Mnova Scripting with Python: The Holy Grail of Automation?

From simple automation to advanced scripting, the integrated Python interpreter gives you the freedom to shape Mnova around your workflows. To help you get started, follow our video series Mnova Scripting with Python: The Holy Grail of Automation? and discover how tailored tools can streamline your analytical work with just a few lines of code. Throughout the series, you will learn how to run Python scripts in Mnova, explore the documentation, install additional Python packages, work with Mnova objects, process and analyze NMR spectra, debug your scripts, and much more. The series concludes with an AI tool designed to classify spectra based on aromatic substitution type.

SciY: Mnova Scripting with Python - The Holy Grail of Automation?

Download the scripts from the videos and try it yourself.

Ep. 1: Introduction

• Discover the Mnova Python Engine! Learn what it is, where to find it, and how it helps you automate NMR data analysis and streamline workflows with Python scripting.

Ep. 2: Why Python?  

• Explore why this language is ideal for scientific automation, data processing, and workflow customization inside Mnova.

Ep. 3: Hello, Pulpo!

• Run your first Mnova Python script: Hello, Pulpo! Get started with scripting in Mnova and see how simple automation can be. 

Ep. 4: Using The Python Standard Library

• See how to use Python’s built-in Standard Library to interact with your file system directly from Mnova.

Ep. 5: PyPI - Install & Use Python Packages

• Discover third-party packages from PyPI. Learn how to install and use NumPy to extend your scripting power.

Ep. 6: Mnova Extensions to Python  

• Install Mnova’s Python extensions! Import .mnova files, access documentation, and expand your scripting capabilities.

Ep. 7: Documents, Pages, and Items

• Learn to interact with documents, pages, and items to automate analysis, extract data, or create custom workflows.

Ep. 8: NMR Items

• Work with complex NMR spectra using the NMR module. Access and display detailed spectrum information via scripting.

Ep. 9: Applying Processing Templates to NMR Spectra

• Automate your NMR workflows by applying processing templates to spectra directly through Python scripts. 

Ep. 10: NMR Peaks & Multiplets

• Extract NMR peaks and multiplets from processed spectra to gain detailed analytical insights with ease.

Ep. 11: Mnova’s User Interface

• Make scripts interactive! Use Mnova widgets to create dialogs and user-friendly Python interfaces.

Ep. 12: Debugging Your Scripts

• Debug smarter with Visual Studio Code. Learn to identify and fix issues quickly for a smoother development process. 

Ep. 13: Building an AI Classifier to Detect Aromatic Substitution

• This final episode showcases how seamlessly Mnova integrates with Python to power advanced data analysis and machine learning, bridging the gap between NMR spectroscopy and actionable AI.