ICPMSDataCal-Py：A Comprehensive Solution for Rapid and Accurate LA-(MC)-ICP-MS Data Reduction

Abstract

The strength of LA-ICP-MS data reduction software lies in the convenience and improved quality of results provided by excellent data reduction schemes. While numerous specialized software solutions are currently available, the field still lacks a comprehensive, freely accessible tool. In this paper, we introduce ICPMSDataCal-Py – a versatile, multi-functional analytical software. This stand-alone package represents a complete re-engineering of the original ICPMSDataCal platform, optimized through matrix-based computational algorithms that enable real-time processing of datasets containing hundreds of sample points. The software establishes a standardized and flexible data reduction flow that takes into account specific requirements in the workflow of different ablation methods. An ablation starting point calibration was introduced to minimize down-hole fractionation. Variable peak filtering strategy is used to effectively improve result quality. A customizable calibration editor supporting user-defined analytical protocols. It supports figure style modification and can export publishable quality figures such as U-Pb concordia age, isochron age, weight mean age and so on. To demonstrate the accuracy and versatility of the software, we use several examples to illustrate the data reduction and plotting advantages of the software for elemental mapping quantification, stable isotope interference deduction and calcite isochron dating.