PASTAQ-MS/PASTAQ ? reverse-engineered prompt
Reverse engineered prompt
Build me a Python package for working with LC MS MS data that can read mzXML files and optionally use mzIdentML identification files, then run the kind of quantification workflow described in the PASTAQ project.
I want it to be usable from Python with a simple import, and I’d like a few example scripts plus a notebook that shows the main flow on sample data. Make it possible to install from source as a wheel, and also make it easy to try in Binder. If there are any missing details about the exact processing steps or file handling, look up the current docs online if you need to and match the general behavior of the project as closely as possible.
Keep it practical and ready to run, with clear example input paths, sensible defaults, and enough structure that someone could explore the package and process real mass spec files without having to figure everything out from scratch.
Are you gonna build this?
make sure you review the code using coderabbit