File size: 4,055 Bytes
f7a43ab | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 | # Agent input data
输入 zip 为 stem_strain_input.zip，解压后包含：
1. diffraction_peaks.csv：2142 行（357 scan points × 6 peaks）；含 point_id、grid_i/j、scan x/y（nm）、h/k、raw qx/qy（nm-1）、intensity_counts 和 peak_sigma_nm_inv，无 strain/hotspot/exclusion 标签。
2. detector_calibration_peaks.csv：16 条独立标准样倒易矢量；含 calibration_id、raw q、certified q 和 certified sigma，用于二维仿射标定。
3. reference_reciprocal_lattice.csv：1 行；未变形参考倒易基 B 的 b11/b12/b21/b22（nm-1）及 q=B@[h,k] 约定。
4. roi_definitions.csv：ALL、MATRIX_LEFT、HOTSPOT、MATRIX_RIGHT 四个矩形报告区的坐标边界。
5. analysis_config.json：扫描形状、列向量/倒易变换约定、应变定义、主方向口径、中心线位置和公开 QC 阈值。
6. README_input.md：数据采集、标定、单位、峰索引、轴向角和物理仿真来源说明。
所有 CSV 为 UTF-8 逗号分隔且无缺失值。数据基于平滑弹性形变场、倒易晶格运动学、探测器仿射畸变和非零峰位/强度噪声构造。
## Annotator input notes
# Indexed 4D-STEM nanobeam diffraction dataset
The input represents a 21 by 17 scan with 20 nm spacing. Six indexed diffraction vectors were retained at every scan position. `diffraction_peaks.csv` contains detector-coordinate q vectors, scan coordinates, h/k indices, integrated intensity and peak-position uncertainty; it contains no strain, hotspot or exclusion label.
`detector_calibration_peaks.csv` contains an independent diffraction standard measured in the same detector geometry, with raw and certified reciprocal vectors. The calibration includes scale, shear, rotation-like cross terms and beam-center offset. `reference_reciprocal_lattice.csv` gives the unstrained reciprocal basis in sample coordinates. `roi_definitions.csv` specifies reporting regions only.
All q values are in nm-1 and use column vectors. The reciprocal/real-space convention, polar-strain definition, line-profile position and public QC limits are in `analysis_config.json`. Principal directions are axial, so 0 and 180 degrees are equivalent.
The records are physics-based synthetic 4D-STEM peak lists generated from a smooth elastic strain/rotation field, reciprocal-lattice inverse-transpose kinematics, detector affine distortion and nonzero peak-position/intensity noise. They contain no private sample, facility or personnel data.
## File inventory
| file | bytes |
|---|---:|
| `README_input.md` | 1335 |
| `analysis_config.json` | 603 |
| `detector_calibration_peaks.csv` | 1088 |
| `diffraction_peaks.csv` | 231265 |
| `reference_reciprocal_lattice.csv` | 152 |
| `roi_definitions.csv` | 141 |
## Computed numeric profile
### `detector_calibration_peaks.csv`
Rows: 16; columns: 6.
| column | min | max | missing |
|---|---:|---:|---:|
| `qx_raw_nm_inv` | -14.9785 | 14.640047 | 0 |
| `qy_raw_nm_inv` | -15.022021 | 15.22775 | 0 |
| `qx_certified_nm_inv` | -15 | 15 | 0 |
| `qy_certified_nm_inv` | -15 | 15 | 0 |
| `certified_sigma_nm_inv` | 0.002 | 0.002 | 0 |
### `diffraction_peaks.csv`
Rows: 2142; columns: 11.
| column | min | max | missing |
|---|---:|---:|---:|
| `grid_i` | 0 | 20 | 0 |
| `grid_j` | 0 | 16 | 0 |
| `scan_x_nm` | 0 | 400 | 0 |
| `scan_y_nm` | 0 | 320 | 0 |
| `h` | -1 | 1 | 0 |
| `k` | -1 | 1 | 0 |
| `qx_raw_nm_inv` | -15.774374 | 15.613051 | 0 |
| `qy_raw_nm_inv` | -15.645011 | 15.955374 | 0 |
| `intensity_counts` | 7636.4442 | 10796.721 | 0 |
| `peak_sigma_nm_inv` | 0.0048 | 0.0072 | 0 |
### `reference_reciprocal_lattice.csv`
Rows: 1; columns: 6.
| column | min | max | missing |
|---|---:|---:|---:|
| `b11_nm_inv` | 15.82 | 15.82 | 0 |
| `b12_nm_inv` | 0.38 | 0.38 | 0 |
| `b21_nm_inv` | -0.21 | -0.21 | 0 |
| `b22_nm_inv` | 15.55 | 15.55 | 0 |
### `roi_definitions.csv`
Rows: 4; columns: 5.
| column | min | max | missing |
|---|---:|---:|---:|
| `x_min_nm` | 0 | 320 | 0 |
| `x_max_nm` | 100 | 400 | 0 |
| `y_min_nm` | 0 | 80 | 0 |
| `y_max_nm` | 240 | 320 | 0 |
|