -2.198047
info: new grain 260 pks, i 105190 j 30541 UBI -2.229883 -0.296668 1.884295 0.105682 -1.657219 -2.421654 2.388800 -3.235157 2.316855
info: new grain 265 pks, i 105189 j 30538 UBI 2.714728 -0.727089 0.848880 -0.458873 2.500147 -1.467878 -0.655809 2.236760 4.014652
info: new grain 286 pks, i 105187 j 3139 UBI -1.530035 -1.910772 -1.618783 2.671281 0.850204 -0.870394 1.893417 -3.517350 2.363463
info: new grain 284 pks, i 105186 j 86242 UBI -1.784199 1.377557 -1.881175 2.367270 -1.420988 -0.995212 -2.516245 -3.875543 -0.452109
info: new grain 296 pks, i 105183 j 86239 UBI -1.169069 -2.445910 -1.128537 1.771893 1.672951 -1.638770 3.662305 -2.433453 1.478793
info: new grain 262 pks, i 105142 j 30899 UBI -1.898672 -0.151053 -2.232268 2.884746 -0.177639 -0.514251 -0.198738 -4.611856 0.478467
info: new grain 284 pks, i 105103 j 3443 UBI 1.387435 0.856416 -2.441647 -1.831502 -2.294484 -0.078905 -3.523146 2.847854 -1.002317
info: new grain 248 pks, i 105079 j 58656 UBI 1.361753 2.063891 1.583533 -0.574555 -2.622047 1.189175 4.107339 -1.572656 -1.482353
info: new grain 260 pks, i 105078 j 30793 UBI 1.835730 -2.272450 -0.286587 -1.856383 0.108866 2.271927 -3.189588 -2.261586 -2.499476
info: new grain 276 pks, i 105044 j 3335 UBI 0.020499 2.705261 1.138751 1.343289 -2.196318 1.410314 3.930242 0.934034 -2.287069
info: new grain 264 pks, i 104977 j 58448 UBI -1.080642 2.446797 -1.208600 -0.483480 -0.572587 2.838948 3.888732 2.272429 1.119076
info: new grain 271 pks, i 104969 j 2718 UBI 0.421680 2.599253 -1.297053 -1.411532 -0.148465 2.571127 4.035766 0.465840 2.242860
info: new grain 282 pks, i 104945 j 3568 UBI -0.932497 -1.544638 -2.315605 2.342653 1.751627 -0.251820 2.763782 -3.518190 1.234092
info: new grain 280 pks, i 104942 j 58821 UBI 1.689394 -2.142223 -1.089685 -2.385321 0.879168 -1.467599 2.547757 3.157854 -2.248797
info: new grain 268 pks, i 104936 j 59256 UBI 1.367245 -2.378600 1.043561 1.490706 1.977740 -1.580111 1.050150 2.307715 3.885626
info: new grain 274 pks, i 104932 j 3093 UBI 2.193250 -0.717789 1.818481 0.523789 0.347380 -2.867663 0.891633 4.497409 0.705734
info: new grain 278 pks, i 104912 j 3059 UBI 2.056468 -1.891123 -0.903987 -0.837405 2.205298 -1.748258 3.293004 2.705158 1.837103
info: new grain 284 pks, i 104911 j 3057 UBI -0.802500 2.429756 -1.436916 0.352958 -2.520977 -1.462268 -4.464873 -1.044294 0.727753
info: new grain 301 pks, i 104887 j 58717 UBI -2.043761 1.262852 -1.687607 -0.368199 -0.112756 2.909151 2.165046 4.082285 0.430615
info: new grain 270 pks, i 104878 j 86992 UBI 0.337237 -2.869346 -0.531007 -2.453934 0.978011 1.279773 -1.956222 0.545127 -4.171628
info: new grain 256 pks, i 104874 j 2986 UBI 1.560003 1.249097 -2.150102 -1.816599 -2.226523 -0.605945 -3.448047 3.014616 -0.747318
info: new grain 273 pks, i 104870 j 31275 UBI -2.321459 0.469492 -1.735180 2.516049 -0.980162 -1.148640 -1.394648 -4.375568 0.683870
info: new grain 254 pks, i 104853 j 31244 UBI -1.780020 -0.996252 2.112478 2.668288 1.011898 0.686206 -1.753291 4.263487 0.532293
info: new grain 280 pks, i 104848 j 3393 UBI 1.837507 -0.762333 2.159967 0.543567 -0.849921 -2.756534 2.446897 3.877447 -0.713131
info: new grain 262 pks, i 104846 j 30787 UBI 2.121857 -0.883555 1.824608 -2.620273 0.783983 1.066189 -1.476688 -4.381889 -0.406918
info: new grain 272 pks, i 104839 j 58637 UBI -1.611955 0.167065 2.449961 -1.067304 -1.364511 -2.368731 1.837003 -3.996858 1.478108
info: new grain 268 pks, i 104835 j 3372 UBI -1.940607 1.222165 -1.834065 1.952430 -1.945105 -1.011715 -2.985986 -3.444955 0.862896
info: new grain 260 pks, i 104812 j 2874 UBI 1.196169 -2.087780 -1.680754 -2.130956 1.709382 -1.076504 3.185314 3.027509 -1.494230
info: new grain 252 pks, i 104808 j 30714 UBI -0.143253 -1.542679 -2.494334 -1.159311 -1.087590 2.468462 -4.053557 2.017581 -1.015579
info: new grain 260 pks, i 104798 j 86403 UBI 0.666487 2.485094 -1.415841 -2.053324 -1.798913 -1.080276 -3.248608 2.252365 2.425875
info: new grain 270 pks, i 104790 j 58992 UBI 0.903740 1.754210 -2.173520 1.210005 0.223094 2.665578 3.212982 -3.129134 -1.193961
info: new grain 266 pks, i 104787 j 30674 UBI 2.257443 -0.747441 -1.720347 -1.730097 2.253279 -0.744287 2.755110 2.894842 2.357391
info: new grain 320 pks, i 104786 j 31121 UBI 2.267518 1.862553 0.093613 -2.524479 0.820706 -1.255576 -1.499518 1.622239 4.080493
info: new grain 268 pks, i 104781 j 31111 UBI -0.504359 -2.064997 2.024887 0.891506 -0.768478 -2.689322 4.419849 0.280047 1.386304
info: new grain 260 pks, i 104780 j 3265 UBI -0.847435 2.637899 -0.966634 2.708277 -0.975324 -0.580179 -1.535506 -1.932846 -3.930234
info: new grain 268 pks, i 104779 j 30661 UBI -2.207031 -0.208650 -1.924839 -0.550999 0.720787 2.792305 0.501565 4.489919 -1.059194
info: new grain 281 pks, i 104774 j 2810 UBI 1.617081 0.325072 2.429698 -2.832400 -0.741774 0.208970 1.163997 -4.490266 -0.170001
info: new grain 271 pks, i 104766 j 3246 UBI -1.762250 -1.747427 -1.569208 -0.652063 0.615508 2.796033 -2.434066 3.698639 -1.385237
info: new grain 293 pks, i 104762 j 58496 UBI -0.574978 2.137950 -1.927605 1.747778 -2.230821 -0.762822 -3.686884 -2.370077 -1.526639
info: new grain 285 pks, i 104756 j 3216 UBI -0.092110 2.044059 -2.105243 0.612794 0.768237 2.766613 4.521370 -0.644037 -0.823912
info: new grain 276 pks, i 104754 j 30610 UBI 1.426394 1.812636 -1.815891 -2.626727 -1.069289 -0.758054 -2.063539 3.640128 2.008302
info: new grain 290 pks, i 104752 j 58468 UBI 0.032690 -2.250654 1.883618 -0.062166 2.756204 1.008084 -4.640611 -0.092939 -0.028109
info: new grain 303 pks, i 104749 j 30602 UBI -1.660618 -0.249740 -2.407781 -1.255689 0.545258 2.594646 0.416047 4.560761 -0.759095
info: new grain 270 pks, i 104741 j 3194 UBI -2.637043 0.235815 -1.266868 0.203892 -0.373854 2.904441 0.131763 4.602356 0.583155
info: new grain 258 pks, i 104738 j 31033 UBI -0.773696 -1.892202 2.106558 1.404337 -0.961779 -2.391280 4.073572 0.690563 2.114679
info: new grain 271 pks, i 104733 j 86276 UBI -0.838441 -2.137439 -1.827263 0.433744 -0.585077 2.844702 -4.447792 0.990275 0.885709
info: new grain 299 pks, i 104731 j 58426 UBI 1.061398 2.700821 -0.436552 -2.589696 -0.361185 1.336586 2.145833 -0.178253 4.111474
info: new grain 270 pks, i 104730 j 86717 UBI 0.941069 -1.654521 -2.234970 1.081297 -0.424081 2.695354 -3.362741 -3.080328 0.864637
info: new grain 301 pks, i 104727 j 31004 UBI -1.380829 1.446046 2.150353 -1.275544 -0.294459 -2.627664 -1.967847 -3.963091 1.400081
info: Number of orientations with more than 160 peaks is 313
info: Time taken 0.147/s
info: UBI for best fitting
[[ 0.6718784 -2.10136133 1.93524578]
[ 0.19223223 2.82472312 0.77484095]
[-4.41501997 -0.09377101 1.4321869 ]]
info: Unit cell: (2.9346748118541304, 2.935369214413741, 4.642451252894849, 90.01626802363575, 89.99022692678251, 119.99940496022701)
info: Indexes 352 peaks, with <drlv2>=0.007532
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 31143
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: 1017
info: Number of peaks in ring 2: 3084
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 1017
info: Time taken 0.005368 /s
info: Scoring 1017 potential orientations
info: new grain 300 pks, i 87126 j 72203 UBI -0.975245 2.439275 -1.309635 -1.903626 -2.044452 0.898545 -0.301849 2.091399 4.133450
info: new grain 244 pks, i 87122 j 16050 UBI 0.541362 1.085903 2.675423 2.024313 0.225192 -2.116640 -1.805749 4.074264 -1.289936
info: new grain 286 pks, i 87107 j 43438 UBI 2.402964 -1.052201 1.320708 -2.341735 -1.728240 -0.382640 1.670934 -1.349013 -4.113944
info: new grain 273 pks, i 87102 j 72179 UBI -1.849162 -2.054577 -0.989499 -1.022506 2.633798 0.796343 0.603494 1.544469 -4.334526
info: new grain 294 pks, i 87098 j 70850 UBI -2.284930 1.433547 -1.161545 2.561046 1.382984 0.374878 1.331389 -1.317383 -4.245375
info: new grain 272 pks, i 87092 j 100014 UBI -2.109036 -0.901466 -1.831829 -0.702794 1.006074 2.667088 -0.351071 4.298523 -1.714461
info: new grain 248 pks, i 87085 j 15130 UBI 2.346216 1.531660 -0.874392 0.232619 -2.884288 0.498875 -1.093219 -0.854077 -4.428719
info: new grain 304 pks, i 87084 j 42534 UBI -0.283876 -2.572546 1.384345 2.543921 0.700858 -1.287373 1.456155 1.963721 3.945274
info: new grain 298 pks, i 87066 j 16878 UBI -1.250383 -0.499607 -2.608516 -1.389784 -0.776184 2.468368 -2.024272 4.170767 0.172840
info: new grain 291 pks, i 87044 j 71680 UBI 2.446703 0.077394 1.621379 0.139534 0.487544 -2.889902 -0.629724 4.541090 0.731456
info: new grain 283 pks, i 87041 j 99081 UBI 2.848839 -0.631105 0.317115 -1.892101 -2.103762 -0.787488 0.720801 1.023483 -4.468403
info: new grain 292 pks, i 87037 j 100403 UBI 2.031134 1.476274 -1.519672 0.194054 -0.173143 2.924899 2.518740 -3.876104 -0.396830
info: new grain 268 pks, i 87033 j 99957 UBI -0.705539 -1.223187 -2.574418 2.729010 -0.262891 1.053882 -1.221623 -3.902938 2.192080
info: new grain 298 pks, i 87028 j 72107 UBI 1.224564 2.531754 0.843308 1.695753 -2.236550 -0.858298 -0.178220 1.541837 -4.373878
info: new grain 257 pks, i 87027 j 15515 UBI 0.793089 2.170210 1.809600 -0.567154 0.575504 -2.822707 -4.458305 0.747574 1.051990
info: new grain 248 pks, i 87025 j 44684 UBI -0.330629 0.983031 2.746514 2.663504 -0.040977 -1.233814 -0.684375 4.294998 -1.619463
info: new grain 249 pks, i 87017 j 72096 UBI 1.118984 2.708110 0.187007 1.717339 -2.333260 0.469217 1.062526 -0.128418 -4.514667
info: new grain 289 pks, i 87015 j 43348 UBI 0.839901 -0.230409 -2.804536 2.016010 0.177978 2.128551 0.004969 -4.625172 0.382054
info: new grain 310 pks, i 86997 j 99037 UBI 2.804536 0.850880 0.165227 -2.071522 1.917692 -0.808103 -0.625605 1.194330 4.440827
info: new grain 282 pks, i 86976 j 44194 UBI 1.546728 1.588146 -1.926041 0.576814 0.205787 2.871031 3.081116 -3.449695 -0.371663
info: new grain 266 pks, i 86965 j 70281 UBI 1.755727 0.102361 2.351573 0.768392 1.394456 -2.466429 -2.194249 3.817023 1.470187
info: new grain 248 pks, i 86953 j 16326 UBI 2.529924 -0.095048 -1.486796 -0.903775 -2.348759 1.511495 -2.261173 -1.542320 -3.747928
info: new grain 263 pks, i 86946 j 71583 UBI -1.263528 -0.255078 2.637357 -0.574390 2.336937 -1.684904 -3.563426 -2.267392 -1.923841
info: new grain 260 pks, i 86938 j 16753 UBI -2.356120 -1.707276 0.381074 2.680535 -1.195103 -0.086078 0.371394 0.506191 4.599025
info: new grain 292 pks, i 86936 j 71573 UBI 2.555467 0.443839 1.375825 -0.561409 -2.594484 -1.254988 1.874068 1.514087 -3.966203
info: new grain 261 pks, i 86933 j 98095 UBI 1.827698 0.643786 2.203987 0.146328 1.506073 -2.517871 -3.071098 3.063007 1.652284
info: new grain 260 pks, i 86922 j 15412 UBI -0.641908 -2.744833 -0.819979 2.779232 0.745954 0.581560 -0.611964 -1.186136 4.444930
info: new grain 315 pks, i 86913 j 71994 UBI -2.683265 -0.080452 1.187774 1.440358 -2.501220 -0.545384 1.872413 0.150252 4.242626
info: new grain 275 pks, i 86899 j 14509 UBI 0.861633 0.471882 -2.767667 -1.240665 2.169274 1.541763 4.181988 1.306202 1.524741
info: new grain 263 pks, i 86892 j 44112 UBI 1.358439 -2.462866 -0.843740 -2.933052 0.130687 0.003955 0.064771 1.539088 -4.377616
info: new grain 266 pks, i 86889 j 98931 UBI -1.616939 -1.990636 -1.428066 2.727217 -0.665893 0.856016 -1.651316 -1.562215 4.047099
info: new grain 270 pks, i 86881 j 43216 UBI -1.787447 0.924613 -2.138259 -0.679564 0.518381 2.808758 2.307017 4.022078 -0.183261
info: new grain 264 pks, i 86870 j 70187 UBI -0.081169 0.710631 -2.847292 -1.351663 -2.428006 0.947080 -3.881256 2.441817 0.717345
info: new grain 307 pks, i 86866 j 16683 UBI 1.986346 -0.698923 2.046207 0.842358 0.435485 -2.778501 0.653815 4.505715 0.907137
info: new grain 250 pks, i 86865 j 16240 UBI 0.416696 1.924741 2.176147 -0.158084 0.937445 -2.777278 -4.593242 0.504505 0.432904
info: new grain 254 pks, i 86862 j 71059 UBI -0.500781 2.496457 1.458988 -2.243025 -1.490749 -1.166587 -0.459661 -2.397362 3.948102
info: new grain 268 pks, i 86856 j 70613 UBI -1.866380 0.497023 -2.211387 2.823266 -0.572818 -0.563832 -0.963016 -4.533984 -0.207525
info: new grain 254 pks, i 86854 j 15785 UBI -0.604490 0.940247 2.714184 1.163641 1.843774 -1.964531 -4.260922 1.227227 -1.369251
info: new grain 272 pks, i 86850 j 15781 UBI 2.645874 -0.586818 -1.131750 -0.996249 2.762202 0.054105 1.922285 0.609756 4.178228
info: new grain 260 pks, i 86847 j 71929 UBI -0.320590 -2.490308 -1.520201 2.625031 0.722465 1.099353 -1.020352 -2.263291 3.921768
info: new grain 306 pks, i 86842 j 42737 UBI 0.065867 -1.516326 -2.513114 2.504811 0.668726 1.374702 -0.254910 -3.970028 2.391328
info: new grain 285 pks, i 86840 j 15330 UBI -0.384997 1.579731 2.442228 1.577875 1.094851 -2.222444 -3.842939 1.859717 -1.813952
info: new grain 281 pks, i 86838 j 98880 UBI -1.247249 -0.010755 -2.658311 -0.367049 -2.286923 1.803448 -3.792316 2.002534 1.771915
info: new grain 258 pks, i 86830 j 70587 UBI -2.012105 -0.425373 -2.093430 -0.175294 -1.483421 2.528529 -2.598170 3.393226 1.808279
info: new grain 263 pks, i 86827 j 44047 UBI 1.255211 0.210264 -2.646717 -2.796033 0.815790 0.368533 1.389869 4.310644 1.004432
info: new grain 286 pks, i 86824 j 70581 UBI -2.492324 -1.336816 -0.780567 -0.056078 2.788543 0.921887 0.582355 1.456309 -4.366625
info: new grain 262 pks, i 86809 j 98411 UBI -0.448737 -0.067186 -2.900662 -0.628335 -2.354906 1.637546 -4.313862 1.587077 0.630721
info: new grain 290 pks, i 86807 j 43144 UBI -0.995745 2.316065 1.502394 2.602849 0.137075 -1.354633 -2.078376 1.590330 -3.831723
info: new grain 285 pks, i 86806 j 42261 UBI 1.232866 0.926854 -2.497583 -2.193655 1.531235 1.212971 3.072523 2.477050 2.438690
info: new grain 268 pks, i 86804 j 44468 UBI 2.230388 0.738764 1.760524 -0.363508 1.377746 -2.567372 -2.686941 3.162089 2.076574
info: new grain 282 pks, i 86801 j 14851 UBI 0.494295 -2.564225 1.341948 -2.675976 0.624928 -1.031775 1.121444 -1.916833 -4.075620
info: new grain 266 pks, i 86796 j 43574 UBI 1.422507 0.525258 -2.514755 -1.026378 2.236434 1.602439 4.016689 0.186413 2.313872
info: new grain 284 pks, i 86794 j 43131 UBI 0.610346 -0.830603 2.747921 2.181636 0.510889 -1.897305 0.106247 4.447070 1.324705
info: new grain 267 pks, i 86793 j 98837 UBI 0.281040 0.663701 -2.844469 -0.500697 2.127555 1.958455 4.574719 0.549695 0.575998
info: new grain 252 pks, i 86790 j 98834 UBI -1.534569 -2.432864 0.584522 2.931504 -0.107591 -0.131087 0.237602 0.941052 4.538746
info: new grain 276 pks, i 86788 j 44452 UBI -1.479906 2.315501 -1.033099 0.240297 -0.416763 2.896401 3.902101 2.510935 0.037807
info: new grain 272 pks, i 86787 j 71871 UBI 0.460746 2.881502 -0.321091 -0.704417 -1.088978 2.633363 4.501502 -0.613051 0.950372
info: new grain 276 pks, i 86778 j 43556 UBI -2.563102 -1.333888 0.508281 2.135517 -0.102653 2.016012 -1.640750 3.882610 1.940639
info: new grain 258 pks, i 86769 j 15702 UBI 0.571829 -0.327574 2.861325 1.887757 -1.024973 -2.002510 2.229490 4.069002 0.020073
info: new grain 269 pks, i 86764 j 43101 UBI -1.408544 0.381396 -2.546338 -0.409276 -2.459251 1.548227 -3.529753 2.005060 2.252493
info: new grain 264 pks, i 86763 j 14376 UBI 1.761095 -0.367286 2.320501 1.145352 0.208743 -2.696419 0.313268 4.603077 0.489800
info: new grain 256 pks, i 86752 j 100122 UBI -2.040120 -0.335168 -2.084834 -0.705157 1.263463 2.554295 1.104375 4.154236 -1.749686
info: new grain 279 pks, i 86751 j 42649 UBI 2.732249 1.038449 0.284988 -0.566404 -2.821635 0.577658 0.870306 -1.078810 -4.428109
info: new grain 294 pks, i 86750 j 70510 UBI -0.916573 -1.412943 -2.401776 0.979321 -1.520784 2.312838 -4.308219 -0.143180 1.727068
info: new grain 267 pks, i 86749 j 71388 UBI -1.017695 -0.742412 -2.650264 -0.397017 -1.804086 2.282927 -4.026666 2.103013 0.955690
info: new grain 274 pks, i 86744 j 14798 UBI -1.527761 0.290821 -2.490858 0.317744 -2.646956 1.226556 -3.879786 0.672941 2.456424
info: new grain 286 pks, i 86739 j 14793 UBI 0.187737 -1.785349 2.324111 0.935644 -0.909863 -2.629232 4.233593 1.657987 0.932327
info: new grain 313 pks, i 86738 j 99666 UBI 2.224502 1.612723 1.032949 -2.401667 1.317165 -1.057360 -1.907202 -0.078933 4.230574
info: new grain 257 pks, i 86737 j 42636 UBI -1.143857 2.154459 -1.633679 -0.352943 0.021715 2.914455 3.926387 2.432029 0.458407
info: new grain 256 pks, i 86736 j 42635 UBI -2.706103 0.049422 -1.136458 0.377979 0.237761 2.902342 0.257262 4.614614 -0.411326
info: new grain 287 pks, i 86735 j 15669 UBI -1.409908 -0.124665 2.571197 -0.561750 -1.995396 -2.081600 3.349599 -2.721943 1.703720
info: new grain 273 pks, i 86734 j 71375 UBI -2.834208 0.727733 -0.229188 2.018759 2.085223 0.447906 0.502096 0.499927 -4.585831
info: new grain 249 pks, i 86731 j 70492 UBI 0.993052 0.378306 2.736756 -1.346587 -2.501249 -0.739164 4.081713 -1.836325 -1.226387
info: new grain 254 pks, i 86725 j 99212 UBI -0.606457 2.424380 1.540275 -2.154900 -1.856464 -0.723667 0.689341 -2.337462 3.950534
info: new grain 280 pks, i 86723 j 14337 UBI 0.539980 2.085726 1.995363 -0.632420 0.745549 -2.766438 -4.515265 0.147472 1.069447
info: new grain 269 pks, i 86722 j 70923 UBI 0.685026 -2.264634 -1.739022 -0.960030 -0.484925 2.731513 -4.369475 -0.124123 -1.558293
info: new grain 321 pks, i 86720 j 70041 UBI 1.917305 0.798002 2.074108 -2.845203 -0.274291 0.662674 0.684112 -4.460603 1.082505
info: new grain 260 pks, i 86713 j 14327 UBI -2.542216 1.441039 0.281007 0.123712 -2.461196 -1.595993 -0.998405 -2.502447 3.779040
info: new grain 284 pks, i 86710 j 42609 UBI 1.817628 1.161461 -1.990801 0.594935 0.265600 2.862221 2.399515 -3.971341 -0.128539
info: new grain 281 pks, i 86708 j 100078 UBI 0.005053 2.246840 1.889714 -0.725481 0.446369 -2.809053 -4.450337 -0.842622 1.015862
info: new grain 262 pks, i 86703 j 99190 UBI 0.921774 0.587973 -2.724132 1.933067 -0.773771 2.067615 -0.555311 -4.464006 -1.149113
info: new grain 269 pks, i 86700 j 16076 UBI 1.015556 0.926059 2.592817 0.328997 -2.811391 -0.788318 4.075706 1.028610 -1.964197
info: new grain 255 pks, i 86697 j 98743 UBI -0.984294 -0.087250 -2.764378 1.991616 2.009101 0.785619 3.409412 -2.942778 -1.120278
info: new grain 275 pks, i 86695 j 15630 UBI -0.616439 -0.774731 -2.764074 -2.167937 0.323206 1.952244 -0.384638 4.475536 -1.170377
info: new grain 251 pks, i 86694 j 15629 UBI -1.672335 0.406116 2.379573 -0.639810 -2.149234 -1.892998 2.701257 -2.909615 2.399023
info: new grain 295 pks, i 86685 j 43906 UBI -0.347928 0.744952 -2.819039 0.994078 1.977808 1.929862 4.356758 -1.323040 -0.886149
info: new grain 249 pks, i 86634 j 14687 UBI 0.698988 -0.473497 2.812839 -1.743315 -1.888720 -1.417895 3.717194 -2.432406 -1.338166
info: new grain 276 pks, i 86617 j 42516 UBI -1.728159 0.145971 -2.367272 -1.179384 0.093983 2.687233 0.382777 4.625653 0.006635
info: new grain 256 pks, i 86602 j 43824 UBI 2.374947 1.578712 0.697304 -2.660036 1.240731 0.067544 -0.472333 -1.254372 4.443627
info: new grain 276 pks, i 86584 j 98192 UBI -2.035369 1.836336 -1.054621 -0.813997 -2.385493 1.503500 0.151539 2.434605 3.947008
info: new grain 276 pks, i 86575 j 15511 UBI -1.873293 0.095824 -2.260958 -0.898845 -0.996944 2.611550 -1.242695 4.301004 1.214754
info: new grain 272 pks, i 86525 j 70288 UBI 0.430098 0.227343 -2.894959 -2.070806 1.617178 1.307199 3.097926 3.380734 0.726033
info: new grain 292 pks, i 86487 j 72015 UBI 2.521975 0.354782 1.462006 0.027284 -0.308800 -2.919637 -0.364601 4.598413 -0.491693
info: new grain 296 pks, i 86461 j 44570 UBI 2.072817 1.353238 -1.577633 0.512611 -0.699070 2.804409 1.676991 -4.119064 -1.330081
info: new grain 223 pks, i 86449 j 71979 UBI 0.103936 -1.053344 -2.740763 1.642017 -1.220020 2.108308 -3.457132 -2.929372 0.994852
info: new grain 259 pks, i 86428 j 16251 UBI -2.556555 0.482213 -1.359948 0.834328 -2.743545 0.625124 -2.134339 0.287289 4.112714
info: new grain 288 pks, i 86385 j 72357 UBI -0.196763 0.680173 2.850560 2.155345 1.138189 -1.636152 -2.709871 3.613721 -1.052594
info: new grain 254 pks, i 86378 j 72350 UBI -0.790770 2.820524 0.194469 1.671894 -1.203231 2.091379 3.813060 1.227874 -2.343229
info: new grain 264 pks, i 86357 j 16624 UBI 0.577716 -2.798062 0.674445 -2.665086 0.755295 -0.972263 1.373098 -0.768163 -4.365383
info: new grain 310 pks, i 86347 j 71435 UBI 2.247737 -1.139654 1.507145 0.180138 0.279700 -2.915846 1.805833 4.244619 0.518320
info: Number of orientations with more than 160 peaks is 413
info: Time taken 0.132/s
info: UBI for best fitting
[[ 0.6718784 -2.10136133 1.93524578]
[ 0.19223223 2.82472312 0.77484095]
[-4.41501997 -0.09377101 1.4321869 ]]
info: Unit cell: (2.9346748118541304, 2.935369214413741, 4.642451252894849, 90.01626802363575, 89.99022692678251, 119.99940496022701)
info: Indexes 352 peaks, with <drlv2>=0.007532
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 8105
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: 788
info: Number of peaks in ring 2: 213
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 576
info: Time taken 0.001141 /s
info: Scoring 576 potential orientations
info: new grain 231 pks, i 100491 j 3127 UBI -1.227443 -0.827279 2.535732 -1.673836 1.070938 -2.158328 -0.579361 -4.292299 -1.674564
info: new grain 325 pks, i 100431 j 3067 UBI 1.898307 2.054892 0.885885 0.903648 -2.769380 -0.380808 1.040313 0.947640 -4.421864
info: new grain 295 pks, i 100267 j 58605 UBI 2.191221 1.951532 0.102581 -2.607372 0.777081 -1.101459 -1.383670 1.329245 4.225839
info: new grain 240 pks, i 100264 j 58602 UBI 0.839735 0.888698 2.669488 1.863538 -1.497612 -1.702677 1.543075 3.985248 -1.808945
info: new grain 289 pks, i 100263 j 59049 UBI -1.805667 -1.995050 1.173237 2.772026 -0.726504 -0.636429 1.317486 1.309407 4.252884
info: new grain 266 pks, i 100213 j 58551 UBI -2.914402 0.305594 -0.179699 1.163472 -2.613709 0.654805 -0.165589 1.058478 4.516528
info: new grain 252 pks, i 100190 j 30665 UBI -2.331317 -1.244712 -1.278170 0.172393 0.130195 2.928157 -2.160572 4.106563 -0.055821
info: new grain 320 pks, i 100181 j 30656 UBI -2.221418 -1.512948 -1.179668 2.289863 -1.422448 1.163758 -2.136703 -0.074107 4.118570
info: new grain 295 pks, i 100157 j 31079 UBI -0.689849 -2.515046 1.348695 2.677087 0.361948 -1.151883 1.496813 1.750325 4.027258
info: new grain 266 pks, i 100155 j 30629 UBI -0.031072 -0.360743 -2.913124 0.529825 2.650449 1.145527 4.545537 -0.937255 0.067204
info: new grain 268 pks, i 100152 j 58488 UBI -2.902480 -0.066161 -0.442674 1.397993 -2.404806 0.938519 -0.701959 1.309145 4.396029
info: new grain 308 pks, i 100150 j 31072 UBI -0.747721 -2.728843 -0.780562 2.712944 0.557313 0.969671 -1.374672 -0.867071 4.348920
info: new grain 251 pks, i 100144 j 3221 UBI -0.826080 -0.911906 2.665271 0.497680 2.852084 -0.486749 -4.451155 0.575256 -1.183042
info: new grain 278 pks, i 100141 j 86770 UBI -2.359235 -1.740288 0.180440 -0.281866 2.756569 -0.965371 0.737175 -1.447998 -4.347021
info: new grain 300 pks, i 100123 j 58908 UBI -2.545928 1.339934 0.596374 0.914306 -0.242420 -2.778325 -2.221719 -4.054952 -0.377158
info: new grain 258 pks, i 100103 j 3181 UBI 2.727677 0.809467 -0.723516 -1.957083 2.020504 0.839186 1.332700 -0.540708 4.412608
info: new grain 304 pks, i 100097 j 30572 UBI -1.154368 0.061959 2.697750 -0.668642 2.107508 -1.931415 -3.610506 -2.509608 -1.487981
info: new grain 268 pks, i 100096 j 58433 UBI 2.413417 -1.356915 0.977148 -2.517186 -1.488195 -0.259205 1.124238 -1.139941 -4.356340
info: new grain 254 pks, i 100086 j 2716 UBI -1.208939 2.494611 -0.968667 -1.577252 -1.857053 1.635492 1.419808 2.182790 3.843567
info: new grain 296 pks, i 100084 j 58869 UBI 0.978573 -2.450248 1.289708 -1.228076 -0.131416 -2.663073 4.163401 0.633663 -1.951272
info: new grain 267 pks, i 100075 j 30998 UBI -2.252193 -1.758404 0.673502 2.742065 -1.046531 0.040316 0.393793 1.206401 4.465010
info: new grain 260 pks, i 100072 j 30547 UBI 1.433291 -0.194187 -2.553179 -0.070377 2.550221 1.452452 3.877153 -1.182875 2.264385
info: new grain 241 pks, i 100058 j 2688 UBI 2.278338 1.711460 0.706399 -2.228994 1.098015 -1.559400 -2.138509 1.234233 3.928937
info: new grain 264 pks, i 99993 j 87071 UBI -1.063447 -2.641000 -0.716991 -1.783708 2.330208 0.072204 0.920787 0.844610 -4.470708
info: new grain 283 pks, i 99268 j 58490 UBI 2.133852 1.945803 0.525952 0.542132 -2.873603 0.246237 1.239631 -0.146300 -4.471046
info: new grain 240 pks, i 99259 j 86326 UBI 2.703281 -0.991725 -0.566298 -0.441678 2.861885 0.491219 0.702882 -0.671811 4.538323
info: new grain 272 pks, i 99158 j 87119 UBI -1.174540 2.687984 -0.091774 2.452472 -0.477371 1.539295 2.545282 0.985251 -3.756453
info: new grain 276 pks, i 98088 j 58633 UBI 2.080443 1.782522 1.055339 0.569061 -2.854156 -0.379217 1.452377 0.868326 -4.321119
info: Number of orientations with more than 160 peaks is 441
info: Time taken 0.036/s
info: UBI for best fitting
[[ 0.6718784 -2.10136133 1.93524578]
[ 0.19223223 2.82472312 0.77484095]
[-4.41501997 -0.09377101 1.4321869 ]]
info: Unit cell: (2.9346748118541304, 2.935369214413741, 4.642451252894849, 90.01626802363575, 89.99022692678251, 119.99940496022701)
info: Indexes 352 peaks, with <drlv2>=0.007532
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 1840
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: 68
info: Number of peaks in ring 2: 68
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 25
info: Time taken 0.000096 /s
info: Scoring 25 potential orientations
info: new grain 256 pks, i 105182 j 48769 UBI -0.579274 1.650422 2.357651 1.871356 0.968430 -2.045404 -3.516224 2.007213 -2.266078
info: new grain 249 pks, i 104491 j 20495 UBI -0.770192 -1.775317 -2.208121 1.204332 -1.119633 2.432520 -4.219238 -0.491257 1.867733
info: Number of orientations with more than 160 peaks is 443
info: Time taken 0.003/s
info: UBI for best fitting
[[ 0.6718784 -2.10136133 1.93524578]
[ 0.19223223 2.82472312 0.77484095]
[-4.41501997 -0.09377101 1.4321869 ]]
info: Unit cell: (2.9346748118541304, 2.935369214413741, 4.642451252894849, 90.01626802363575, 89.99022692678251, 119.99940496022701)
info: Indexes 352 peaks, with <drlv2>=0.007532
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 1449
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, -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: 149
info: Number of peaks in ring 2: 40
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 103
info: Time taken 0.000197 /s
info: Scoring 103 potential orientations
info: new grain 293 pks, i 100461 j 20681 UBI -0.542235 -0.250654 -2.873754 -2.228092 0.159082 1.904462 -0.015964 4.623975 -0.404094
info: new grain 286 pks, i 100183 j 76691 UBI -1.093095 -1.562277 -2.232899 0.484204 2.876909 -0.319307 4.306391 -0.889497 -1.488975
info: new grain 331 pks, i 100182 j 104775 UBI -2.754046 0.984421 0.242700 1.370033 -1.114629 2.343224 1.600264 4.225393 1.068687
info: new grain 293 pks, i 100148 j 76674 UBI 0.659226 -2.128561 1.912745 -1.570352 2.321995 0.870923 -3.912702 -2.227293 -1.127839
info: new grain 276 pks, i 100099 j 76430 UBI -2.645547 -0.642549 -1.096734 2.173406 0.820601 -1.795674 1.276611 -4.436035 -0.484383
info: Number of orientations with more than 160 peaks is 448
info: Time taken 0.006/s
info: UBI for best fitting
[[ 0.6718784 -2.10136133 1.93524578]
[ 0.19223223 2.82472312 0.77484095]
[-4.41501997 -0.09377101 1.4321869 ]]
info: Unit cell: (2.9346748118541304, 2.935369214413741, 4.642451252894849, 90.01626802363575, 89.99022692678251, 119.99940496022701)
info: Indexes 352 peaks, with <drlv2>=0.007532
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 433
info: Tried r1=4 r2=6 attempt 9 of 144, got 448 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: [(-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: 40
info: Number of peaks in ring 2: 40
info: Minimum number of peaks to identify a grain 160
info: Number of trial orientations generated 40
info: Time taken 0.000063 /s
info: Scoring 40 potential orientations
info: new grain 271 pks, i 100482 j 14724 UBI 0.915199 2.777947 0.246690 1.957007 -2.184235 -0.131774 0.108043 0.375049 -4.625457
info: new grain 267 pks, i 100126 j 97921 UBI 2.563610 -1.422025 0.161612 -0.048847 2.933251 -0.004949 -0.291302 0.001941 4.631391
info: Number of orientations with more than 160 peaks is 450
info: Time taken 0.003/s
info: UBI for best fitting
[[ 0.6718784 -2.10136133 1.93524578]
[ 0.19223223 2.82472312 0.77484095]
[-4.41501997 -0.09377101 1.4321869 ]]
info: Unit cell: (2.9346748118541304, 2.935369214413741, 4.642451252894849, 90.01626802363575, 89.99022692678251, 119.99940496022701)
info: Indexes 352 peaks, with <drlv2>=0.007532
info: That was the best thing I found so far
info: Number of peaks assigned to rings but not indexed = 0
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: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for those rings
info: no peaks left for 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 10 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(279, dtype=int64)
Refinement code#
[23]:
@jax.jit
def solve_ub_analytical(hkl_int, q_sample, mask):
"""q = UB @ h => UB = (Q^T H)(H^T H)^-1, masked rows contributing zero."""
m = mask.astype(q_sample.dtype)[:, None]
H = hkl_int * m
Qs = q_sample * m
HHT = H.T @ H # (3, 3), symmetric
QsHT = Qs.T @ H
# degenerate grains would otherwise NaN one row of the vmapped batch
HHT = HHT + (1e-12 * jnp.trace(HHT) + 1e-15) * jnp.eye(3, dtype=HHT.dtype)
return jnp.linalg.solve(HHT, QsHT.T).T
@jax.jit
def get_grain_loss_function(ubi, origin_sample, cen_obs, hkl_int, wavelength, kvecs, mask):
# NOTE: `ubi` is deliberately unused — UB is profiled out analytically below.
q_sample = detector_to_q_vec(cen_obs[:, 0], cen_obs[:, 1], cen_obs[:, 2],
wavelength, kvecs, origin_sample)
ub_fit = solve_ub_analytical(hkl_int, q_sample, mask)
ubi_fit = jnp.linalg.inv(ub_fit)
d = jnp.linalg.solve(ub_fit, q_sample.T).T - hkl_int
hkle = jnp.sqrt(jnp.sum(d * d, axis=1) + 1e-24) # NaN-safe at zero residual
mf = mask.astype(hkle.dtype)
return jnp.sum(hkle * mf) / (jnp.sum(mf) + 1e-10) + 1e-10, ubi_fit
@partial(jax.jit, static_argnums=(7,))
def refine_grain(initial_ubi, initial_origin, cen_obs, hkl_int, wavelength, kvecs, mask,
num_steps=100, learning_rate=1e-2, scaling_factor=1000.0):
x0 = initial_origin / scaling_factor
optimizer = optax.adam(learning_rate=learning_rate)
opt_state0 = optimizer.init(x0)
def objective(scaled_origin):
loss, ubi = get_grain_loss_function(
initial_ubi, scaled_origin * scaling_factor,
cen_obs, hkl_int, wavelength, kvecs, mask)
return loss, ubi
grad_fn = jax.value_and_grad(objective, has_aux=True)
def scan_body(carry, _):
x, opt_state, best_x, best_loss = carry
(loss, _), grads = grad_fn(x)
better = loss < best_loss
best_x = jnp.where(better, x, best_x)
best_loss = jnp.where(better, loss, best_loss)
updates, opt_state = optimizer.update(grads, opt_state)
x = optax.apply_updates(x, updates)
return (x, opt_state, best_x, best_loss), loss
init_carry = (x0, opt_state0, x0, jnp.asarray(jnp.inf, x0.dtype))
(_, _, best_x, _), loss_history = jax.lax.scan(
scan_body, init_carry, None, length=num_steps)
final_origin = best_x * scaling_factor
final_loss, final_ubi = get_grain_loss_function(
initial_ubi, final_origin, cen_obs, hkl_int, wavelength, kvecs, mask)
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])
# Run the refinement
# All inputs (except scalars) are (num_grains, ...) so in_axes are all 0
ubis_fit_a1, origins_sample_fit_a1, all_losses_a1 = refine_vmap(
jnp.array(idx_a1.ubis),
all_origins_a1,
compressed_a1["cen"],
compressed_a1["hkl"],
compressed_a1["wave"],
compressed_a1["kvec"],
compressed_a1["mask"],
100,
1e-2,
1000.0,
)
ubis_fit_a1.block_until_ready()
CPU times: user 9.61 s, sys: 105 ms, total: 9.72 s
Wall time: 4.13 s
[24]:
Array([[[ 2.35421367e-01, -2.81146437e+00, 8.11564644e-01],
[-1.94961915e+00, 1.75124806e+00, 1.32283110e+00],
[-3.19657850e+00, -1.17771303e+00, -3.15193640e+00]],
[[ 2.08336167e+00, 1.48382374e+00, 1.44123930e+00],
[-2.83302089e+00, 5.29667611e-01, 5.59489426e-01],
[ 4.14236832e-02, -3.26326725e+00, 3.29955803e+00]],
[[-3.15515845e-01, 2.91867584e+00, -5.89115312e-03],
[ 1.91794575e+00, -1.27288482e+00, -1.82206486e+00],
[-3.31136940e+00, -3.64890501e-01, -3.23090802e+00]],
...,
[[-2.87245699e+00, -5.94766736e-01, -1.15169685e-01],
[ 1.95768126e+00, -2.18365920e+00, -1.31875655e-01],
[-1.07762687e-01, -3.74667627e-01, 4.62456607e+00]],
[[-2.64836579e+00, 1.07197969e+00, -6.74518140e-01],
[ 5.68289114e-01, -2.85494585e+00, -3.80488356e-01],
[-1.45096384e+00, -8.65336260e-01, 4.32238036e+00]],
[[-2.51106150e+00, -1.51285564e+00, -1.57928409e-01],
[-5.17928209e-02, 2.93535063e+00, -4.51586032e-03],
[ 2.92572980e-01, -2.36683103e-03, -4.63155923e+00]]], dtype=float64)
[25]:
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 \(K_{\alpha_{2}}\)#
[26]:
%%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])
# 2. Run the refinement
# All inputs (except scalars) are (num_grains, ...) so in_axes are all 0
ubis_fit_a2, origins_sample_fit_a2, all_losses_a2 = refine_vmap(
jnp.array(idx_a2.ubis),
all_origins_a2,
compressed_a2["cen"],
compressed_a2["hkl"],
compressed_a2["wave"],
compressed_a2["kvec"],
compressed_a2["mask"],
100,
1e-2,
1000.0
)
ubis_fit_a2.block_until_ready()
CPU times: user 7.09 s, sys: 47.9 ms, total: 7.14 s
Wall time: 3.03 s
[26]:
Array([[[ 2.35408513e-01, -2.81155652e+00, 8.11310847e-01],
[-1.94965708e+00, 1.75121955e+00, 1.32331884e+00],
[-3.19630780e+00, -1.17807790e+00, -3.15176034e+00]],
[[ 2.08304877e+00, 1.48380130e+00, 1.44127394e+00],
[-2.83284117e+00, 5.29779461e-01, 5.59519777e-01],
[ 4.17271181e-02, -3.26326925e+00, 3.29950866e+00]],
[[ 3.38059471e-01, -2.57115990e+00, -1.37633908e+00],
[ 1.78398330e+00, 2.24614985e+00, -6.26099404e-01],
[ 2.92286730e+00, -1.39499957e+00, 3.32376708e+00]],
...,
[[-2.64674662e+00, -6.42530421e-01, -1.09629429e+00],
[ 2.17331318e+00, 8.21950430e-01, -1.79548250e+00],
[ 1.27721336e+00, -4.43479060e+00, -4.84375739e-01]],
[[ 9.14761505e-01, 2.77857927e+00, 2.46472048e-01],
[ 1.95773603e+00, -2.18352202e+00, -1.31512028e-01],
[ 1.07651185e-01, 3.74761311e-01, -4.62446782e+00]],
[[ 2.56268922e+00, -1.42292716e+00, 1.62524357e-01],
[-5.14980618e-02, 2.93539090e+00, -4.76793691e-03],
[-2.92337915e-01, 2.44086633e-03, 4.63169889e+00]]], dtype=float64)
Both \(K_{\alpha_{1}}\) and \(K_{\alpha_{2}}\)#
[27]:
%%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)
# Run the refinement
ubis_fit_both, origins_sample_fit_both, all_losses_both = refine_vmap(
jnp.array(idx_both.ubis),
all_origins_both,
compressed_both["cen"],
compressed_both["hkl"],
compressed_both["wave"],
compressed_both["kvec"],
compressed_both["mask"],
100,
1e-2,
1000.0
)
ubis_fit_both.block_until_ready()
CPU times: user 12.1 s, sys: 72.3 ms, total: 12.2 s
Wall time: 4.39 s
[27]:
Array([[[ 2.35412766e-01, -2.81151049e+00, 8.11437878e-01],
[-1.94963828e+00, 1.75123331e+00, 1.32307553e+00],
[-3.19644270e+00, -1.17789554e+00, -3.15184702e+00]],
[[ 2.08320503e+00, 1.48381280e+00, 1.44125748e+00],
[-2.83293133e+00, 5.29723703e-01, 5.59504287e-01],
[ 4.15752114e-02, -3.26326901e+00, 3.29953457e+00]],
[[ 3.38031138e-01, -2.57114920e+00, -1.37632611e+00],
[ 1.78394247e+00, 2.24612186e+00, -6.26174936e-01],
[ 2.92290467e+00, -1.39484413e+00, 3.32360806e+00]],
...,
[[-2.64657695e+00, -6.42555602e-01, -1.09650058e+00],
[ 2.17307828e+00, 8.21918382e-01, -1.79523816e+00],
[ 1.27769135e+00, -4.43490678e+00, -4.84579424e-01]],
[[ 9.14853389e-01, 2.77868904e+00, 2.46534772e-01],
[ 1.95766030e+00, -2.18370306e+00, -1.31557726e-01],
[ 1.07634039e-01, 3.74671298e-01, -4.62448196e+00]],
[[ 2.56277215e+00, -1.42271081e+00, 1.62484040e-01],
[-5.16458624e-02, 2.93537120e+00, -4.64220328e-03],
[-2.92455556e-01, 2.40350857e-03, 4.63162775e+00]]], dtype=float64)
[28]:
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.
[29]:
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], struc.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(struc.lattice_parameters) for f in fit_a1])
strains_a2 = jnp.array([grains_a2[f].eps_sample_matrix(struc.lattice_parameters) for f in fit_a2])
strains_both = jnp.array([grains_both[f].eps_sample_matrix(struc.lattice_parameters) 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: 0.0009705108498924445 ground truth: 0.0009836023721677416
[30]:
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()
[31]:
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()
[32]:
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()
[33]:
fig, axs = plt.subplots(3,1,sharex=True,sharey=True,constrained_layout=True)
axs[0].hist(all_losses_a1[:, -1], bins=20, alpha=0.5)
axs[0].hist(gt_losses_a1, bins=20, alpha=0.5)
axs[1].hist(all_losses_a2[:, -1], bins=20, alpha=0.5)
axs[1].hist(gt_losses_a2, bins=20, alpha=0.5)
axs[2].hist(all_losses_both[:, -1], bins=20,alpha=0.5)
axs[2].hist(gt_losses_both, bins=20, alpha=0.5)
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()
[34]:
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#
[35]:
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) | -13.091522 | -16.298770 | -7.049586 | 0.4797
Positional Diff | 8.240701 | 9.091757 | 6.625707 | 0.7645
Misorientation (x1e-3) | 4.719464 | 4.998599 | 3.896107 | 0.8018
Strain Norm (x1e-4) | 1.119556 | 1.185041 | 0.934941 | 0.8114
[36]:
# total peaks (a1 and a2)
mask_a1.sum(), mask_a1.sum()*2, mask_a1.sum()/n_grains, mask_a1.sum()*2/n_grains
[36]:
(Array(55707, dtype=int64),
Array(111414, dtype=int64),
Array(123.79333333, dtype=float64),
Array(247.58666667, dtype=float64))
[37]:
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 7.92 p90 12.85 p99 17.26 max 22.29
Plots for paper#
[38]:
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>
[39]:
end = time.time()
print(f'Took {end-start:.0f} seconds')
Took 29 seconds
[ ]: