Mnova ElViS (User Manual)

Importance of the Topic

A unified software environment for processing optical spectroscopy data addresses critical needs in modern research and industrial quality control. Covering UV/Vis, NIR, MIR, Raman, fluorescence and other techniques, an integrated tool streamlines data handling, baseline correction, multivariate preprocessing, and reporting across a broad spectral range (100 nm–100 µm). This capability accelerates decision-making, improves reproducibility, and facilitates high-throughput analysis in laboratories and process environments.

Objectives and Overview of the Application Note

This note introduces the ElViS plugin for Mnova 14, designed to support electronic and vibrational spectroscopic workflows. Key goals include: creating a flexible framework for loading diverse file formats, providing intuitive visual guides for routine processing, implementing advanced baseline and scatter corrections, and enabling automated peak picking, integration, and batch processing via templates.

Used Instrumentation

The software supports direct import and export of:

• ASCII (.txt, .csv)
• JCAMP-DX (.jdx, .dx, .jcm)
• Bruker OPUS (.0, .1…)
• Thermo Nicolet Omnic (.spa)
• Thermo Galactic GRAMS (.spc)
• Native Mnova formats

Users can convert between intensity and wavelength/wavenumber units, generate stacked plots, and build spectral libraries for HPLC-DAD/IR, TGA-IR and other hyphenated methods.

Methodology and Data Processing Workflow

A typical spectrum is processed by:

• Loading data via drag-and-drop or File/Open
• Unit conversion for X and Y scales
• Interactive zoom and expansion
• Automatic or manual baseline correction (Asymmetric Least Squares, Multipoint)
• Normalization (SNV, total integral, vector length, PQN for Raman)
• Multiplicative Scatter Correction
• Smoothing algorithms (Savitzky-Golay, Nonlocal Means, Wiener, Exponential)
• Derivative calculation (Savitzky-Golay, Robust Noise, Centered Differences)
• Peak picking (automatic, manual threshold, peak-by-peak) with customizable labeling
• Manual integration with adjustable regions, normalization, and a dedicated integrals table
• Batch processing via saved Processing Templates (*.mnp)
• Arithmetic operations (spectrum subtraction/addition with scaling)

Main Results and Discussion

The ElViS plugin delivers a comprehensive toolbox that simplifies complex preprocessing and analysis routines. Automated baseline and scatter corrections minimize operator bias, while dynamic templates and batch processing ensure consistent treatment of large datasets. Multispectral and hyphenated workflows are supported, enabling direct analysis of HPLC-IR, TGA-IR, and similar coupled techniques. Customizable reporting and export options facilitate seamless integration into QA/QC and research reporting pipelines.

Benefits and Practical Applications

Key advantages include:

• Unified handling of diverse spectroscopic formats
• High-quality baseline and noise corrections for reliable quantitation
• Flexible smoothing and derivative tools to reveal hidden features
• Automated peak picking and integration with manual fine-tuning
• Batch processing for consistent large-scale analyses
• Support for hyphenated data and spectral libraries
• Professional reporting with export to CSV, JCAMP-DX, PDF and image formats

Future Trends and Applications

With increasing data volumes and a trend toward on-line and in-line process monitoring, future developments will focus on enhanced multivariate algorithms, real-time decision support, and AI-driven spectral interpretation. Expansion into hyperspectral imaging and cloud-based collaborative platforms will further extend the reach of optical spectroscopy software.

Conclusion

Mnova 14’s ElViS plugin provides a versatile and user-friendly environment for comprehensive optical spectroscopy analysis. Its broad format support, advanced preprocessing, automation capabilities, and reporting tools make it an essential resource for academic, industrial, and regulatory laboratories.

References

• P.H. Eilers, H.F. Boelens, Leiden University Medical Centre Report 1, 5, 2005.
• Journal of The Institute of Electronics and Information Engineers, Vol. 53, No. 3, 2016.
• D.A. Jolliffe, Anal. Chem. 2006, 78, 4281–4290.