CUSTOM FIELDS FOR ASSAY CALCULATIONS IN FOOD

Significance of Custom Calculations in Food Analysis

Empower 3 Software integrates bespoke mathematical assessments directly into chromatography data processing for food testing. By embedding calculations such as percent difference and pass/fail logic within the analysis workflow, laboratories reduce reliance on external spreadsheets, minimize transcription errors, and accelerate decision making for product release.

Aims and Article Overview

This technical note demonstrates how to configure custom fields in Empower 3 using the Custom Field Wizard. The focus is on automating percent difference calculations between measured and target analyte levels, and implementing Boolean criteria to flag results against predefined thresholds.

Methodology and Instrumentation

Empower 3’s Custom Field Wizard guides users through:

• Selection of field scope (Component, Peak, Sample, etc.)
• Data type definition (Real, Integer, Boolean, Enum, Date)
• Source choice (Keyboard entry or Calculated)
• Precision and formatting settings
• Formula entry using built-in operations and existing field names

All steps occur within the Empower 3 Configuration Manager, avoiding external tools.

Main Results and Discussion

Three custom fields were built as an illustrative workflow for Aspartame analysis:

• Target_Amount (Component, Real): user-entered expected analyte concentration
• Pct_Difference (Peak, Real): formula ABS(Target_Amount‒Amount)/Target_Amount×100
• Pct_Difference_Decision_Asp (Peak, Boolean): LT(Pct_Difference,15) returns Pass/Fail

The software automatically computes these fields during data processing and presents tailored review windows and reports. Example tables show Soft Drink Sample B passing the Aspartame threshold and batch-release logic that requires multiple analytes (e.g., Acesulfame K and Aspartame) to meet criteria before release.

Benefits and Practical Applications

• Elimination of manual transcription and spreadsheet errors
• Centralized, repeatable calculations embedded in chromatographic processing
• Rapid identification of out-of-specification results via Boolean logic
• Streamlined batch-release decisions for multi-analyte assays
• Customizable templates support diverse food matrix analyses

Future Trends and Opportunities

Advancements may include broader use of generic peak naming and constants to scale calculations across multiple assays, dynamic threshold adjustments via LIMS integration, and AI-driven data validation rules. Such developments will further reduce manual oversight and enhance data reliability in food quality control.

Conclusion

Empower 3’s custom field functionality delivers flexible and automated calculation tools for food assay workflows. By embedding mathematical and logical operations directly into the processing engine, laboratories achieve faster results, lower error rates, and effective batch-release management without external software.

References

Waters Corporation. Custom Fields for Assay Calculations in Food. Empower 3 Technical Note, August 2020.