一种面向原子对分布函数的数据库构建方法
By constructing a database based on the atomic pair distribution function, the problems of inconsistent PDF data format and poor reproducibility were solved, enabling automated data processing and efficient retrieval, and improving the data management capabilities of materials science research.
Patent Information
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- TONGJI UNIV
- Filing Date
- 2025-12-02
- Publication Date
- 2026-07-17
AI Technical Summary
Existing PDF experimental data lacks a unified format, processing parameters cannot be automatically extracted, data is not reproducible, quality is difficult to quantify and assess, and there is a lack of efficient retrieval and traceability management. This results in inconsistent data, poor reproducibility, and low retrieval efficiency, making it difficult to meet the needs of high-throughput scientific research and artificial intelligence applications in materials science.
By receiving and parsing atomic pair distribution function data, performing parameter consistency checks and standardized storage, calculating quality scores using cosine similarity, verifying data reproducibility, evaluating structure fit through weighted residual factors, supporting logical expression retrieval and multi-condition filtering, and providing traceable management.
It enables automated parameter extraction and standardized storage of PDF data, improves data reproducibility and comparability, enhances retrieval efficiency, supports efficient structure fitting and model evaluation, and meets the needs of high-throughput scientific research and artificial intelligence.
Smart Images
Figure CN121658686B_ABST