Mass isotopolome analyzer - GUI-based non-targeted analysis of stable isotope labeling mass spectrometry data

Open source spectral database with citizen scientist in mind from all over the world :)

A collection of tools, techniques, and data sets pertaining to light and its effects on life

Downgrade the complexity for the local server implementation of Spectral Workbench, using this Vagrant Box.

FPGA Messbauer hardware (generator, emulation of signal from gamma-source registered and amplified

Command line tools for unfolding and plotting neutron fluence spectra

Convert many binary format OPUS files to .dpt (Data Point Table) file format

Script to predict molecular ion peaks formulas in mass spectrometry by systematically sampling an heuristically defined chemical space. Interfaced with NIST mass spectral library to confront calulated results with empirical spectras. Possible to calculate molecular ion isotopic patterns from chemical formulas.

SpectraReader is a repository designed for handling the data measured by an spectroradiometer into pandas dataframes fashion.

A python package for spectral deconvolution of UV-Vis waveforms

Java imzML (mass spectrometry imaging) and mzML (mass spectrometry) parser

The determination of the Rydberg Constant using a spectrometer. The final result was found to be accurate to within 0.64% of the established value, with a precision of 0.44%.

CoSIMS, a Collision Simulator for Ion Mobility Spectrometry (Journal Article: https://doi.org/10.1021/acs.jpcb.9b01018)

A mass spectrometry package for Julia

Short Talk Presentation for APMRS 2022

Software to view and interpret isotopically resolved ESI mass spectra by only viewing decharged spectra

The JavaScript heart of Spectral Workbench; a Public Lab project to record, manipulate, and analyze spectrometric data.

xls-remaker is a command-line tool that simplifies the process of cleaning up and reformatting large sets of Excel data, particularly data generated by complex laboratory machines like X-ray fluorescence spectrometers or chromatographs. This powerful tool is user-friendly and saves time and resources for data analysts, researchers, and developers.

Scripts and notes used in the iSLS11 workshop on data analysis

Helper scripts for crosslink analysis.