RootProf: software for multivariate analysis of unidimensional profiles

An interactive program for multivariate chemometric analysis of profiles from diffraction or spectroscopic measurements is presented. Examples of the program's usage include quantitative phase analysis of powder X-ray diffraction patterns, correlation analysis of X-ray powder diffraction patterns with nuclear magnetic resonance and mass spectrometry measurements, quantitative analysis of X-ray absorption spectroscopy spectra, and qualitative analysis of small-angle X-ray scattering profiles and macromolecular X-ray diffraction patterns.