Fragment of Gas Chromatography/Mass Spectrometry (GC/MS) Data

A fragment of gas chromatography/mass spectrometry (GC/MS) data containing a group of five closely eluting compounds was converted to STL files optimized for an FDM 3D printer with a standard 0.4mm nozzle. Models are available in two sizes: 106x176x60mm (gcms_106x176x60mm.stl) and 159x345x120mm (gcms_159x345x120mm.stl). To print the large-scale model on a standard 3D-printer the gcms_159x345x120mm_part1.stl and gcms_159x345x120mm_part2.stl files can be used. These models were used as tangible materials in the "Fundamentals of Mass Spectrometry" course at RUDN University and the "Mass Spectrometry" course at Moscow State University.

The provided STL files were generated using an R script and manually rescaled using Microsoft 3DBuilder application.

Details on the conversion process from raw GC/MS data to a 3D-printable surface, including optimization steps (such as selecting optimal profiles for mass spectral peaks and determining the width and height of chromatographic peaks), are discussed in:
Samokhin A.S., Revelsky A.I., Borisov R.S. Visualization of Gas Chromatography – Mass Spectrometry Data Using 3D Printing Technology // Journal of Analytical Chemistry. 2024. Vol. 79, № 14. P. 2031–2035..

Additional links:

• Project webpage on the website of our scientific group
• YouTube video
• R script