RamanCrystalHunter: A new program and database for processing, analysis, and identification of Raman spectra

Abstract

RamanCrystalHunter (RCH) is a new software program designed to pre-process, analyze, and identify Raman spectra by comparison with spectra in the RamanCrystalHunter Database (RCHDB). The software is free and can be downloaded from the website https://www.fabrizionestola.com/rch. RCH is characterized by a simple graphical user interface, making it suitable for both specialist and non-specialist users, and it has been developed mainly for applications in Earth Sciences (processing the spectra of minerals) but can be used to process the Raman spectra of any synthetic or natural inorganic or organic material. RCH allows users to visualize, pre-process (e.g., using smoothing, noise reduction, and baseline correction operations), and analyze (e.g., using fitting or various calculation tools) Raman spectra. Moreover, it is equipped with the RCHDB, a new database of high-quality mineral spectra that can be downloaded for free, along with the RCH program. The RCHDB contains the Raman spectra of minerals (including single-and multi-phase inclusions within mineral hosts, for example, diamonds) and related synthetic compounds, allowing for rapid and accurate identification of unknown spectra. The RCH software includes highly customizable yet efficient and user-friendly methods for processing and analysis of Raman spectra and represents a valuable contribution to the field of Raman spectroscopy, whose applications have expanded greatly in recent years, especially in Earth Sciences. Two practical examples of novel ways in which this software can be used for geoscience applications are presented.