Vespucci is a software package for the analysis of spectroscopic data, including Raman, infrared, and UV-Vis spectroscopies. Vespucci provides an intuitive graphical user interface for the performance of common spectroscopic data analysis methods with no coding required.
Unlike most software for this purpose, Vespucci is free, open-source (GPL v3) and regularly tested on Windows, Mac OS X and Linux operating systems.
A manuscript detailing Vespucci has been published in the Journal of Open Research Software.
Vespucci has an intuitive graphical user interface to make performing spectroscopic data analysis easy. Vespucci is designed to abstract away the dependence of chemometric analysis on writing code.
Vespucci supports several commonly-used (pre)processing methods for spectroscopic data, including smoothing (median, moving average, Savitzky-Golay), normalization, rank-reduction of the spectra matrix through singular value decomposition, and baseline correction.
Vespucci supports analysis by peak area, intensity and width, both with and without local baseline adjustment, and allows for the determination of ratios between regions.
Vespucci supports principal component analysis, vertex components analysis, k-means clustering and partial least squares for classification, calibration and discrimination. Multivariate methods can be performed on entire spectra or on data derived from other analyses (k-Means on PCA, PCA on univariate, etc.)
Vespucci provides a simple-to-use macro system to automate pre-processing and analysis techniques allowing you to perform the same operations on every dataset reproducibly.
Vespucci saves datasets in the industry-standard HDF5 file format, allowing the output of Vespucci methods to be easily readible in software such as MATLAB
Vespucci binary packages can be found on the GitHub Releases page
Vespucci is distributed as a portable package. There is nothing to "install". On Windows, run vespucci.exe. On Mac, right-click the .app file and select open. On Linux Vespucci is distributed as an AppImage. Make the file executable then run it.
On Windows, the Microsoft Visual C++ 2015 runtime is required. To install it, run vcredist_x64.exe. It is quite possible that you already have this installed.
We can not guarantee that the Linux package will work on every distribution. You may wish to compile Vespucci yourself. Look at the .travis.yml file to see how we do this on Travis CI
Nightly builds for Windows can be downloaded from AppVeyor here.
To receive updates about new releases and ask questions about Vespucci, please join the mailing list
To report bugs, please use the GitHub Issues Page or contact via the mailing list.
If you would like to contribute to Vespucci, please puruse CONTRIBUTING.md or contact us via GitHub or email.