The four Rs and crystal structure analysis: reliability, reproducibility, replicability and reusability.

Area of Science:

• Crystallography and broader scientific research.

Background:

• Scientific reproducibility and replicability are crucial for trusting research findings.
• The FAIR data accord (findable, accessible, interoperable, reusable) promotes data reuse.
• The FACT principles (fairness, accuracy, confidentiality, transparency) enhance data trustworthiness in social sciences.

Purpose of the Study:

• To discuss the importance of scientific trust and data integrity in crystallography.
• To explore the adoption of data management principles for enhancing crystallographic research.
• To highlight the need for accuracy beyond precision in scientific contexts.

Main Methods:

• Review of reports on scientific reproducibility and data accords.
• Analysis of data management principles (FAIR and FACT).
• Emphasis on the distinction between accuracy and precision in scientific analysis.

Main Results:

• Crystallography, like all sciences, faces challenges in ensuring result trust.
• Data management principles like FAIR and FACT offer frameworks for improving data integrity.
• Establishing accuracy requires methods beyond crystal structure analysis, especially in functional contexts.

Conclusions:

• Crystallographic teaching commissions should consider adopting data management principles.
• Integrating concepts like FAIR and FACT can enhance trust and rigor in crystallography.
• Emphasizing accuracy alongside precision is vital for reliable scientific outcomes.