shuzhao-li
commented
7 months ago Lightweight reference now at mass2chem.lib.formula_coordinate It's mSelectivity screened but hsa centric.
Open jmmitc06 opened 9 months ago
shuzhao-li
commented
7 months ago Lightweight reference now at mass2chem.lib.formula_coordinate It's mSelectivity screened but hsa centric.
Need support for landmark-guided calibration, per-sample calibration, make calibration optional, potentially harden against isotopologue/monoisotopic peak confusion, custom database for calibration.