LC/MS support in ChemSpectra#264

Draft

Nicolass67 wants to merge 33 commits into

211-process-lcms-data

Commits on Feb 4, 2026

upd: update label in image for multiple nmr (#209)

baolanlequang
authored and
Nicolass67
committed
feat WIP: handle zip lcms

Lan Le
authored and
Nicolass67
committed
feat WIP: process tic positive and negative

Lan Le
authored and
Nicolass67
committed
feat WIP: read lcms and transform to jcamp

Lan Le
authored and
Nicolass67
committed
feat WIP: process hplc ms

Lan Le
authored and
Nicolass67
committed
chore: refactor

Lan Le
authored and
Nicolass67
committed
Feat:
Nicolass67
committed
WIP save integrals
Nicolass67
committed
Update file_container.py
Nicolass67
committed
Add BinaryParser
Nicolass67
committed
Revert "WIP save integrals"
Nicolass67
committed
Integrate chemotion-converter-app for OpenLab LCMS ZIPs
Nicolass67
committed
Add support for tarball archives in TransformerModel
Nicolass67
committed
Refactor LCMS handling: replace LCMSComposer with LCMSConverterAppComposer, update dependencies to Flask 2.x and Gunicorn 22.x, and remove obsolete LCMS files. Introduce new chemotion converter pro…
Nicolass67
committed
Add UVVIS symbol header for LCMS profiles

Nicolass67
and
cursoragent
committed

Commits on Feb 9, 2026

Commits on Feb 16, 2026

Commits on Feb 23, 2026

Commits on Mar 6, 2026

Commits on Mar 16, 2026

Remove the unused lcms_uvvis_image_from_peak_jdx function
Nicolass67
committed

Commits on Mar 23, 2026

feat(converter): remote Chemotion jcampzip conversion for LCMS raw archives
Nicolass67
committed

Commits on Apr 1, 2026

Update converter configuration in chem_spectra
Nicolass67
committed

Commits on Apr 15, 2026

Commits on Apr 20, 2026