Mnova Hub (User Manual)

Importance of the topic

Modern analytical laboratories generate large volumes of spectral and chemical data across disparate storage systems. Efficient access, search and integration of these data streams is essential to accelerate structure elucidation, quality control and research workflows. Mnova Hub streamlines this process by acting as a unified interface to multiple data repositories directly within Mnova.

Objectives and overview

This document describes the design and functionality of Mnova Hub, a Mnova plug-in that enables:

• Centralized browsing of raw and processed spectral files.
• Seamless search, preview, filtering and retrieval of datasets.
• Bi-directional data saving back to host systems.

The guide covers installation, provider configuration, data exploration and saving workflows.

Methodology and instrumentation

Mnova Hub leverages Mnova version 15.0.1 or higher and supports connections to:

• SQL databases (SQLite, MariaDB/MySQL, Oracle, PostgreSQL)
• Local file systems
• Mnova Database (MnDB)
• Bruker TopSpin archives
• ZONTAL datahub

Configuration dialogs allow users to specify connection parameters, query fields or folder paths. Custom SQL queries and advanced ZONTAL filters can be defined to tailor data selection.

Main results and discussion

Key capabilities of Mnova Hub include:

• Dynamic table views with customizable columns and sorting.
• Inline preview of spectral snapshots.
• Multi-spectra loading into new or existing Mnova documents.
• Column-based and advanced filters (simple, dynamic, expert JSON) for rapid data narrowing.
• Save functionality to upload new or updated files back to SQL, file shares, MnDB or ZONTAL.

These features improve data traceability, reduce manual file handling and maintain central archives.

Benefits and practical applications

By consolidating data access, Mnova Hub:

• Accelerates NMR and MS processing by eliminating repository switching.
• Maintains audit trails via database updates.
• Facilitates QA/QC by applying consistent preview and filter criteria.
• Enables collaborative data sharing through ZONTAL integration.

This enhances productivity in academic research, pharmaceutical development and industrial QC labs.

Future trends and opportunities

Upcoming developments may include:

• Support for additional cloud-based repositories and ELNs.
• Machine-learning driven metadata tagging and search suggestions.
• Enhanced provenance tracking across cross-platform workflows.
• Deeper integration with laboratory information management systems (LIMS).

Such extensions will further unify analytical ecosystems and drive data-centric decision making.

Conclusion

Mnova Hub provides a flexible, user-friendly gateway to diverse spectral data sources directly within Mnova. Its configurable connections, powerful filtering and seamless save options simplify data management, support reproducible workflows and boost laboratory efficiency.

Reference

• Mnova Hub User Manual, P/N 489 R1, MestreLab Research S.L., 2024.