Experimental data workflow optimisation in the UrFU Research Laboratory for Astrochemistry
R. S. Nakibov, G. Fedoseev, V. M. Karteeva, M. G. Medvedev, M. E. Ozhiganov, Uliana Sapunova, Eduard D. Kuznetsov, Anton I. Vasyunin · 2024
Day-to-day laboratory work, in particular, usage of the FT-IR spectrometer, generates vast amounts of raw experimental data. Processing and analysis of such data, its transformation into a format suited for interpretation and collective discussion is a tedious, multistage, yet necessary task. This report describes the work done to optimize and automate common data processing scenarios present in the work of Research Laboratory for Astrochemistry using the Python programming language. We provide a workflow chart for processing FT-IR spectrometer data and provide a list of developed apps. A set of applications was developed through the usage of which we achieved an increase of the speed of data processing and implemented a data cataloging standard on a software level. This experience can be used to improve the workflow of other laboratories.