BioSpectra Analyzer

BioSpectra Analyzer is a WPF desktop application for visualizing and performing basic analysis of spectral data for bioorganic compounds.

The application loads spectral data from .txt or .csv files, draws an interactive plot with OxyPlot, detects local intensity peaks and compares them with predefined functional group templates.

Features

• Load spectral data from TXT or CSV files
• Parse two-column wavelength/intensity data
• Visualize spectra in a dark WPF interface
• Detect local maxima in spectral data
• Highlight detected peaks on the plot
• Compare detected peaks with simple templates for common functional groups
• Show the best matching compound class

Supported input format

The input file should contain at least two numeric columns:

wavelength;intensity
3200;0.86
1715;0.92
1040;0.73

Supported separators:

semicolon ;
comma ,
tab

Numbers are parsed using invariant culture, so decimal points should use ..

Built-in templates

The current prototype contains simple peak templates for:

• Alcohol
• Ketone
• Amine
• Carboxylic Acid
• Ester
• Alkene

Technologies

• C#
• WPF / XAML
• .NET Framework 4.8.1
• OxyPlot
• NuGet packages through packages.config

Project structure

BioSpectra_Analyzer.sln                 Visual Studio solution
BioSpectra_Analyzer/App.xaml            WPF app definition
BioSpectra_Analyzer/MainWindow.xaml     Main UI layout
BioSpectra_Analyzer/MainWindow.xaml.cs  Loading, plotting and analysis logic
BioSpectra_Analyzer/packages.config     NuGet package list

How to run

Requirements:

• Windows
• Visual Studio 2022
• .NET Framework 4.8.1 Developer Pack

Steps:

1. Clone the repository.
2. Open BioSpectra_Analyzer.sln in Visual Studio.
3. Restore NuGet packages.
4. Build and run the project.
5. Load a .txt or .csv spectrum file.

Status

Prototype / work in progress.

The project is suitable as a portfolio example of WPF data visualization and basic scientific data processing. Future improvements may include a cleaner MVVM architecture, configurable peak detection, export to reports, real reference spectra and more advanced matching algorithms.

Author

Created by HardesFaktorProg.