lasertram: A Python library for time resolved analysis of laser ablation inductively coupled plasma mass spectrometry data

Abstract

Laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) data has a wide variety of uses in the geosciences for in-situ chemical analysis of complex natural materials. Improvements to instrument capabilities and operating software have drastically reduced the time required to generate large volumes of data relative to previous methodologies. Raw data from LA-ICP-MS, however, is in counts per unit time (typically counts per second), not elemental concentrations and converting these count ratesto concentrations requires additional processing. For complex materials where the ablated volume may contain a range of material compositions, a moderate amount of user input is also required if appropriate concentrations are to be accurately calculated. In geologic materials such as glasses and minerals that potentially have numerous heterogeneities (e.g., microlites or other inclusions) within them, this is typically determiningwhether the total ablation signal should be filtered to remove these heterogeneities. This necessitates that the LA-ICP-MS data processing pipeline is one that is not automated, but is also designed to enable rapid and efficient processing of large volumes of data.

Here we introduce

, a Python library for the time resolved analysis of LA-ICP-MS data. We outline its mathematical theory, code structure, and provide an example of how it can be used to provide the time resolved analysis necessitated by LA-ICP-MS data of complex geologic materials. Throughout the

pipeline we show how metadata and data are incrementally added to the objects created such that virtually any aspect of an experiment may be interrogated and its quality assessed. We also show, that when combined with other Python libraries for building graphical user interfaces, it can be utilized outside of a pure scripting environment.

can be found at https://doi.org/10.5066/P1DZUR3Z.