Hello and welcome to the forums.
A long time ago - before PC's existed - I had to "roll my own" monitoring and analysis software in grad school before I got my PhD in Analytical Chemistry. (Univ. of New Orleans, 1975). After graduation I built a dozen or so PDP-11/RSX11-M device drivers that we used for monitoring petroleum products flowing through pipelines. We even built our own virtual demand-paging database manager with sharing, usage priority, and least-recently-used cache-block retirement. Worked like a champ for many years until VAX-11 came into existence and changed the virtual memory game from home-grown to "in-the-O/S" for code AND data..
I had some big-beast computers back in the day, but I remember a few years ago, thinking how much easier it all would have been if MS Office had existed in the early 1970s. As it was, I did my dissertation on what was essentially a type-setting program running through an old IBM Selectric typewriter, with proof-reading of everything printed on a dot-matrix printer.
At this stage of the game, I'm a bit rusty on the chemistry. And probably on the programming. But I've still got some advice to give if you need it. Just post in the normal forums if you have questions. You always get the best & quickest advice when asking in the public parts of the forum.