SpectroscopyTools.jl

A general-purpose spectroscopy analysis toolkit for Julia.

SpectroscopyTools provides peak fitting, baseline correction, exponential decay fitting with IRF deconvolution, chirp correction, and unit conversions for spectroscopic data. It is designed to work with any spectroscopy discipline –- ultrafast, FTIR, Raman, UV-vis, fluorescence –- while keeping a minimal dependency footprint.

Installation

using Pkg
Pkg.add("SpectroscopyTools")

Quick Start

using SpectroscopyTools

# Fit peaks in a spectrum
result = fit_peaks(wavenumber, absorbance, (2000, 2100))
report(result)

# Baseline correction
baseline = als_baseline(y; lambda=1e5, p=0.01)
y_corrected = y .- baseline

# Unit conversions
wavelength_to_wavenumber(1500u"nm")  # -> wavenumber in cm^-1

Package Overview

Module	What it does
Peak fitting	Gaussian, Lorentzian, Pseudo-Voigt via CurveFit.jl
Peak detection	Automatic peak finding via Peaks.jl
Baseline correction	ALS, ARPLS, SNIP, polynomial, Whittaker
Exponential decay	Single/multi-exponential with optional IRF convolution
Global fitting	Shared parameters across multiple traces
Chirp correction	GVD detection and correction for broadband TA
Unit conversions	Wavenumber, wavelength, energy, linewidth interconversion
Smoothing	Savitzky-Golay filtering

Tutorials

Chirp Correction for Broadband Transient Absorption

API Reference

See the full API Reference for documentation of all exported functions and types.