{ "sample_uid": "f005_simulation_data6_b0cc2a63__sample_000013", "sample_name": "f005_simulation_data6_b0cc2a63__sample_000013", "original_sample_name": "sample_000013", "original_sample_id": "000013", "selection_rank": 2, "pool_index": 263, "source_index": 5, "source_file_name": "simulation_data6.hdf5", "source_file": "/gpfs/scratch/ailab/ai4physic/gendata3/simulation_data6.hdf5", "split": "test", "seed": 20260624, "sample_seed": 20260626, "hdf5_group": "/test/sample_000013", "measurement_shape": [ 16, 16, 128, 128 ], "raw_measurement_shape": [ 16, 16, 128, 128 ], "measurement_noise": { "enabled": true, "profile": "pretrain_physical_noise_for_ptyrad_intensity", "note": "Applied Poisson + charge sharing + read noise + nonnegative clamp; skipped pretrain sqrt/z-score so PtyRAD receives nonnegative intensities.", "sample_seed": 20260626, "dose_per_area_e_per_angstrom2": 1370170.314458269, "dose_range_e_per_angstrom2": [ 100000.0, 1500000.0 ], "scan_step_size_angstrom": 0.5299999713897705, "electrons_per_probe": 384880.7997783885, "charge_sharing_sigma_px": 0.22333286786118878, "charge_sharing_sigma_range_px": [ 0.2, 0.5 ], "read_noise_std_counts": 0.02021588415972253, "read_noise_std_range_counts": [ 0.02, 0.05 ], "charge_sharing_weak_threshold": 20, "charge_sharing_radius": 2, "charge_sharing_image_chunk_size": 256, "charge_sharing_event_chunk_size": 100000, "noise_device": "cuda", "input_min_mean_max": [ 2.8581411439301083e-19, 6.0882066463818774e-05, 0.004229934886097908 ], "output_min_mean_max": [ 0.0, 6.089553426136263e-05, 0.004357500467449427 ] }, "ideal_potential_shape": [ 6, 128, 128 ], "metadata": { "C10": -401.2518310546875, "C12": -13.184317588806152, "C21": 187.379150390625, "C23": -814.6881713867188, "C30": 10371734.0, "C32": 10346.3359375, "C34": -11791.021484375, "C41": -443766.78125, "C43": 234443.1875, "C45": -299696.40625, "C50": 12290260.0, "C52": -17827392.0, "C54": 1032114.5625, "C56": -15998074.0, "chromatic": 11545546.0, "crystal_type": "Hexagonal", "d_90": 9.55685043334961, "debye_temperature": 176.2496795654297, "energy_spread": 0.4009521007537842, "global_index": 5374, "ideal_potential_num_slices": 6, "material_id": "mp-19816", "material_key": "material_565", "num_probes": 9, "phi12": 1.2627971172332764, "phi21": 6.1266913414001465, "phi23": 4.398950099945068, "phi32": 5.872093200683594, "phi34": 2.031510829925537, "phi41": 5.793376445770264, "phi43": 0.9870206117630005, "phi45": 2.2419209480285645, "phi52": 5.760724067687988, "phi54": 6.221345901489258, "phi56": 1.3133814334869385, "phonon_seed": 1542359519, "probe_energy": 200000.0, "sample_id": 13, "scan_step_size": 0.5299999713897705, "semiangle_cutoff": 9.91810131072998, "source_size": 0.31555500626564026 }, "groundtruth_phase": { "source_ideal_potential_shape": [ 6, 128, 128 ], "full_2d_shape": [ 128, 128 ], "canonical_center_crop_pixels": 64, "canonical_shape": [ 64, 64 ], "valid_scan_intervals": 15, "phase_build_extent_angstrom": 15.9, "phase_build_pixels": 128, "phase_pixel_size_angstrom": 0.12421875, "scan_step_size_angstrom": 0.5299999713897705, "valid_side_angstrom": 7.949999570846558, "valid_side_pixels_before_resize": 64, "valid_shape_before_resize": [ 64, 64 ], "target_shape": [ 41, 41 ], "resized_to_target_shape": true, "final_shape": [ 41, 41 ] }, "groundtruth_note": "Ground truth was center-cropped/resized to exactly match PtyRAD fov='crop' phase shape.", "reconstruction_phase": { "object_phase_shape": [ 1, 1, 41, 41 ], "phase_reduction": "single object mode, single slice: arr[0, 0]", "source": "ptyrad.analysis.Analyzer.get_object_phase", "fov": "crop", "fov_info": { "fov_bbox_ymin_ymax_xmin_xmax": [ 80, 120, 80, 120 ], "probe_shape": [ 128, 128 ], "crop_shape": [ 41, 41 ], "crop_rule": "center positions = crop_pos + probe_shape // 2; bbox bounds are inclusive" }, "model_attributes": { "dx": 0.20000000298023224, "dk": 0.0390625, "meas_Npix": 128, "simu_Npix": 128, "slice_thickness": 20.0 }, "final_2d_shape": [ 41, 41 ] }, "metric_shape": [ 41, 41 ] }