pyTEMlib 0.2025.4.1__py3-none-any.whl → 0.2025.9.1__py3-none-any.whl

pyTEMlib/image_tools.py

@@ -3,80 +3,31 @@ image_tools.py
 by Gerd Duscher, UTK
 part of pyTEMlib
 MIT license except where stated differently
+
+This version is build on top of pycroscopy.image package of the pycrocsopy ecosysgtem.
 """
 
 import numpy as np
-import matplotlib
-import matplotlib as mpl
-import matplotlib.pylab as plt
-import matplotlib.widgets as mwidgets
-# from matplotlib.widgets import RectangleSelector
-
-import sidpy
-import pyTEMlib.file_tools as ft
-import pyTEMlib.sidpy_tools
-
-from tqdm.auto import trange, tqdm
 
-# import itertools
-from itertools import product
-
-from scipy import fftpack
 import scipy
-# from scipy import signal
-from scipy.interpolate import interp1d  # , interp2d
-import scipy.optimize as optimization
-
-# Multidimensional Image library
-import scipy.ndimage as ndimage
-import scipy.constants as const
-
-# from scipy.spatial import Voronoi, KDTree, cKDTree
-
 import skimage
+import sklearn
+import matplotlib
+import matplotlib.pylab as plt
 
-import skimage.registration as registration
-# from skimage.feature import register_translation  # blob_dog, blob_doh
-from skimage.feature import peak_local_max
-# from skimage.measure import points_in_poly
-
-# our blob detectors from the scipy image package
-from skimage.feature import blob_log  # blob_dog, blob_doh
-
-from sklearn.feature_extraction import image
-from sklearn.utils.extmath import randomized_svd
-from sklearn.cluster import DBSCAN
-
-from collections import Counter
-
-# center diff function
-from skimage.filters import threshold_otsu, sobel
-from scipy.optimize import leastsq
-from sklearn.cluster import DBSCAN
-
-from ase.build import fcc110
-
-from scipy.ndimage import rotate
-from scipy.interpolate import RegularGridInterpolator
-from scipy.signal import fftconvolve
-
-
-_SimpleITK_present = True
-try:
-    import SimpleITK as sitk
-except ImportError:
-    sitk = False
-    _SimpleITK_present = False
+import sidpy
+import pyTEMlib
 
-if not _SimpleITK_present:
-    print('SimpleITK not installed; Registration Functions for Image Stacks not available\n' +
-          'install with: conda install -c simpleitk simpleitk ')
+## import all function of the image package of pycroscopy
+from .image import *
+from .image.image_utilities import pol2cart, cart2pol, xy2polar
 
 
 def get_atomic_pseudo_potential(fov, atoms, size=512, rotation=0):
-    # Big assumption: the atoms are not near the edge of the unit cell
+    """Big assumption: the atoms are not near the edge of the unit cell
     # If any atoms are close to the edge (ex. [0,0]) then the potential will be clipped
     # before calling the function, shift the atoms to the center of the unit cell
+    """
 
     pixel_size = fov / size
     max_size = int(size * np.sqrt(2) + 1)  # Maximum size to accommodate rotation
@@ -91,42 +42,51 @@ def get_atomic_pseudo_potential(fov, atoms, size=512, rotation=0):
         x = pos[0] / pixel_size
         y = pos[1] / pixel_size
         atom_width = 0.5  # Angstrom
-        gauss_width = atom_width/pixel_size # important for images at various fov.  Room for improvement with theory
-        gauss = pyTEMlib.probe_tools.make_gauss(max_size, max_size, width = gauss_width, x0=x, y0=y)
+        # important for images at various fov.  Room for improvement with theory
+        gauss_width = atom_width/pixel_size
+        gauss = pyTEMlib.probe_tools.make_gauss(max_size, max_size,
+                                                width=gauss_width,
+                                                x0=x, y0=y)
         unit_cell_potential += gauss * atomic_number  # gauss is already normalized to 1
 
     # Create interpolation function for unit cell potential
     x_grid = np.linspace(0, fov * max_size / size, max_size)
     y_grid = np.linspace(0, fov * max_size / size, max_size)
-    interpolator = RegularGridInterpolator((x_grid, y_grid), unit_cell_potential, bounds_error=False, fill_value=0)
-
+    interpolator = scipy.interpolate.RegularGridInterpolator((x_grid, y_grid),
+                                                             unit_cell_potential,
+                                                             bounds_error=False,
+                                                             fill_value=0)
     # Vectorized computation of the full potential map with max_size
-    x_coords, y_coords = np.meshgrid(np.linspace(0, fov, max_size), np.linspace(0, fov, max_size), indexing="ij")
+    x_coords, y_coords = np.meshgrid(np.linspace(0, fov, max_size),
+                                     np.linspace(0, fov, max_size),
+                                     indexing="ij")
     xtal_x = x_coords % unit_cell_size[0]
     xtal_y = y_coords % unit_cell_size[1]
     potential_map = interpolator((xtal_x.ravel(), xtal_y.ravel())).reshape(max_size, max_size)
 
     # Rotate and crop the potential map
-    potential_map = rotate(potential_map, rotation, reshape=False)
+    potential_map = scipy.ndimage.rotate(potential_map, rotation, reshape=False)
     center = potential_map.shape[0] // 2
-    potential_map = potential_map[center - size // 2:center + size // 2, center - size // 2:center + size // 2]
-
+    potential_map = potential_map[center - size // 2:center + size // 2,
+                                  center - size // 2:center + size // 2]
     potential_map = scipy.ndimage.gaussian_filter(potential_map,3)
 
     return potential_map
 
 def convolve_probe(ab, potential):
+    """ Convolve probe with potential using FFT based convolution"""
     # the pixel sizes should be the exact same as the potential
     final_sizes = potential.shape
 
     # Perform FFT-based convolution
     pad_height = pad_width = potential.shape[0] // 2
-    potential = np.pad(potential, ((pad_height, pad_height), (pad_width, pad_width)), mode='constant')
+    potential = np.pad(potential, ((pad_height, pad_height),
+                                   (pad_width, pad_width)), mode='constant')
 
-    probe, A_k, chi = pyTEMlib.probe_tools.get_probe(ab, potential.shape[0], potential.shape[1],  scale = 'mrad', verbose= False)
-    
-
-    convolved = fftconvolve(potential, probe, mode='same')
+    probe, _, _ = pyTEMlib.probe_tools.get_probe(ab, potential.shape[0],
+                                                 potential.shape[1],
+                                                 scale='mrad', verbose=False)
+    convolved = scipy.signal.fftconvolve(potential, probe, mode='same')
 
     # Crop to original potential size
     start_row = pad_height
@@ -134,16 +94,13 @@ def convolve_probe(ab, potential):
     end_row = start_row + final_sizes[0]
     end_col = start_col + final_sizes[1]
 
-    image = convolved[start_row:end_row, start_col:end_col]   
-
+    image = convolved[start_row:end_row, start_col:end_col]
     return probe, image
 
-
-# Wavelength in 1/nm
 def get_wavelength(e0):
     """
     Calculates the relativistic corrected de Broglie wave length of an electron
-
+    # Wavelength in 1/nm
     Parameters
     ----------
     e0: float
@@ -153,14 +110,16 @@ def get_wavelength(e0):
     -------
     wave length in 1/nm
     """
-
-    eV = const.e * e0
-    return const.h/np.sqrt(2*const.m_e*eV*(1+eV/(2*const.m_e*const.c**2)))*10**9
-
+    ev = scipy.constants.e * e0
+    h = scipy.constants.h
+    m = scipy.constants.m_e
+    c = scipy.constants.c
+    return h / np.sqrt(2 * m * ev * (1 + ev / (2 * m * c**2))) * 10**9
 
 def fourier_transform(dset: sidpy.Dataset) -> sidpy.Dataset:
     """
-        Reads information into dictionary 'tags', performs 'FFT', and provides a smoothed FT and reciprocal
+        Reads information into dictionary 'tags', performs 'FFT', 
+        and provides a smoothed FT and reciprocal
         and intensity limits for visualization.
 
         Parameters
@@ -182,8 +141,8 @@ def fourier_transform(dset: sidpy.Dataset) -> sidpy.Dataset:
     assert isinstance(dset, sidpy.Dataset), 'Expected a sidpy Dataset'
 
     selection = []
-    image_dims = pyTEMlib.sidpy_tools.get_image_dims(dset)
-    if dset.data_type == sidpy.DataType.IMAGE_STACK:
+    image_dims = dset.get_image_dims(return_axis=True)
+    if dset.data_type.name == 'IMAGE_STACK':
         stack_dim = dset.get_dimensions_by_type('TEMPORAL')
 
         if len(image_dims) != 2:
@@ -193,184 +152,73 @@ def fourier_transform(dset: sidpy.Dataset) -> sidpy.Dataset:
             if i in image_dims:
                 selection.append(slice(None))
             if len(stack_dim) == 0:
-                stack_dims = i
+                stack_dim = i
                 selection.append(slice(None))
             elif i in stack_dim:
-                stack_dims = i
+                stack_dim = i
                 selection.append(slice(None))
             else:
                 selection.append(slice(0, 1))
 
         image_stack = np.squeeze(np.array(dset)[selection])
         new_image = np.sum(np.array(image_stack), axis=stack_dim)
-    elif dset.data_type == sidpy.DataType.IMAGE:
+    elif dset.data_type.name == 'IMAGE':
         new_image = np.array(dset)
     else:
         return
 
     new_image = new_image - new_image.min()
-    
-    fft_transform = (np.fft.fftshift(np.fft.fft2(new_image)))
-
-    image_dims = pyTEMlib.sidpy_tools.get_image_dims(dset)
+    fft_transform = (np.fft.fftshift(np.fft.fft2(np.array(new_image))))
 
-    units_x = '1/' + dset._axes[image_dims[0]].units
-    units_y = '1/' + dset._axes[image_dims[1]].units
+    image_dims = dset.get_image_dims(return_axis=True)
 
+    units_x = '1/' + image_dims[0].units
+    units_y = '1/' + image_dims[1].units
     fft_dset = sidpy.Dataset.from_array(fft_transform)
     fft_dset.quantity = dset.quantity
     fft_dset.units = 'a.u.'
     fft_dset.data_type = 'IMAGE'
     fft_dset.source = dset.title
     fft_dset.modality = 'fft'
-
-    fft_dset.set_dimension(0, sidpy.Dimension(np.fft.fftshift(np.fft.fftfreq(new_image.shape[0],
-                                                                             d=dset.x[1]-dset.x[0])),
-                                              name='u', units=units_x, dimension_type='RECIPROCAL',
+    axis = np.fft.fftshift(np.fft.fftfreq(new_image.shape[0], d=dset.x[1]-dset.x[0]))
+    fft_dset.set_dimension(0, sidpy.Dimension(axis,
+                                              name='u', units=units_x,
+                                              dimension_type='RECIPROCAL',
                                               quantity='reciprocal_length'))
-    fft_dset.set_dimension(1, sidpy.Dimension(np.fft.fftshift(np.fft.fftfreq(new_image.shape[1],
-                                                                             d=dset.y[1]- dset.y[0])),
-                                              name='v', units=units_y, dimension_type='RECIPROCAL',
+    axis = np.fft.fftshift(np.fft.fftfreq(new_image.shape[1], d=dset.y[1]-dset.y[0]))
+    fft_dset.set_dimension(1, sidpy.Dimension(axis,
+                                              name='v', units=units_y,
+                                              dimension_type='RECIPROCAL',
                                               quantity='reciprocal_length'))
-
     return fft_dset
 
 
-def power_spectrum(dset, smoothing=3):
-    """
-    Calculate power spectrum
-
-    Parameters
-    ----------
-    dset: sidpy.Dataset
-        image
-    smoothing: int
-        Gaussian smoothing
-
-    Returns
-    -------
-    power_spec: sidpy.Dataset
-        power spectrum with correct dimensions
-
-    """
-
-    fft_transform = fourier_transform(dset)  # dset.fft()
-    fft_mag = np.abs(fft_transform)
-    fft_mag2 = ndimage.gaussian_filter(fft_mag, sigma=(smoothing, smoothing), order=0)
-
-    power_spec = fft_transform.like_data(np.log(1.+fft_mag2))
-
-    # prepare mask
-    x, y = np.meshgrid(power_spec.v.values, power_spec.u.values)
-    mask = np.zeros(power_spec.shape)
-
-    mask_spot = x ** 2 + y ** 2 > 1 ** 2
-    mask = mask + mask_spot
-    mask_spot = x ** 2 + y ** 2 < 11 ** 2
-    mask = mask + mask_spot
-
-    mask[np.where(mask == 1)] = 0  # just in case of overlapping disks
-
-    minimum_intensity = np.array(power_spec)[np.where(mask == 2)].min() * 0.95
-    maximum_intensity = np.array(power_spec)[np.where(mask == 2)].max() * 1.05
-    power_spec.metadata = {'fft': {'smoothing': smoothing,
-                                   'minimum_intensity': minimum_intensity, 'maximum_intensity': maximum_intensity}}
-    power_spec.title = 'power spectrum ' + power_spec.source
-
-    return power_spec
-
-
-def diffractogram_spots(dset, spot_threshold, return_center=True, eps=0.1):
-    """Find spots in diffractogram and sort them by distance from center
-
-    Uses blob_log from scipy.spatial
-
-    Parameters
-    ----------
-    dset: sidpy.Dataset
-        diffractogram
-    spot_threshold: float
-        threshold for blob finder
-    return_center: bool, optional
-        return center of image if true
-    eps: float, optional
-        threshold for blob finder
-
-    Returns
-    -------
-    spots: numpy array
-        sorted position (x,y) and radius (r) of all spots
-    """
-
-    # spot detection (for future reference there is no symmetry assumed here)
-    data = np.array(np.log(1+np.abs(dset)))
-    data = data - data.min()
-    data = data/data.max()
-    # some images are strange and blob_log does not work on the power spectrum
-    try:
-        spots_random = blob_log(data, max_sigma=5, threshold=spot_threshold)
-    except ValueError:
-        spots_random = peak_local_max(np.array(data.T), min_distance=3, threshold_rel=spot_threshold)
-        spots_random = np.hstack(spots_random, np.zeros((spots_random.shape[0], 1)))
-            
-    print(f'Found {spots_random.shape[0]} reflections')
-
-    # Needed for conversion from pixel to Reciprocal space
-    image_dims = dset.get_image_dims(return_axis=True)
-    rec_scale = np.array([image_dims[0].slope, image_dims[1].slope])
-    
-    spots_random[:, :2] = spots_random[:, :2]*rec_scale+[dset.u.values[0], dset.v.values[0]]
-    # sort reflections
-    spots_random[:, 2] = np.linalg.norm(spots_random[:, 0:2], axis=1)
-    spots_index = np.argsort(spots_random[:, 2])
-    spots = spots_random[spots_index]
-    # third row is angles
-    spots[:, 2] = np.arctan2(spots[:, 0], spots[:, 1])
-
-    center = [0, 0]
-
-    if return_center:
-        points = spots[:, 0:2]
-
-        # Calculate the midpoints between all points
-        reshaped_points = points[:, np.newaxis, :]
-        midpoints = (reshaped_points + reshaped_points.transpose(1, 0, 2)) / 2.0
-        midpoints = midpoints.reshape(-1, 2)
-
-        # Find the most dense cluster of midpoints
-        dbscan = DBSCAN(eps=eps, min_samples=2)
-        labels = dbscan.fit_predict(midpoints)
-        cluster_counter = Counter(labels)
-        largest_cluster_label = max(cluster_counter, key=cluster_counter.get)
-        largest_cluster_points = midpoints[labels == largest_cluster_label]
-
-        # Average of these midpoints must be the center
-        center = np.mean(largest_cluster_points, axis=0)
-
-    return spots, center
-
-
-def center_diffractogram(dset, return_plot = True, smoothing = 1, min_samples = 10, beamstop_size = 0.1):
+def center_diffractogram(dset, return_plot = True, smoothing = 1,
+                         min_samples = 10, beamstop_size = 0.1):
+    """Find center of diffractogram by fitting a circle to the diffraction ring"""
+    mean_radius = 0
     try:
         diff = np.array(dset).T.astype(np.float16)
         diff[diff < 0] = 0
-        threshold = threshold_otsu(diff)
+        threshold = skimage.filters.threshold_otsu(diff)
         binary = (diff > threshold).astype(float)
-        smoothed_image = ndimage.gaussian_filter(binary, sigma=smoothing) # Smooth before edge detection
-        smooth_threshold = threshold_otsu(smoothed_image)
+        # Smooth before edge detection
+        smoothed_image = scipy.ndimage.gaussian_filter(binary, sigma=smoothing)
+        smooth_threshold = skimage.filters.threshold_otsu(smoothed_image)
         smooth_binary = (smoothed_image > smooth_threshold).astype(float)
 
         # add a circle to mask the beamstop
         x, y = np.meshgrid(np.arange(dset.shape[0]), np.arange(dset.shape[1]))
-        circle = (x - dset.shape[0] / 2) ** 2 + (y - dset.shape[1] / 2) ** 2 < (beamstop_size * dset.shape[0] / 2) ** 2
+        radius = (x - dset.shape[0] / 2) ** 2 + (y - dset.shape[1] / 2) ** 2
+        circle = radius < (beamstop_size * dset.shape[0] / 2) ** 2
         smooth_binary[circle] = 1
-        
+
         # Find the edges using the Sobel operator
-        edges = sobel(smooth_binary)
+        edges = skimage.filters.sobel(smooth_binary)
         edge_points = np.argwhere(edges)
 
         # Use DBSCAN to cluster the edge points
-        db = DBSCAN(eps=10, min_samples=min_samples).fit(edge_points)
+        db = sklearn.cluster.DBSCAN(eps=10, min_samples=min_samples).fit(edge_points)
         labels = db.labels_
         if len(set(labels)) == 1:
             raise ValueError("DBSCAN clustering resulted in only one group, check the parameters.")
@@ -383,14 +231,16 @@ def center_diffractogram(dset, return_plot = True, smoothing = 1, min_samples =
 
         # Fit a circle to the diffraction ring
         def calc_distance(c, x, y):
-            Ri = np.sqrt((x - c[0])**2 + (y - c[1])**2)
-            return Ri - Ri.mean()
+            ri = np.sqrt((x - c[0])**2 + (y - c[1])**2)
+            return ri - ri.mean()
         x_m = np.mean(edge_points[:, 1])
         y_m = np.mean(edge_points[:, 0])
         center_guess = x_m, y_m
-        center, ier = leastsq(calc_distance, center_guess, args=(edge_points[:, 1], edge_points[:, 0]))
-        mean_radius = np.mean(calc_distance(center, edge_points[:, 1], edge_points[:, 0])) + np.sqrt((edge_points[:, 1] - center[0])**2 + (edge_points[:, 0] - center[1])**2).mean()
-    
+        center, _ = scipy.optimize.leastsq(calc_distance, center_guess,
+                                             args=(edge_points[:, 1], edge_points[:, 0]))
+        mean_radius = (np.mean(calc_distance(center, edge_points[:, 1], edge_points[:, 0]))
+                       + np.sqrt((edge_points[:, 1] - center[0])**2
+                                 + (edge_points[:, 0] - center[1])**2).mean())
     finally:
         if return_plot:
             fig, ax = plt.subplots(1, 5, figsize=(14, 4), sharex=True, sharey=True)
@@ -411,358 +261,9 @@ def center_diffractogram(dset, return_plot = True, smoothing = 1, min_samples =
             for axis in ax:
                 axis.axis('off')
             fig.tight_layout()
-          
     return center
 
 
-def adaptive_fourier_filter(dset, spots, low_pass=3, reflection_radius=0.3):
-    """
-    Use spots in diffractogram for a Fourier Filter
-
-    Parameters:
-    -----------
-    dset: sidpy.Dataset
-        image to be filtered
-    spots: np.ndarray(N,2)
-        sorted spots in diffractogram in 1/nm
-    low_pass:  float
-        low pass filter in center of diffractogram in 1/nm
-    reflection_radius:  float
-        radius of masked reflections in 1/nm
-
-    Output:
-    -------
-            Fourier filtered image
-    """
-
-    if not isinstance(dset, sidpy.Dataset):
-        raise TypeError('We need a sidpy.Dataset')
-    fft_transform = fourier_transform(dset)
-
-    # prepare mask
-    x, y = np.meshgrid(fft_transform.v.values, fft_transform.u.values)
-    mask = np.zeros(dset.shape)
-
-    # mask reflections
-    for spot in spots:
-        mask_spot = (x - spot[1]) ** 2 + (y - spot[0]) ** 2 < reflection_radius ** 2  # make a spot
-        mask = mask + mask_spot  # add spot to mask
-
-    # mask zero region larger (low-pass filter = intensity variations)
-    mask_spot = x ** 2 + y ** 2 < low_pass ** 2
-    mask = mask + mask_spot
-    mask[np.where(mask > 1)] = 1
-    fft_filtered = np.array(fft_transform * mask)
-
-    filtered_image = dset.like_data(np.fft.ifft2(np.fft.fftshift(fft_filtered)).real)
-    filtered_image.title = 'Fourier filtered ' + dset.title
-    filtered_image.source = dset.title
-    filtered_image.metadata = {'analysis': 'adaptive fourier filtered', 'spots': spots,
-                               'low_pass': low_pass, 'reflection_radius': reflection_radius}
-    return filtered_image
-
-
-def rotational_symmetry_diffractogram(spots):
-    """ Test rotational symmetry of diffraction spots"""
-
-    rotation_symmetry = []
-    for n in [2, 3, 4, 6]:
-        cc = np.array(
-            [[np.cos(2 * np.pi / n), np.sin(2 * np.pi / n), 0], [-np.sin(2 * np.pi / n), np.cos(2 * np.pi / n), 0],
-             [0, 0, 1]])
-        sym_spots = np.dot(spots, cc)
-        dif = []
-        for p0, p1 in product(sym_spots[:, 0:2], spots[:, 0:2]):
-            dif.append(np.linalg.norm(p0 - p1))
-        dif = np.array(sorted(dif))
-
-        if dif[int(spots.shape[0] * .7)] < 0.2:
-            rotation_symmetry.append(n)
-    return rotation_symmetry
-
-#####################################################
-# Registration Functions
-#####################################################
-
-
-def complete_registration(main_dataset, storage_channel=None):
-    """Rigid and then non-rigid (demon) registration
-
-    Performs rigid and then non-rigid registration, please see individual functions:
-    - rigid_registration
-    - demon_registration
-
-    Parameters
-    ----------
-    main_dataset: sidpy.Dataset
-        dataset of data_type 'IMAGE_STACK' to be registered
-    storage_channel: h5py.Group
-        optional - location in hdf5 file to store datasets
-
-    Returns
-    -------
-    non_rigid_registered: sidpy.Dataset
-    rigid_registered_dataset: sidpy.Dataset
-
-    """
-
-    if not isinstance(main_dataset, sidpy.Dataset):
-        raise TypeError('We need a sidpy.Dataset')
-    if main_dataset.data_type.name != 'IMAGE_STACK':
-        raise TypeError('Registration makes only sense for an image stack')
-
-    print('Rigid_Registration')
-
-    rigid_registered_dataset = rigid_registration(main_dataset)
-
-    print(rigid_registered_dataset)
-    rigid_registered_dataset.data_type = 'IMAGE_STACK'
-    print('Non-Rigid_Registration')
-
-    non_rigid_registered = demon_registration(rigid_registered_dataset)
-    return non_rigid_registered, rigid_registered_dataset
-
-
-def demon_registration(dataset, verbose=False):
-    """
-    Diffeomorphic Demon Non-Rigid Registration
-
-    Depends on:
-        simpleITK and numpy
-    Please Cite: http://www.simpleitk.org/SimpleITK/project/parti.html
-    and T. Vercauteren, X. Pennec, A. Perchant and N. Ayache
-    Diffeomorphic Demons Using ITK\'s Finite Difference Solver Hierarchy
-    The Insight Journal, http://hdl.handle.net/1926/510 2007
-
-    Parameters
-    ----------
-    dataset: sidpy.Dataset
-        stack of image after rigid registration and cropping
-    verbose: boolean
-        optional for increased output
-    Returns
-    -------
-        dem_reg: stack of images with non-rigid registration
-
-    Example
-    -------
-    dem_reg = demon_reg(stack_dataset, verbose=False)
-    """
-
-    if not isinstance(dataset, sidpy.Dataset):
-        raise TypeError('We need a sidpy.Dataset')
-    if dataset.data_type.name != 'IMAGE_STACK':
-        raise TypeError('Registration makes only sense for an image stack')
-
-    dem_reg = np.zeros(dataset.shape)
-    nimages = dataset.shape[0]
-    if verbose:
-        print(nimages)
-    # create fixed image by summing over rigid registration
-
-    fixed_np = np.average(np.array(dataset), axis=0)
-
-    if not _SimpleITK_present:
-        print('This feature is not available: \n Please install simpleITK with: conda install simpleitk -c simpleitk')
-
-    fixed = sitk.GetImageFromArray(fixed_np)
-    fixed = sitk.DiscreteGaussian(fixed, 2.0)
-
-    # demons = sitk.SymmetricForcesDemonsRegistrationFilter()
-    demons = sitk.DiffeomorphicDemonsRegistrationFilter()
-
-    demons.SetNumberOfIterations(200)
-    demons.SetStandardDeviations(1.0)
-
-    resampler = sitk.ResampleImageFilter()
-    resampler.SetReferenceImage(fixed)
-    resampler.SetInterpolator(sitk.sitkBSpline)
-    resampler.SetDefaultPixelValue(0)
-
-    for i in trange(nimages):
-        moving = sitk.GetImageFromArray(dataset[i])
-        moving_f = sitk.DiscreteGaussian(moving, 2.0)
-        displacement_field = demons.Execute(fixed, moving_f)
-        out_tx = sitk.DisplacementFieldTransform(displacement_field)
-        resampler.SetTransform(out_tx)
-        out = resampler.Execute(moving)
-        dem_reg[i, :, :] = sitk.GetArrayFromImage(out)
-
-    print(':-)')
-    print('You have successfully completed Diffeomorphic Demons Registration')
-
-    demon_registered = dataset.like_data(dem_reg)
-    demon_registered.title = 'Non-Rigid Registration'
-    demon_registered.source = dataset.title
-
-    demon_registered.metadata =dataset.metadata.copy()
-    if 'analysis' not in demon_registered.metadata:
-        demon_registered.metadata['analysis'] = {}
-    demon_registered.metadata['analysis']['non_rigid_demon_registration'] = {'package': 'simpleITK',
-                                                                             'method': 'DiscreteGaussian',
-                                                                             'variance': 2,
-                                                                             'input_dataset': dataset.source}
-    demon_registered.data_type = 'IMAGE_STACK'
-    return demon_registered
-
-
-###############################
-# Rigid Registration New 05/09/2020
-
-def rigid_registration(dataset, normalization=None):
-    """
-    Rigid registration of image stack with pixel accuracy
-
-    Uses simple cross_correlation
-    (we determine drift from one image to next)
-
-    Parameters
-    ----------
-    dataset: sidpy.Dataset
-        sidpy dataset with image_stack dataset
-
-    Returns
-    -------
-    rigid_registered: sidpy.Dataset
-        Registered Stack and drift (with respect to center image)
-    """
-    
-    if not isinstance(dataset, sidpy.Dataset):
-        raise TypeError('We need a sidpy.Dataset')
-    if dataset.data_type.name != 'IMAGE_STACK':
-        raise TypeError('Registration makes only sense for an image stack')
-
-    if isinstance (normalization, str):
-        if normalization.lower() != 'phase':
-            nomralization = None
-    else:
-        normalization = None
-
-    if dataset.get_dimensions_by_type('TEMPORAL')[0] != 0:
-        raise TypeError('Image stack does not have correct frame dimension')
-        
-    stack_dim = dataset.get_dimensions_by_type('TEMPORAL', return_axis=True)[0]
-    image_dim = dataset.get_image_dims(return_axis=True)
-    if len(image_dim) != 2:
-        raise ValueError('need at least two SPATIAL dimension for an image stack')
-    
-    relative_drift = [[0., 0.]]
-    im1 = np.fft.fft2(np.array(dataset[0]))
-    for i in range(1, len(stack_dim)):
-        im2 = np.fft.fft2(np.array(dataset[i]))
-        shift, error, _ = skimage.registration.phase_cross_correlation(im1, im2, normalization=normalization, space='fourier')
-        print(shift)
-        im1 = im2.copy()
-        relative_drift.append(shift)    
-        
-    rig_reg, drift = pyTEMlib.image_tools.rig_reg_drift(dataset, relative_drift)
-    crop_reg, input_crop = pyTEMlib.image_tools.crop_image_stack(rig_reg, drift)
-    
-    rigid_registered = sidpy.Dataset.from_array(crop_reg, 
-                                                title='Rigid Registration', 
-                                                data_type='IMAGE_STACK',
-                                                quantity=dataset.quantity,
-                                                units=dataset.units)
-    rigid_registered.title = 'Rigid_Registration'
-    rigid_registered.source = dataset.title
-    rigid_registered.metadata['analysis'] = {'rigid_registration': {'drift': drift,
-                                 'input_crop': input_crop, 'input_shape': dataset.shape[1:]}}
-    rigid_registered.metadata['experiment'] = dataset.metadata['experiment'].copy()
-    rigid_registered.set_dimension(0, sidpy.Dimension(np.arange(rigid_registered.shape[0]), 
-                                          name='frame', units='frame', quantity='time',
-                                          dimension_type='temporal'))
-    
-    array_x = image_dim[0].values[input_crop[0]:input_crop[1]]
-    rigid_registered.set_dimension(1, sidpy.Dimension(array_x, name='x',
-                                                      units='nm', quantity='Length',
-                                                      dimension_type='spatial'))
-    array_y =image_dim[1].values[input_crop[2]:input_crop[3]]
-    rigid_registered.set_dimension(2, sidpy.Dimension(array_y, name='y',
-                                                      units='nm', quantity='Length',
-                                                      dimension_type='spatial'))
-    rigid_registered.data_type = 'IMAGE_STACK'
-    return rigid_registered.rechunk({0: 'auto', 1: -1, 2: -1})
-
-
-def rig_reg_drift(dset, rel_drift):
-    """ Shifting images on top of each other
-
-    Uses relative drift to shift images on top of each other,
-    with center image as reference.
-    Shifting is done with shift routine of ndimage from scipy.
-    This function is used by rigid_registration routine
-
-    Parameters
-    ----------
-    dset: sidpy.Dataset
-        dataset with image_stack
-    rel_drift:
-        relative_drift from image to image as list of [shiftx, shifty]
-
-    Returns
-    -------
-    stack: numpy array
-    drift: list of drift in pixel
-    """
-
-    frame_dim = []
-    spatial_dim = []
-    selection = []
-
-    for i, axis in dset._axes.items():
-        if axis.dimension_type.name == 'SPATIAL':
-            spatial_dim.append(i)
-            selection.append(slice(None))
-        else:
-            frame_dim.append(i)
-            selection.append(slice(0, 1))
-
-    if len(spatial_dim) != 2:
-        print('need two spatial dimensions')
-    if len(frame_dim) != 1:
-        print('need one frame dimensions')
-
-    rig_reg = np.zeros([dset.shape[frame_dim[0]], dset.shape[spatial_dim[0]], dset.shape[spatial_dim[1]]])
-
-    # absolute drift
-    drift = np.array(rel_drift).copy()
-    
-    drift[0] = [0, 0]
-    for i in range(1, drift.shape[0]):
-        drift[i] = drift[i - 1] + rel_drift[i]
-    center_drift = drift[int(drift.shape[0] / 2)]
-    drift = drift - center_drift
-    # Shift images
-    for i in range(rig_reg.shape[0]):
-        selection[frame_dim[0]] = slice(i, i+1)
-        # Now we shift
-        rig_reg[i, :, :] = ndimage.shift(dset[tuple(selection)].squeeze().compute(),
-                                         [drift[i, 0], drift[i, 1]], order=3)
-    return rig_reg, drift
-
-
-def crop_image_stack(rig_reg, drift):
-    """Crop images in stack according to drift
-
-    This function is used by rigid_registration routine
-
-    Parameters
-    ----------
-    rig_reg: numpy array (N,x,y)
-    drift: list (2,B)
-
-    Returns
-    -------
-    numpy array
-    """
-    xpmax = int(rig_reg.shape[1] - -np.floor(np.min(np.array(drift)[:, 0])))
-    xpmin = int(np.ceil(np.max(np.array(drift)[:, 0])))
-    ypmax = int(rig_reg.shape[1] - -np.floor(np.min(np.array(drift)[:, 1])))
-    ypmin = int(np.ceil(np.max(np.array(drift)[:, 1])))
-
-    return rig_reg[:, xpmin:xpmax, ypmin:ypmax:], [xpmin, xpmax, ypmin, ypmax]
-
-
 class ImageWithLineProfile:
     """Image with line profile"""
 
@@ -779,6 +280,13 @@ class ImageWithLineProfile:
         self.line,  = self.ax.plot([0], [0], color='orange')  # empty line
         self.end_x = self.line.get_xdata()
         self.end_y = self.line.get_ydata()
+        self.x = 0
+        self.y = 0
+        self.z = 0
+        self.start_x =  self.end_x
+        self.start_y = self.end_y
+        self.moved_point = [0, 0]
+        self.new_point = [0, 0]
         self.cid = self.line.figure.canvas.mpl_connect('button_press_event', self)
 
     def __call__(self, event):
@@ -796,6 +304,7 @@ class ImageWithLineProfile:
         self.update()
 
     def update(self):
+        """ Update line profile"""
         if not self.line_plot:
             self.line_plot = True
             self.figure.clear()
@@ -818,7 +327,7 @@ class ImageWithLineProfile:
         y = np.linspace(y0, y1, num)*(self.data.shape[0]/self.extent[1])
 
         # Extract the values along the line, using cubic interpolation
-        zi2 = ndimage.map_coordinates(self.data.T, np.vstack((x, y)))
+        zi2 = scipy.ndimage.map_coordinates(self.data.T, np.vstack((x, y)))
 
         x_axis = np.linspace(0, length_plot, len(zi2))
         self.x = x_axis
@@ -832,34 +341,38 @@ class ImageWithLineProfile:
 
 
 class LineSelector(matplotlib.widgets.PolygonSelector):
+    """ Line selector with adjustable line width"""
     def __init__(self, ax, onselect, line_width=1, **kwargs):
         super().__init__(ax, onselect, **kwargs)
         bounds = ax.viewLim.get_points()
         np.max(bounds[0])
-        self.line_verts = np.array([[np.max(bounds[1])/2, np.max(bounds[0])/5], [np.max(bounds[1])/2,
-                                                                                 np.max(bounds[0])/5+1],
-                                    [np.max(bounds[1])/5, np.max(bounds[0])/2], [np.max(bounds[1])/5,
-                                                                                 np.max(bounds[0])/2]])
+        self.line_verts = np.array([[np.max(bounds[1])/2, np.max(bounds[0])/5],
+                                    [np.max(bounds[1])/2, np.max(bounds[0])/5+1],
+                                    [np.max(bounds[1])/5, np.max(bounds[0])/2],
+                                    [np.max(bounds[1])/5, np.max(bounds[0])/2]])
         self.verts = self.line_verts
         self.line_width = line_width
 
     def set_linewidth(self, line_width=None):
+        """ Set the line width of the line selector"""
         if line_width is not None:
             self.line_width = line_width
 
-        m = -(self.line_verts[0, 1]-self.line_verts[3, 1])/(self.line_verts[0, 0]-self.line_verts[3, 0])
+        m = -(self.line_verts[0, 1]-self.line_verts[3, 1])/(self.line_verts[0, 0]
+                                                            -self.line_verts[3, 0])
         c = 1/np.sqrt(1+m**2)
         s = c*m
-        self.line_verts[1] = [self.line_verts[0, 0]+self.line_width*s, self.line_verts[0, 1]+self.line_width*c]
-        self.line_verts[2] = [self.line_verts[3, 0]+self.line_width*s, self.line_verts[3, 1]+self.line_width*c]
-        
+        self.line_verts[1] = [self.line_verts[0, 0]+self.line_width*s,
+                              self.line_verts[0, 1]+self.line_width*c]
+        self.line_verts[2] = [self.line_verts[3, 0]+self.line_width*s,
+                              self.line_verts[3, 1]+self.line_width*c]
         self.verts = self.line_verts.copy()
 
     def onmove(self, event):
         super().onmove(event)
         if np.max(np.linalg.norm(self.line_verts-self.verts, axis=1)) > 1:
             self.moved_point = np.argmax(np.linalg.norm(self.line_verts-self.verts, axis=1))
-            
+
             self.new_point = self.verts[self.moved_point]
             moved_point = int(np.floor(self.moved_point/2)*3)
             self.moved_point = moved_point
@@ -868,13 +381,16 @@ class LineSelector(matplotlib.widgets.PolygonSelector):
 
 def get_profile(dataset, line, spline_order=-1):
     """
-    This function extracts a line profile from a given dataset. The line profile is a representation of the data values 
-    along a specified line in the dataset. This function works for both image and spectral image data types.
+    This function extracts a line profile from a given dataset. 
+    The line profile is a representation of the data values 
+    along a specified line in the dataset. 
+    This function works for both image and spectral image data types.
 
     Args:
         dataset (sidpy.Dataset): The input dataset from which to extract the line profile.
         line (list): A list specifying the line along which the profile should be extracted.
-        spline_order (int, optional): The order of the spline interpolation to use. Default is -1, which means no interpolation.
+        spline_order (int, optional): The order of the spline interpolation to use. 
+        Default is -1, which means no interpolation.
 
     Returns:
         profile_dataset (sidpy.Dataset): A new sidpy.Dataset containing the line profile.
@@ -887,22 +403,23 @@ def get_profile(dataset, line, spline_order=-1):
         xv /= image_dims[0].slope
         yv /= image_dims[1].slope
         profile = scipy.ndimage.map_coordinates(np.array(dataset), [xv, yv])
-        
+
         profile_dataset = sidpy.Dataset.from_array(profile.sum(axis=0))
         profile_dataset.data_type='spectrum'
         profile_dataset.units = dataset.units
         profile_dataset.quantity = dataset.quantity
-        profile_dataset.set_dimension(0, sidpy.Dimension(np.linspace(xv[0,0], xv[-1,-1], profile_dataset.shape[0]), 
-                                                  name='x', units=dataset.x.units, quantity=dataset.x.quantity,
+        profile_dataset.set_dimension(0, sidpy.Dimension(np.linspace(xv[0,0], xv[-1,-1],
+                                                                     profile_dataset.shape[0]),
+                                                  name='x', units=dataset.x.units,
+                                                  quantity=dataset.x.quantity,
                                                   dimension_type='spatial'))
 
-        profile_dataset
-
     if dataset.data_type.name == 'SPECTRAL_IMAGE':
         spectral_axis = dataset.get_spectral_dims(return_axis=True)[0]
         if spline_order > -1:
             xv, yv, zv = get_line_selection_points_interpolated(line, z_length=dataset.shape[2])
-            profile = scipy.ndimage.map_coordinates(np.array(dataset), [xv, yv, zv], order=spline_order)
+            profile = scipy.ndimage.map_coordinates(np.array(dataset), [xv, yv, zv],
+                                                    order=spline_order)
             profile = profile.sum(axis=0)
             profile = np.stack([profile, profile], axis=1)
             start = xv[0, 0, 0]
@@ -914,20 +431,21 @@ def get_profile(dataset, line, spline_order=-1):
         profile_dataset.data_type='spectral_image'
         profile_dataset.units = dataset.units
         profile_dataset.quantity = dataset.quantity
-        profile_dataset.set_dimension(0, sidpy.Dimension(np.arange(profile_dataset.shape[0])+start, 
-                                                  name='x', units=dataset.x.units, quantity=dataset.x.quantity,
+        profile_dataset.set_dimension(0, sidpy.Dimension(np.arange(profile_dataset.shape[0])+start,
+                                                  name='x', units=dataset.x.units,
+                                                  quantity=dataset.x.quantity,
                                                   dimension_type='spatial'))
-        profile_dataset.set_dimension(1, sidpy.Dimension([0, 1], 
-                                                  name='y', units=dataset.x.units, quantity=dataset.x.quantity,
+        profile_dataset.set_dimension(1, sidpy.Dimension([0, 1],
+                                                  name='y', units=dataset.x.units,
+                                                  quantity=dataset.x.quantity,
                                                   dimension_type='spatial'))
-        
+
         profile_dataset.set_dimension(2, spectral_axis)
     return profile_dataset
 
 
-
 def get_line_selection_points_interpolated(line, z_length=1):
-    
+    """ Get line selection points from line selector with interpolation in z direction"""
     start_point = line.line_verts[3]
     right_point = line.line_verts[0]
     low_point = line.line_verts[2]
@@ -939,7 +457,7 @@ def get_line_selection_points_interpolated(line, z_length=1):
     m = (right_point[1] - start_point[1]) / (right_point[0] - start_point[0])
     length_x = int(abs(start_point[0]-right_point[0]))
     length_v = int(np.linalg.norm(start_point-right_point))
-    
+
     linewidth = int(abs(start_point[1]-low_point[1]))
     x = np.linspace(0,length_x, length_v)
     y = np.linspace(0,linewidth, line.line_width)
@@ -950,19 +468,17 @@ def get_line_selection_points_interpolated(line, z_length=1):
         y = np.atleast_2d(y).repeat(z_length, axis=0).T
     else:
         xv, yv = np.meshgrid(x, y)
-    
-    
-    yv = yv + x*m + start_point[1] 
+    yv = yv + x*m + start_point[1]
     xv = (xv.swapaxes(0,1) -y*m ).swapaxes(0,1) + start_point[0]
 
     if z_length > 1:
         return xv, yv, zv
-    else:   
+    else:
         return xv, yv
 
 
 def get_line_selection_points(line):
-    
+    """ Get line selection points from line selector"""
     start_point = line.line_verts[3]
     right_point = line.line_verts[0]
     low_point = line.line_verts[2]
@@ -974,19 +490,19 @@ def get_line_selection_points(line):
     m = (right_point[1] - start_point[1]) / (right_point[0] - start_point[0])
     length_x = int(abs(start_point[0]-right_point[0]))
     length_v = int(np.linalg.norm(start_point-right_point))
-    
+
     linewidth = int(abs(start_point[1]-low_point[1]))
     x = np.linspace(0,length_x, length_v)
     y = np.linspace(0,linewidth, line.line_width)
     xv, yv = np.meshgrid(x, y)
-    
-    yy = yv +x*m+start_point[1] 
+
+    yy = yv +x*m+start_point[1]
     xx = (xv.T -y*m ).T + start_point[0]
-    
     return xx, yy
 
 
 def get_line_profile(data, xv, yv, z_length):
+    """ Get line profile from data array"""
     profile = np.zeros([len(xv[0]), 2, z_length])
     for index_x in range(xv.shape[1]):
         for  index_y  in range(xv.shape[0]):
@@ -995,7 +511,7 @@ def get_line_profile(data, xv, yv, z_length):
             if x< data.shape[0] and x>0 and y < data.shape[1] and y>0:
                 profile[index_x, 0] +=data[x, y]
     return profile
-     
+
 
 def histogram_plot(image_tags):
     """interactive histogram"""
@@ -1003,7 +519,6 @@ def histogram_plot(image_tags):
     color_map_list = ['gray', 'viridis', 'jet', 'hot']
     if 'minimum_intensity' not in image_tags:
         image_tags['minimum_intensity'] = image_tags['plotimage'].min()
-    minimum_intensity = image_tags['minimum_intensity']
     if 'maximum_intensity' not in image_tags:
         image_tags['maximum_intensity'] = image_tags['plotimage'].max()
     data = image_tags['plotimage']
@@ -1014,20 +529,19 @@ def histogram_plot(image_tags):
 
     cmap = plt.cm.get_cmap(image_tags['color_map'])
     colors = cmap(np.linspace(0., 1., nbins))
-    norm2 = mpl.colors.Normalize(vmin=vmin, vmax=vmax)
+    norm2 = matplotlib.colors.Normalize(vmin=vmin, vmax=vmax)
     hist, bin_edges = np.histogram(data, np.linspace(vmin, vmax, nbins), density=True)
 
     width = bin_edges[1]-bin_edges[0]
-
+    event2 = None
     def onselect(vmin, vmax):
         ax1.clear()
         cmap = plt.cm.get_cmap(image_tags['color_map'])
         colors = cmap(np.linspace(0., 1., nbins))
-        norm2 = mpl.colors.Normalize(vmin=vmin, vmax=vmax)
+        norm2 = matplotlib.colors.Normalize(vmin=vmin, vmax=vmax)
         hist2, bin_edges2 = np.histogram(data, np.linspace(vmin, vmax, nbins), density=True)
 
-        width2 = (bin_edges2[1]-bin_edges2[0])
-
+        width2 = bin_edges2[1]-bin_edges2[0]
         for i in range(nbins-1):
             histogram[i].xy = (bin_edges2[i], 0)
             histogram[i].set_height(hist2[i])
@@ -1036,7 +550,8 @@ def histogram_plot(image_tags):
         ax.set_xlim(vmin, vmax)
         ax.set_ylim(0, hist2.max()*1.01)
 
-        cb1 = mpl.colorbar.ColorbarBase(ax1, cmap=cmap, norm=norm2, orientation='horizontal')
+        # cb1 = matplotlib.colorbar.ColorbarBase(ax1, cmap=cmap,
+        # norm=norm2, orientation='horizontal')
 
         image_tags['minimum_intensity'] = vmin
         image_tags['maximum_intensity'] = vmax
@@ -1044,9 +559,9 @@ def histogram_plot(image_tags):
     def onclick(event):
         global event2
         event2 = event
-        print('%s click: button=%d, x=%d, y=%d, xdata=%f, ydata=%f' %
-              ('double' if event.dblclick else 'single', event.button,
-               event.x, event.y, event.xdata, event.ydata))
+        button_click = 'double' if event.dblclick else 'single'
+        print(f"{button_click} click: button={event.button},"
+              + f" x={event.x}, y={event.y}, xdata={event.xdata}, ydata={event.ydata}")
         if event.inaxes == ax1:
             if event.button == 3:
                 ind = color_map_list.index(image_tags['color_map'])+1
@@ -1065,172 +580,19 @@ def histogram_plot(image_tags):
     ax = fig2.add_axes([0., 0.2, 0.9, 0.7])
     ax1 = fig2.add_axes([0., 0.15, 0.9, 0.05])
 
-    histogram = ax.bar(bin_edges[0:-1], hist, width=width, color=colors, edgecolor='black', alpha=0.8)
+    histogram = ax.bar(bin_edges[0:-1], hist, width=width, color=colors,
+                       edgecolor='black', alpha=0.8)
     onselect(vmin, vmax)
-    cb1 = mpl.colorbar.ColorbarBase(ax1, cmap=cmap, norm=norm2, orientation='horizontal')
+    cb1 = matplotlib.colorbar.ColorbarBase(ax1, cmap=cmap, norm=norm2, orientation='horizontal')
 
     rectprops = dict(facecolor='blue', alpha=0.5)
 
-    span = mwidgets.SpanSelector(ax, onselect, 'horizontal', rectprops=rectprops)
+    span = matplotlib.widgets.SpanSelector(ax, onselect, 'horizontal', props=rectprops)
 
     cid = fig2.canvas.mpl_connect('button_press_event', onclick)
     return span
 
 
-def clean_svd(im, pixel_size=1, source_size=5):
-    """De-noising of image by using first component of single value decomposition"""
-    patch_size = int(source_size/pixel_size)
-    if patch_size < 3:
-        patch_size = 3
-    patches = image.extract_patches_2d(np.array(im), (patch_size, patch_size))
-    patches = patches.reshape(patches.shape[0], patches.shape[1]*patches.shape[2])
-
-    num_components = 32
-
-    u, s, v = randomized_svd(patches, num_components)
-    u_im_size = int(np.sqrt(u.shape[0]))
-    reduced_image = u[:, 0].reshape(u_im_size, u_im_size)
-    reduced_image = reduced_image/reduced_image.sum()*im.sum()
-    if isinstance(im, sidpy.Dataset):
-        reduced_image = im.like_data(reduced_image)
-    return reduced_image
-
-
-def rebin(im, binning=2):
-    """
-    rebin an image by the number of pixels in x and y direction given by binning
-
-    Parameter
-    ---------
-    image: numpy array in 2 dimensions
-
-    Returns
-    -------
-    binned image as numpy array
-    """
-    if len(im.shape) == 2:
-        return im.reshape((im.shape[0]//binning, binning, im.shape[1]//binning, binning)).mean(axis=3).mean(1)
-    else:
-        raise TypeError('not a 2D image')
-
-
-def cart2pol(points):
-    """Cartesian to polar coordinate conversion
-
-    Parameters
-    ---------
-    points: float or numpy array
-        points to be converted (Nx2)
-
-    Returns
-    -------
-    rho: float or numpy array
-        distance
-    phi: float or numpy array
-        angle
-    """
-
-    rho = np.linalg.norm(points[:, 0:2], axis=1)
-    phi = np.arctan2(points[:, 1], points[:, 0])
-    
-    return rho, phi
-
-
-def pol2cart(rho, phi):
-    """Polar to Cartesian coordinate conversion
-
-    Parameters
-    ----------
-    rho: float or numpy array
-        distance
-    phi: float or numpy array
-        angle
-
-    Returns
-    -------
-    x: float or numpy array
-        x coordinates of converted points(Nx2)
-    """
-
-    x = rho * np.cos(phi)
-    y = rho * np.sin(phi)
-    return x, y
-
-
-def xy2polar(points, rounding=1e-3):
-    """ Conversion from carthesian to polar coordinates
-
-    the angles and distances are sorted by r and then phi
-    The indices of this sort is also returned
-
-    Parameters
-    ----------
-    points: numpy array
-        number of points in axis 0 first two elements in axis 1 are x and y
-    rounding: int
-        optional rounding in significant digits
-
-    Returns
-    -------
-    r, phi, sorted_indices
-    """
-
-    r, phi = cart2pol(points)
-
-    phi = phi  # %np.pi # only positive angles
-    r = (np.floor(r/rounding))*rounding  # Remove rounding error differences
-
-    sorted_indices = np.lexsort((phi, r))  # sort first by r and then by phi
-    r = r[sorted_indices]
-    phi = phi[sorted_indices]
-
-    return r, phi, sorted_indices
-
-
-def cartesian2polar(x, y, grid, r, t, order=3):
-    """Transform cartesian grid to polar grid
-
-    Used by warp
-    """
-
-    rr, tt = np.meshgrid(r, t)
-
-    new_x = rr*np.cos(tt)
-    new_y = rr*np.sin(tt)
-
-    ix = interp1d(x, np.arange(len(x)))
-    iy = interp1d(y, np.arange(len(y)))
-
-    new_ix = ix(new_x.ravel())
-    new_iy = iy(new_y.ravel())
-
-    return ndimage.map_coordinates(grid, np.array([new_ix, new_iy]), order=order).reshape(new_x.shape)
-
-
-def warp(diff, center):
-    """Takes a diffraction pattern (as a sidpy dataset)and warps it to a polar grid"""
-
-    # Define original polar grid
-    nx = np.shape(diff)[0]
-    ny = np.shape(diff)[1]
-
-    # Define center pixel
-    pix2nm = np.gradient(diff.u.values)[0]
-
-    x = np.linspace(1, nx, nx, endpoint=True)-center[0]
-    y = np.linspace(1, ny, ny, endpoint=True)-center[1]
-    z = diff
-
-    # Define new polar grid
-    nr = int(min([center[0], center[1], diff.shape[0]-center[0], diff.shape[1]-center[1]])-1)
-    nt = 360 * 3
-
-    r = np.linspace(1, nr, nr)
-    t = np.linspace(0., np.pi, nt, endpoint=False)
-
-    return cartesian2polar(x, y, z, r, t, order=3).T
-
-
 def calculate_ctf(wavelength, cs, defocus, k):
     """ Calculate Contrast Transfer Function
 
@@ -1277,13 +639,11 @@ def get_rotation(experiment_spots, crystal_spots):
         positions (in 1/nm) of spots in diffractogram
     crystal_spots: numpy array (nx2)
         positions (in 1/nm) of Bragg spots according to kinematic scattering theory
-
     """
-
     r_experiment, phi_experiment = cart2pol(experiment_spots)
-    
+
     # get crystal spots of same length and sort them by angle as well
-    r_crystal, phi_crystal, crystal_indices = xy2polar(crystal_spots)
+    r_crystal, phi_crystal, _ = xy2polar(crystal_spots)
     angle_index = np.argmin(np.abs(r_experiment-r_crystal[1]))
     rotation_angle = phi_experiment[angle_index] % (2*np.pi) - phi_crystal[1]
     print(phi_experiment[angle_index])
@@ -1296,8 +656,6 @@ def get_rotation(experiment_spots, crystal_spots):
 
 def calibrate_image_scale(fft_tags, spots_reference, spots_experiment):
     """depreciated get change of scale from comparison of spots to Bragg angles """
-    gx = fft_tags['spatial_scale_x']
-    gy = fft_tags['spatial_scale_y']
 
     dist_reference = np.linalg.norm(spots_reference, axis=1)
     distance_experiment = np.linalg.norm(spots_experiment, axis=1)
@@ -1311,7 +669,8 @@ def calibrate_image_scale(fft_tags, spots_reference, spots_experiment):
         return np.sqrt((xdata * dgx) ** 2 + (ydata * dgy) ** 2) - dist_reference.min()
 
     x0 = [1.001, 0.999]
-    [dg, sig] = optimization.leastsq(func, x0, args=(closest_exp_reflections[:, 0], closest_exp_reflections[:, 1]))
+    [dg, _] = scipy.optimize.leastsq(func, x0, args=(closest_exp_reflections[:, 0],
+                                                       closest_exp_reflections[:, 1]))
     return dg
 
 
@@ -1321,11 +680,10 @@ def align_crystal_reflections(spots, crystals):
     crystal_reflections_polar = []
     angles = []
     exp_r, exp_phi = cart2pol(spots)  # just in polar coordinates
-    spots_polar = np.array([exp_r, exp_phi])
 
-    for i in range(len(crystals)):
-        tags = crystals[i]
-        r, phi, indices = xy2polar(tags['allowed']['g'])  # sorted by r and phi , only positive angles
+    for tags in crystals:
+        # sorted by r and phi , only positive angles
+        r, phi, indices = xy2polar(tags['allowed']['g'])
         # we mask the experimental values that are found already
         angle = 0.
 
@@ -1335,126 +693,7 @@ def align_crystal_reflections(spots, crystals):
 
         crystal_reflections_polar.append([r, angle + phi, indices])
         tags['allowed']['g_rotated'] = pol2cart(r, angle + phi)
-        for spot in tags['allowed']['g']:
+        """for spot in tags['allowed']['g']:
             dif = np.linalg.norm(spots[:, 0:2]-spot[0:2], axis=1)
-            # print(dif.min())
-            if dif.min() < 1.5:
-                ind = np.argmin(dif)
-
+        """
     return crystal_reflections_polar, angles
-
-
-# Deconvolution
-def decon_lr(o_image, probe,  verbose=False):
-    """
-    # This task generates a restored image from an input image and point spread function (PSF) using
-    # the algorithm developed independently by Lucy (1974, Astron. J. 79, 745) and Richardson
-    # (1972, J. Opt. Soc. Am. 62, 55) and adapted for HST imagery by Snyder
-    # (1990, in Restoration of HST Images and Spectra, ST ScI Workshop Proceedings; see also
-    # Snyder, Hammoud, & White, JOSA, v. 10, no. 5, May 1993, in press).
-    # Additional options developed by Rick White (STScI) are also included.
-    #
-    # The Lucy-Richardson method can be derived from the maximum likelihood expression for data
-    # with a Poisson noise distribution. Thus, it naturally applies to optical imaging data such as HST.
-    # The method forces the restored image to be positive, in accord with photon-counting statistics.
-    #
-    # The Lucy-Richardson algorithm generates a restored image through an iterative method. The essence
-    # of the iteration is as follows: the (n+1)th estimate of the restored image is given by the nth estimate
-    # of the restored image multiplied by a correction image. That is,
-    #
-    #                            original data
-    #       image    = image    ---------------  * reflect(PSF)
-    #            n+1        n     image * PSF
-    #                                  n
-
-    # where the *'s represent convolution operators and reflect(PSF) is the reflection of the PSF, i.e.
-    # reflect((PSF)(x,y)) = PSF(-x,-y). When the convolutions are carried out using fast Fourier transforms
-    # (FFTs), one can use the fact that FFT(reflect(PSF)) = conj(FFT(PSF)), where conj is the complex conjugate
-    # operator.
-    """
-
-    if len(o_image) < 1:
-        return o_image
-
-    if o_image.shape != probe.shape:
-        print('Weirdness ', o_image.shape, ' != ', probe.shape)
-
-    probe_c = np.ones(probe.shape, dtype=np.complex64)
-    probe_c.real = probe
-
-    error = np.ones(o_image.shape, dtype=np.complex64)
-    est = np.ones(o_image.shape, dtype=np.complex64)
-    source = np.ones(o_image.shape, dtype=np.complex64)
-    o_image = o_image - o_image.min()
-    image_mult = o_image.max()
-    o_image = o_image / o_image.max()
-    source.real = o_image
-
-    response_ft = fftpack.fft2(probe_c)
-
-    ap_angle = o_image.metadata['experiment']['convergence_angle']
-    if ap_angle > .1:
-        ap_angle /= 1000  # now in rad
-
-    e0 = float(o_image.metadata['experiment']['acceleration_voltage'])
-
-    wl = get_wavelength(e0)
-    o_image.metadata['experiment']['wavelength'] = wl
-
-    over_d = 2 * ap_angle / wl
-
-    dx = o_image.x[1]-o_image.x[0]
-    dk = 1.0 / float(o_image.x[-1])  # last value of x-axis is field of view
-    screen_width = 1 / dx
-
-    aperture = np.ones(o_image.shape, dtype=np.complex64)
-    # Mask for the aperture before the Fourier transform
-    n = o_image.shape[0]
-    size_x = o_image.shape[0]
-    size_y = o_image.shape[1]
-    app_ratio = over_d / screen_width * n
-
-    theta_x = np.array(-size_x / 2. + np.arange(size_x))
-    theta_y = np.array(-size_y / 2. + np.arange(size_y))
-    t_xv, t_yv = np.meshgrid(theta_x, theta_y)
-
-    tp1 = t_xv ** 2 + t_yv ** 2 >= app_ratio ** 2
-    aperture[tp1.T] = 0.
-    # print(app_ratio, screen_width, dk)
-
-    progress = tqdm(total=500)
-    # de = 100
-    dest = 100
-    i = 0
-    while abs(dest) > 0.0001:  # or abs(de)  > .025:
-        i += 1
-        error_old = np.sum(error.real)
-        est_old = est.copy()
-        error = source / np.real(fftpack.fftshift(fftpack.ifft2(fftpack.fft2(est) * response_ft)))
-        est = est * np.real(fftpack.fftshift(fftpack.ifft2(fftpack.fft2(error) * np.conjugate(response_ft))))
-        
-        error_new = np.real(np.sum(np.power(error, 2))) - error_old
-        dest = np.sum(np.power((est - est_old).real, 2)) / np.sum(est) * 100
-        
-        if error_old != 0:
-            de = error_new / error_old * 1.0
-        else:
-            de = error_new
-
-        if verbose:
-            print(
-                ' LR Deconvolution - Iteration: {0:d} Error: {1:.2f} = change: {2:.5f}%, {3:.5f}%'.format(i, error_new,
-                                                                                                          de,
-                                                                                                          abs(dest)))
-        if i > 500:
-            dest = 0.0
-            print('terminate')
-        progress.update(1)
-    progress.write(f"converged in {i} iterations")
-    print('\n Lucy-Richardson deconvolution converged in ' + str(i) + '  iterations')
-    est2 = np.real(fftpack.ifft2(fftpack.fft2(est) * fftpack.fftshift(aperture)))*image_mult
-    out_dataset = o_image.like_data(est2)
-    out_dataset.title = 'Lucy Richardson deconvolution'
-    out_dataset.data_type = 'image'
-    return out_dataset
-