Multi-spectrum Analysis Tool for Spectroscopy (MATS)

The purpose of the MATS project is to develop a NIST-based multi-spectrum fitting tool for spectroscopic data that allows the flexibility to test and adapt to experimental/data-driven needs. This software allows for the use of several commonly used spectroscopic line profiles (Voigt, Nelkin-Ghatak, speed-dependent Voigt, speed-dependent Nelkin-Ghatak, and Hartmann-Tran) and allows for pressure, temperature, and composition constraints to be imposed on solutions. In addition to fitting experimental spectra, MATS can generate simulated spectra, which allows for its use as an error analysis tool. The tool uses existing python applications such as the HITRAN Application Programming Interface (HAPI) and LMFit as the engine for spectral fitting.MATS项目旨在开发一款基于美国国家标准与技术研究院（National Institute of Standards and Technology，NIST）的光谱数据多光谱拟合工具，可灵活适配实验需求或数据驱动的应用场景。该软件支持多种常用光谱线型，包括沃伊特（Voigt）、内尔金-加塔克（Nelkin-Ghatak）、速度依赖沃伊特（speed-dependent Voigt）、速度依赖内尔金-加塔克（speed-dependent Nelkin-Ghatak）以及哈特曼-特兰（Hartmann-Tran），并可对拟合结果施加压强、温度与组分约束。除拟合实验光谱外，MATS还可生成模拟光谱，因此可作为误差分析工具使用。该工具依托现有Python应用程序，以HITRAN应用程序编程接口（HAPI）与LMFit作为光谱拟合的核心引擎。

搜集汇总

背景与挑战

背景概述

Multi-spectrum Analysis Tool for Spectroscopy (MATS) 是一个基于NIST的光谱数据分析工具，旨在提供灵活的多光谱拟合功能，支持多种常用光谱线型和物理约束（如压力、温度、成分）。它不仅能够拟合实验光谱，还能生成模拟光谱用于误差分析，并集成HAPI和LMFit等Python应用程序作为核心引擎。