u/Afraid_Review_8466

How are people automating reaction series data processing from chromatograms/spectra into presentation-ready materials?

Hi all,

In organic synthesis (metal complex catalysis, to be more precise) I've often ended up running large series of similar reactions (optimization screens, substrate scope studies, catalyst/load variations, etc.).

A lot of the post-lab work becomes damn repetitive and annoying: extracting information from chromatograms/spectra, collecting yields, organizing conditions and results, comparing trends, and preparing publication-ready tables, plots or figures.

I’m curious do people actually automate this workflow, especially starting from raw analytical data. Maybe some Python pipelines, Excel automation, ELNs/LIMS, AI tools, or custom scripts?

Would be interested to hear what actually works in practice.

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u/Afraid_Review_8466 — 3 days ago

Any tips on automating data processing and organization for wet lab results?

Hi everyone,

In wet-lab research I often end up with dozens of similar experimental results that need to be processed, interpreted, and organized into tables or plots for reports or publications.

Since the data is often repetitive, the process feels incredibly mundane and time-consuming - especially at the end of a long day, when you had to go home a half an hour ago.

Has anyone found (or built) ways to automate this workflow, even partially? Maybe with Python, Excel macros, LIMS tools, scripts or AI-based tools.

reddit.com
u/Afraid_Review_8466 — 3 days ago