Using the example of a real fire that occurred as a result of violations of fire safety requirements during gas welding operations, it is demonstrated how the combined use of instrumental and computational methods makes it possible to determine the cause of the fire. The nature of combustible substances has been determined by fluorescence spectroscopy, gas-liquid chromatography and infrared spectroscopy. Using mathematical calculations, the amount of combustible substances necessary for the formation of an explosive mixture was determined. It is demonstrated how a combination of physical-chemical research methods and computational methods, allows for the determining the causal relationship between gas welding operations and the aforementioned explosion.