Detection of minor compounds in complex mineral samples from millions of spectra: A new data analysis strategy in...

Today, Laser-Induced Breakdown Spectroscopy (LIBS) imaging is in full change. Indeed, always more stable instrumentations are developed, which significantly increases the signal quality and naturally the analytical potential of the technique for the characterization of complex and heterogeneous samples at the micro-scale level. Obviously, other intrinsic features such as a limit of detection in the order of ppm, a high field of view and high acquisition rate make it one of the most complete chemical imaging techniques to date. It is thus possible in these conditions to acquire several million spectra from one single sample in just hours. Managing big data in LIBS imaging is the challenge ahead. In this paper, we put forward a new spectral analysis strategy, called embedded k-means clustering, for simultaneous detection of major and minor compounds and the generation of associated localization maps. A complex rock section with different phases and traces will be explored to demonstrate the value of this approach.