Venon28/SAXS

--- license: other license_name: license license_link: LICENSE tags: - medical - chemistry - saxs - small-angle-x-ray-scattering - nanoparticles - synthetic-data - physics-simulation - materials-science - scattering - machine-learning - deep-learning pretty_name: SAXS Scattering Curves Dataset size_categories: - 100K<n<1M task_categories: - tabular-regression - tabular-classification --- # 📡 SAXS Synthetic Scattering Curves Dataset > **Thousands of physically accurate Small Angle X-ray Scattering (SAXS) curves, generated from rigorous physical models.** --- ## 🔬 What is this dataset? This dataset provides synthetic **SAXS intensity curves I(q)** generated using validated physical scattering models (via [SASmodels](https://github.com/SasView/sasmodels)), covering a wide range of nanoparticle shapes, materials, sizes, and concentrations. Each curve is **fully labelled** with its physical parameters, making it immediately usable for: - Training ML models to **predict nanoparticle parameters from experimental curves** - **Benchmarking** fitting algorithms - **Data augmentation** for experimental datasets - Developing **automated analysis pipelines** --- ## 📊 Sample Visualization *(See attached figures in the dataset repository)* --- ## 💼 Versions & Pricing This page hosts a **free sample** (~100 curves). Full commercial versions are available on [Gumroad →](https://venon28.gumroad.com/) | Tier | Curves | Shape | Material | Price | |---|---|---|---|---| | **Sample** (this page) | 100 | sphere | ag | Free | | [ag_sphere](https://venon28.gumroad.com/l/ipyyeu) | 100k | Sphere | Ag | 49€ | | [au_sphere](https://venon28.gumroad.com/l/bmoiw) | 100k | Sphere | Au | 49€ | | [sio2_sphere](https://venon28.gumroad.com/l/noathn) | 100k | Sphere | SiO2 | 49€ | | [latex_sphere](https://venon28.gumroad.com/l/silrpc) | 100k | Sphere | Latex | 49€ | | [ag_cylinder](https://venon28.gumroad.com/l/veduiq) | 100k | Cylinder | Ag | 79€ | | [au_cylinder](https://venon28.gumroad.com/l/qikxjv) | 100k | Cylinder | Au | 79€ | | [sio2_cylinder](https://venon28.gumroad.com/l/imkld) | 100k | Cylinder | SiO2 | 79€ | | [latex_cylinder](https://venon28.gumroad.com/l/dkepz) | 100k | Cylinder | Latex | 79€ | | **Custom** | Unlimited | Custom | Custom | On request | --- ## 🚀 Ploting function exemple ```python import h5py import numpy as np import matplotlib.pyplot as plt def plotSaxs(h5_path, index_to_plot=0): with h5py.File(h5_path, 'r') as f: # Extract Data q = f.attrs['q'] intensities = f['intensities'][index_to_plot] material = f.attrs.get('material', 'Unknown').upper() shape = f.attrs.get('shape', 'Unknown').capitalize() # Extract specific metadata for the legend params_str = "" for k in f.keys(): if k == 'intensities': continue val = f[k][index_to_plot] params_str += f"{k}: {val:.2f} | " # Plotting Setup plt.rcParams.update({ 'font.size': 12, 'axes.labelsize': 14, 'xtick.labelsize': 12, 'ytick.labelsize': 12, 'legend.fontsize': 10, 'lines.linewidth': 2, 'figure.dpi': 200 }) fig, ax = plt.subplots(figsize=(9, 5)) # main curve ax.loglog(q, intensities, color='#1f77b4', label=f"{material} {shape}") ax.set_xlabel(r'Scattering Vector $q$ ($\mathring{A}^{-1}$)') ax.set_ylabel(r'Intensity $I(q)$ ($cm^{-1}$)') ax.set_title(f'Simulated SAXS Profile: {material} {shape}', pad=15) # Styling the Grid and Spines ax.grid(True, which="both", ls="-", alpha=0.2) ax.spines['top'].set_visible(False) ax.spines['right'].set_visible(False) # Adding metadata info as a text box or legend props = dict(boxstyle='round', facecolor='white', alpha=0.5) ax.text(0.05, 0.05, params_str.rstrip(' | '), transform=ax.transAxes, fontsize=9, verticalalignment='bottom', bbox=props) ax.legend(frameon=False) plt.tight_layout() # Save as PDF or TIFF save_path = h5_path.replace('.h5', '.tiff') plt.savefig(save_path) print(f"Plot saved to: {save_path}") plt.show() ``` --- ## 📄 License This dataset is released under a **Commercial Restricted License**. - ✅ Academic and research use: **free** - ✅ Internal ML training: **free for non-commercial entities** - ❌ Commercial use (products, services, APIs): **requires a paid license** See [LICENSE](./LICENSE) for full terms. --- ## 📬 Contact & Custom Orders Need a specific material, shape, q-range, or instrument noise model? → **[Contact via Gumroad](https://venon28.gumroad.com/)** or open a Discussion on this page. --- ## 📖 Citation If you use this dataset in academic work, please cite: ```bibtex @dataset{saxs_2026, author = {Thevenon, Esteban}, title = {SAXS Synthetic Scattering Curves Dataset}, year = {2026}, publisher = {Hugging Face}, url = {https://huggingface.co/datasets/Venon28/SAXS} } ```license: 其他 license_name: 许可证 license_link: LICENSE tags: - 医学 - 化学 - SAXS - 小角度X射线散射（Small Angle X-ray Scattering） - 纳米颗粒 - 合成数据 - 物理模拟 - 材料科学 - 散射 - 机器学习 - 深度学习 pretty_name: SAXS散射曲线数据集 size_categories: - 100000 < 样本数 < 1000000 task_categories: - 表格回归 - 表格分类 --- # 📡 SAXS合成散射曲线数据集 > **数千条基于严格物理模型生成、具备物理真实性的小角度X射线散射（Small Angle X-ray Scattering, SAXS）曲线。** --- ## 🔬 本数据集简介 本数据集提供了通过经过验证的物理散射模型（借助[SASmodels](https://github.com/SasView/sasmodels)实现）生成的合成**SAXS强度曲线I(q)**，涵盖了多种纳米颗粒的形状、材料、尺寸与浓度范围。 每条曲线均附带完整的物理参数标注，可直接用于以下场景： - 训练机器学习模型以**从实验散射曲线预测纳米颗粒参数** - 对拟合算法进行**基准测试** - 为实验数据集提供**数据增强** - 开发**自动化分析流程** --- ## 📊 样本可视化 *(详见数据集仓库中的附带图表) --- ## 💼 版本与定价 本页面仅提供**免费样本**（约100条曲线）。完整商业版本可在[Gumroad →](https://venon28.gumroad.com/)获取。 | 版本层级 | 曲线数量 | 颗粒形状 | 材料 | 价格 | |---|---|---|---|---| | **样本**（本页面） | 100 | 球形 | 银（Ag） | 免费 | | [ag_sphere](https://venon28.gumroad.com/l/ipyyeu) | 100000 | 球形 | 银（Ag） | 49欧元 | | [au_sphere](https://venon28.gumroad.com/l/bmoiw) | 100000 | 球形 | 金（Au） | 49欧元 | | [sio2_sphere](https://venon28.gumroad.com/l/noathn) | 100000 | 球形 | 二氧化硅（SiO₂） | 49欧元 | | [latex_sphere](https://venon28.gumroad.com/l/silrpc) | 100000 | 球形 | 乳胶 | 49欧元 | | [ag_cylinder](https://venon28.gumroad.com/l/veduiq) | 100000 | 圆柱形 | 银（Ag） | 79欧元 | | [au_cylinder](https://venon28.gumroad.com/l/qikxjv) | 100000 | 圆柱形 | 金（Au） | 79欧元 | | [sio2_cylinder](https://venon28.gumroad.com/l/imkld) | 100000 | 圆柱形 | 二氧化硅（SiO₂） | 79欧元 | | [latex_cylinder](https://venon28.gumroad.com/l/dkepz) | 100000 | 圆柱形 | 乳胶 | 79欧元 | | **定制版** | 无限 | 定制 | 定制 | 面议 | --- ## 🚀 绘图函数示例 python import h5py import numpy as np import matplotlib.pyplot as plt def plotSaxs(h5_path, index_to_plot=0): with h5py.File(h5_path, 'r') as f: # Extract Data q = f.attrs['q'] intensities = f['intensities'][index_to_plot] material = f.attrs.get('material', 'Unknown').upper() shape = f.attrs.get('shape', 'Unknown').capitalize() # Extract specific metadata for the legend params_str = "" for k in f.keys(): if k == 'intensities': continue val = f[k][index_to_plot] params_str += f"{k}: {val:.2f} | " # Plotting Setup plt.rcParams.update({ 'font.size': 12, 'axes.labelsize': 14, 'xtick.labelsize': 12, 'ytick.labelsize': 12, 'legend.fontsize': 10, 'lines.linewidth': 2, 'figure.dpi': 200 }) fig, ax = plt.subplots(figsize=(9, 5)) # main curve ax.loglog(q, intensities, color='#1f77b4', label=f"{material} {shape}") ax.set_xlabel(r'Scattering Vector $q$ ($mathring{A}^{-1}$)') ax.set_ylabel(r'Intensity $I(q)$ ($cm^{-1}$)') ax.set_title(f'Simulated SAXS Profile: {material} {shape}', pad=15) # Styling the Grid and Spines ax.grid(True, which="both", ls="-", alpha=0.2) ax.spines['top'].set_visible(False) ax.spines['right'].set_visible(False) # Adding metadata info as a text box or legend props = dict(boxstyle='round', facecolor='white', alpha=0.5) ax.text(0.05, 0.05, params_str.rstrip(' | '), transform=ax.transAxes, fontsize=9, verticalalignment='bottom', bbox=props) ax.legend(frameon=False) plt.tight_layout() # Save as PDF or TIFF save_path = h5_path.replace('.h5', '.tiff') plt.savefig(save_path) print(f"Plot saved to: {save_path}") plt.show() --- ## 📄 许可证 本数据集采用**商业限制许可证**发布。 - ✅ 学术和研究用途：**免费** - ✅ 内部机器学习训练：**非商业实体可免费使用** - ❌ 商业用途（产品、服务、API）：**需购买付费许可证** 详见[LICENSE](./LICENSE)获取完整条款。 --- ## 📬 联系与定制订单 需要特定材料、形状、q范围或仪器噪声模型？ → **[通过Gumroad联系](https://venon28.gumroad.com/)**或在本页面开启讨论。 --- ## 📖 引用说明 若您在学术工作中使用本数据集，请引用： bibtex @dataset{saxs_2026, author = {Thevenon, Esteban}, title = {SAXS Synthetic Scattering Curves Dataset}, year = {2026}, publisher = {Hugging Face}, url = {https://huggingface.co/datasets/Venon28/SAXS} }