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SpecXY

SpecXY is a user-friendly software solution for preparing editing extracting and comparing (spatially resolved) spectral datasets. SpecXY consists of three main modules for processing spectroscopic data.

  1. The first module SpecMaps is designed for the investigation of spatially resolved spectroscopic data and allows various maps to be generated. This module provides a quick and efficient way to compare signals between different areas and extract average spectra for further calculations. It can be used to visualise and classify spectra perform peak deconvolution from pixel spectra and to correlate spectral data with chemical data (e.g. from EMPA LA-ICP-MS) or other numerical data of the same area. SpecMaps can handle any data type containing a map of wavenumber energy frequency wavelength and intensity.

  2. The second module SpecDB is designed as a spectra database with the ability to perform manipulations, advanced peak deconvolution, calculations (e.g.H2O quantification), match unknown spectra or visualise and compare important features in selected spectra.

  3. GeoCPlot allows to classify data and helps to visualise data in scatterplot matrices.

This repository contains the source code of the latest stable version of SpecXY, binaries for MacOS and Windows, example data. Furthermore, the preliminary documentation & user guide, which is still a work in progress and will be updated in the future, gives an introduction to the software, common workflows and the API.

We recommend that you use the following citations in your publications or presentations when referring to data processed with SpecXY, e.g., Spectroscopic data were processed with SpecXY (Gies et al. 2024).

Nils B. Gies, Pierre Lanari, Jörg Hermann, A workflow and software solution for spatially resolved spec- troscopic and numerical data (SpecXY), Computers & Geosciences, Volume 189, 2024, 105626, ISSN 0098-3004, https://doi.org/10.1016/j.cageo.2024.105626

It is not recommended to cite SpecXY only in the supplementary material, as these citations are not taken into account by citation statistics platforms.

We ask you to use the official SpecXY logo in your talk/poster together with the references if the images have been generated with SpecXY.

Copyright © 2024 University of Bern, Institute of Geological Sciences, Nils B. Gies

SpecXY is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or any later version.

SpecXY is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with SpecXY. If not, see https://www.gnu.org/licenses.

Nils B. Gies