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CrimsonCalc: a software tool for pressure determination based on ruby fluorescence spectra
1Extreme Conditions Chemistry Laboratory (ECCL K2), Jožef Stefan Institute Jamova cesta 39 1000Ljubljana Slovenia.
Journal of Applied Crystallography
|October 9, 2025
Summary
CrimsonCalc is new open-source software that simplifies ruby fluorescence spectra processing for accurate pressure calculations in high-pressure research. It automates data analysis and reporting, enhancing laboratory efficiency.
Area of Science:
- Geophysics and Earth Sciences
- Materials Science
- Spectroscopy
Background:
- High-pressure research relies on accurate pressure determination.
- Ruby fluorescence spectroscopy is a standard method for pressure measurement.
- Existing software may lack comprehensive features or user-friendliness.
Purpose of the Study:
- To introduce CrimsonCalc, an open-source software for ruby fluorescence spectra processing.
- To provide a user-friendly tool for calculating pressure from the R1 peak shift.
- To offer additional tools for high-pressure research.
Main Methods:
- Ruby fluorescence spectra processing.
- Baseline correction and pseudo-Voigt peak fitting.
- Automated detection of detector saturation.
- Pressure calculation using reference spectra.
- Batch processing of spectra from text or Bruker OPUS binary format.
Main Results:
- CrimsonCalc enables processing of individual and batch spectra.
- It provides automated data analysis, including peak fitting and pressure calculation.
- The software includes tools for diamond Raman edge pressure calculation, gasket thickness, and pressure limit estimation.
- Batch output is available in human-readable and machine-readable formats.
Conclusions:
- CrimsonCalc is a valuable, open-source aid for high-pressure research laboratories.
- It facilitates direct pressure readings and simplifies report generation.
- The software enhances efficiency and accuracy in pressure determination.
