## Appendix A Metadata Examples for XAFS Standard Samples  
This appendix provides metadata examples of XAFS standard samples designed to ensure reproducibility, transparency, and interoperability. Metadata are organized into categories: data_info (Table A1) for general dataset information such as identifiers and timestamps, sample (Table A2) for details such as composition and preparation, measurement (Table A3) for conditions such as methods and timing, instrument (Table A4) for beamline frontend setups and detector configurations, dataset (Table A5) for processed data attributes such as file formats and steps, analysis (Table A6) for fitting parameters and software details, and entry (Table A7) for linking raw data, results, and analyses. Although a facility category exists, it is omitted here because of its simplicity and limited relevance to XAFS-specific metadata. Nested attributes (e.g., @data_info@identifier@pid) and the \"-\" symbol for list elements enable clear and flexible documentation of complex datasets. The framework adopts principles from established practices to ensure compatibility with broader informatics systems. Automation tools, templates, and PIDs enhance consistency and traceability, supporting advanced analyses, cross-experimental comparisons, and FAIR data practices. \begin{table}
\begin{tabular}{l l l} \hline \hline
**Key** & **Value** & **Remarks** \\ \hline @data\_info@identifier@pid & spring8.65a277 ec-74 fd4-4552-9056- & Persistent data ID \\ @data\_info@identifier@proposal\_number & 6a89e68b835 & Experimental Proposal number \\ @data\_info@date@create\_time & 2024-08e 16:39:14 & \\ @data\_info@date@updat\_time & 2024-08e 16:39:14 & \\ @data\_info@facility & SPring-8 & \\ @data\_info@class\_name & BL3&KU & Beamline \\ @data\_info@title & Material analysis in PEFC analysis platform & \\ @data\_info@contact\_name@name & (NEDO project) & \\ @data\_info@contact\_name@affiliation@organization & [PERSON] & Contact name of this dataset \\ @data\_info@data\_depostor@name & [PERSON] & Name of data depositor \\ @data\_info@data\_depostor@affiliation@organization & JASRI & \\ \hline \hline \end{tabular}
\end{table} 
Table A1: Metadata elements for general dataset information (Category: data_info). This table includes dataset-level identifiers, proposal numbers, timestamps, and associated IDs. Such elements establish a clear record of each experiment and ensure seamless traceability and integration within broader data ecosystems. \begin{table}
\begin{tabular}{l l l} \hline \hline
**Key** & **Value** & **Remarks** \\ \hline @measurement@method@category & Spectroscopy \\ @measurement@method@sub\_category & XAFS \\ @measureument@method@detection & Transmission \\ @measurement@method@absorption\_edge & Pt L3 \\ @measurement@measurement@camode & angle axis \\ @measurement@atmosphere@gas & Ar \\ @mesurement@atmosphere@start\_temperature & 25 \\ @measurement@atmosphere@start\_temperature\_unit & deg C \\ @measurement@atmosphere@end\_temperature & 25 \\ @measurement@atmosphere@end\_temperature & deg C \\ @measurement@atmosphere@end\_temperature & deg C \\ @measurement@measurement\_time & 10 \\ @measurement@measurement\_time\_unit & sec \\ @measurement@iteration\_number & 10 \\ @measurement@date@start\_time & 2024-07-15 22:18:00 \\ @measurement@date@end\_time & 2024-07-16 22:20:00 \\ \hline \hline \end{tabular}
\end{table} 
Table 4: Metadata elements detailing instrument configurations (Category: instrument). X-ray beamline frontend setups, monochromator settings, detector specifications, and slit geometries are crucial for understanding data quality and constraints. Recording these parameters ensures that instrument conditions are well documented and can be reproduced or validated in future experiments.