tBL-WSe2

tBL-WSe2#

 1# Created with PtyRAD 0.1.0b13
 2# Documentation: https://ptyrad.readthedocs.io/en/latest/
 3# Detailed description for each option: https://ptyrad.readthedocs.io/en/latest/_autosummary/ptyrad.params.html
 4
 5# Demo params file for tBL-WSe2 dataset (https://doi.org/10.1126/science.adl2029).
 6
 7# Note that these parameters are highly customized for this dataset, 
 8# DON'T direcly copy it for your datasets, as the regularization / constraints might be relatively too strong,
 9# and can cause inaccurate results or quantativeness issues.
10# Start from params/templates/ and refine it as suggested in params/walkthrough/
11
12init_params:
13    # Experimental params
14    probe_kv               : 80 # [kV] Acceleration voltage
15    probe_conv_angle       : 24.9 # [mrad] Semi-convergence angle for probe-forming aperture
16    probe_aberrations      : {'C10': 0} # [Angstrom, degree] Aberration coefficients in Krivanel polar notations. C10 = -df, and positive C10 refers to overfocus (stronger lens).  
17    meas_Npix              : 128 # Detector pixel number, EMPAD is 128. Only supports square detector for simplicity
18    pos_N_scan_slow        : 128 # Number of scan position along slow scan direction. Usually it's the vertical direction of acquisition GUI
19    pos_N_scan_fast        : 128 # Number of scan position along fast scan direction. Usually it's the horizontal direction of acquisition GUI
20    pos_scan_step_size     : 0.4290 # [Angstrom] Step size between probe positions in a rectangular raster scan pattern
21    # Model complexity
22    probe_pmode_max        : 6 # Maximum number of mixed probe modes
23    obj_Nlayer             : 6 # Number of slices for multislice object
24    obj_slice_thickness    : 2 # [Angstrom] Slice thickness (propagation distance) for multislice ptychography. Typical values are between 1 to 20 Ang.
25    # Preprocessing
26    meas_permute           : null # Permute meas array with a list of ints to reorder datasets into (N_scans, ky, kx) if needed.
27    meas_reshape           : null # Reshape meas array with a list of 3 ints to convert the 4D diffraction dataset (Ry,Rx,ky,kx) into 3D (N_scans,ky,kx) for PtyRAD.
28    meas_flipT             : [1,0,0] # Flip meas orientation with a list of 3 binary booleans (0 or 1) as [flipud, fliplr, transpose]
29    pos_scan_affine        : null # Affine transformation [scale, asymmetry, rotation, shear] of scan patterns. e.g, [1,0,3,0], rotation and shear are in unit of degree.
30    # Input source and params
31    meas_params            : {'path': 'data/tBL_WSe2/Panel_g-h_Themis/scan_x128_y128.raw', 'key': null} # Supports EMPAD .raw, .hdf5, .mat, and .tif
32
33loss_params:
34    loss_single: {'state': true, 'weight': 1.0, 'dp_pow': 0.5} # Amplitude noise model for typical dataset (dose-sufficient) under the maximum-likelihood formalism
35    loss_sparse: {'state': true, 'weight': 0.1, 'ln_order': 1} # L_n norm sparsity regularization calculated for object phase ('objp')
36
37constraint_params:
38    obj_zblur     : {'start_iter': 1,    'step': 1, 'end_iter': null, 'obj_type': 'both', 'kernel_size': 5, 'std': 1} # Apply a "z-direction" 1D Gaussian blur to the object.
39    objp_postiv   : {'start_iter': 1,    'step': 1, 'end_iter': null, 'relax': 0} # Apply a positivity constraint of the object phase by clipping negative values
40
41recon_params:
42    NITER: 200 # Total number of reconstruction iterations. 1 iteration means a full pass of all selected diffraction patterns.
43    BATCH_SIZE: {'size': 32, 'grad_accumulation': 1} # Number of diffraction patterns processed simultaneously to get the gradient update.
44    SAVE_ITERS: 10 # Number of completed iterations before saving the current reconstruction results (model, probe, object) and summary figures.
45    output_dir: 'output/tBL_WSe2/'
46    recon_dir_affixes: ['minimal', 'constraint', 'loss'] # Customizable affixes of reconstruction folder name with presets like 'minimal', 'default', 'all'. See docs for 19 more detailed controls.