#27 · Metabolomics

Curating mass spectrometry measurements to govern quantification and interpretability

The dominant thread is that measurement-level curation precedes biological interpretation. In DIA plasma proteomics, removing poorly quantitative precursors from refined quantotypic spectral libraries is reported to improve protein quantification precision and accuracy. In microchip CE-HRMS metabolomics, indexed migration time derived from stable isotope-labeled amino acid standards, processed in Skyline, is paired with single-point external calibration for workflow evaluation. ProteoMeter, a published open-source Python library, maps multi-PTM, LiP-MS and XL-MS data onto a standardized coordinate system at single-residue resolution. The platforms and analytical goals differ, so curation functions as a recurring emphasis rather than a uniform method. What is new across these items is the explicit use of library refinement, retention-time indexing and coordinate standardization to govern interpretability across DIA, CE-HRMS and multi-modal structural data.