MRMhub 1.0.0

Superseded by v1.0.1: bug fix in the R package. Drift correction and SERRF batch correction no longer require the optional packages mirai and carrier.

First stable release of MRMhub, published with Burla, Teo et al., Nature Metabolism (2026), doi:10.1038/s42255-026-01629-2. The version peer-reviewed for the paper is v0.9.9.

Downloads

INTEGRATOR (MRMhub) and mrmhub-viz are available for macOS (Apple silicon), Windows (x64) and Linux (x64). They are portable programs and need no installation; see the setup guide.

The demo packages (MRMhub-demo-1.0.0-<platform>.zip) contain the executables together with the full demo dataset: 499 mzML files from a targeted lipidomics study, the corresponding INTEGRATOR input files, and a QUANT notebook. Follow the step-by-step instructions in Get started, also included in the package as Get-started.html. The program-only downloads (MRMhub-1.0.0-<platform>.zip) contain just the executables.

To install the R package mrmhub (QUANT), see the README.

Changes since 0.9.9

• set_lipid_class() derives lipid classes from lipid feature names (via rgoslin).
• Calibration curves support 1/sqrt(x) weighting, and external calibration works with one or two calibrator levels.
• QC metrics report the number of replicates per QC type (n_bqc, n_tqc, n_spl).
• Various bug fixes and improvements in robustness, performance and usability; see NEWS.