{ "sample_uid": "f034_simulation_data2_770bee21__sample_000031", "sample_name": "f034_simulation_data2_770bee21__sample_000031", "original_sample_name": "sample_000031", "original_sample_id": "000031", "selection_rank": 6, "pool_index": 1286, "source_index": 34, "source_file_name": "simulation_data2.hdf5", "source_file": "/gpfs/scratch/ailab/ai4physic/c30_small/simulation_data2.hdf5", "split": "test", "seed": 20260624, "sample_seed": 20260630, "hdf5_group": "/test/sample_000031", "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": 20260630, "dose_per_area_e_per_angstrom2": 662363.7659548009, "dose_range_e_per_angstrom2": [ 100000.0, 1500000.0 ], "scan_step_size_angstrom": 0.32693320512771606, "electrons_per_probe": 70796.96348789154, "charge_sharing_sigma_px": 0.3575963783378047, "charge_sharing_sigma_range_px": [ 0.2, 0.5 ], "read_noise_std_counts": 0.020057850486180497, "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": [ 3.018520866452542e-19, 6.09802154940553e-05, 0.004164824262261391 ], "output_min_mean_max": [ 0.0, 6.107737135607749e-05, 0.004434080328792334 ] }, "ideal_potential_shape": [ 7, 128, 128 ], "metadata": { "C10": -17.336061477661133, "C12": -26.86164093017578, "C21": 336.6799011230469, "C23": -121.27379608154297, "C30": 3645067.75, "C32": -5922.4150390625, "C34": -3966.7568359375, "C41": -220474.015625, "C43": -387137.1875, "C45": -187434.875, "C50": 280867296.0, "C52": -12314225.0, "C54": 10058172.0, "C56": 13698078.0, "chromatic": 14631543.0, "crystal_type": "Cubic", "d_90": 6.939780235290527, "debye_temperature": 695.6400756835938, "energy_spread": 0.3843620717525482, "global_index": 1658, "ideal_potential_num_slices": 7, "material_id": "mp-961650", "material_key": "material_1658", "num_probes": 10, "phi12": 5.521120548248291, "phi21": 1.9006394147872925, "phi23": 5.610154151916504, "phi32": 3.1347808837890625, "phi34": 3.6065073013305664, "phi41": 4.919930934906006, "phi43": 4.581060409545898, "phi45": 0.274361252784729, "phi52": 0.7832724452018738, "phi54": 2.1448049545288086, "phi56": 3.7781665325164795, "phonon_seed": 1881615466, "probe_energy": 200000.0, "sample_id": 31, "scan_step_size": 0.32693320512771606, "semiangle_cutoff": 9.28663158416748, "source_size": 0.3762793242931366 }, "groundtruth_phase": { "source_ideal_potential_shape": [ 7, 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": 0.32693320512771606, "valid_side_angstrom": 4.903998076915741, "valid_side_pixels_before_resize": 39, "valid_shape_before_resize": [ 39, 39 ], "target_shape": [ 26, 26 ], "resized_to_target_shape": true, "final_shape": [ 26, 26 ] }, "groundtruth_note": "Ground truth was center-cropped/resized to exactly match PtyRAD fov='crop' phase shape.", "reconstruction_phase": { "object_phase_shape": [ 1, 1, 26, 26 ], "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": [ 78, 103, 79, 104 ], "probe_shape": [ 128, 128 ], "crop_shape": [ 26, 26 ], "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": [ 26, 26 ] }, "metric_shape": [ 26, 26 ] }