R²N Software releases PeakLab v2 with new mass spectrometry features

R²N Software has released the major new features of PeakLab v2. PeakLab is the company's software for peak fitting, baseline correction, mass spectrometry analysis and automated peak model discovery in spectroscopy and chromatography data. A PeakLab v2 brochure is available to download from the company's website.

PeakLab v2 can fit up to 1,000 peaks at the same time. It adds mass spectrometry data analysis with mzML and TIC/XIC workflows, and native support for Agilent, OpenLab and AIA/netCDF file formats. Other additions include 3D spectrum work and MCR-ALS, which applies multivariate curve resolution and alternating least squares decomposition, and parallelized optimization for large datasets. The software also covers automatic peak detection, peak fitting and deconvolution, high-precision nonlinear fitting, and baseline correction methods including Bohlmann-Whittaker, BEADS, Shirley and Tougaard. Modeling covers NMR, IR, Raman, microwave and XPS data. Results can be exported to CSV and text, Apache Parquet, DuckDB, Zarr and TileDB, and SQL via Arrow or ODBC.

PeakLab is used for mass spectrometry including MS and LC-MS, chromatography including HPLC, GC, SFC, IC, SEC, and spectroscopy including UV-Vis, IR, XPS, Raman, NMR, microwave and Auger. The software generates a statistical analysis report of the fitted model. R²N Software was founded to provide scientific analysis software to researchers, engineers and analytical laboratories. Its products build on more than 30 years of work by Ronald E. Brown, a chemical engineer from Purdue University, who is the company's scientific founder and chief architect and works with the development team. Software created by Brown has been used by pharmaceutical and biotechnology companies, Fortune 500 manufacturers, government laboratories, universities and research institutions, environmental and forensic laboratories, and aerospace organizations including NASA. R²N Software also lists TableCurve Studio, a platform for automated 2D and 3D curve fitting and surface modeling, as coming soon.

The PeakLab v2 brochure and a trial download are available at r2nsoftware.com, where the site also lists a shop and a contact page.