HTW-KI-Werkstatt/RamanSpectraEcoliMetabolitesDig4Bio

Dataset Overview

This dataset contains Raman spectra of mixtures of glucose, sodium acetate, and magnesium sulfate. The spectra were measured with the system that is presended in the paper "A Setup for Automatic Raman Measurements in High-Throughput Experimentation" (https://doi.org/10.1002/bit.70006). The spectra were used for a Kaggle challenge organized for the EU Project Dig4Bio (https://www.kaggle.com/competitions/dig-4-bio-raman-transfer-learning-challenge/overview/). We gratefully acknowledge the financial support of the EU-HORIZON-project Dig4Bio with the grant number 101159993.

Target Parameters and Concentration Ranges

The dataset contains measured Raman spectra of samples with different parameters from the following substances:

• Glucose
• Sodium Acetate
• Magnesium Sulfate

The concentrations were taken according to the volumes that the Tecan Liquid Handling Robot pipetted.

Data Acquisition

Raman spectra were recorded using the follwing settings:

• Instrument: Metrohm i-Raman Plus
• Laser Wavelength: 785 nm
• Exposure Time: 10 s
• Laser Power: 450 mW
• Scans per Sample: 2
• Number of Samples: 192

Citation

Please cite our paper, if you use the dataset: (Lange et. al. https://doi.org/10.1002/bit.70006).

BibTeX:

@article{
  lange2025setup,
  title={A Setup for Automatic Raman Measurements in High-Throughput Experimentation},
  author={Lange, Christoph and Seidel, Simon and Altmann, Madeline and Stors, Daniel and Kemmer, Annina and Cai, Linda and Born, Stefan and Neubauer, Peter and Bournazou, M Nicolas Cruz},
  journal={Biotechnology and Bioengineering},
  volume={122},
  number={10},
  pages={2751--2769},
  year={2025},
  publisher={Wiley Online Library}
}