spectrometry

Python package for reading Bruker OPUS files.

The Mass Spec Query Language (MassQL) is a domain specific language meant to be a succinct way to express a query in a mass spectrometry centric fashion.

A python package for spectral deconvolution of UV-Vis waveforms

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.

A python package to process protein cross-linking data.

Export MS Annika crosslink results to different formats.

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

This repository contains a collection of Python scripts for acquiring and visualising spectra with Ocean Optics USB2000/USB4000 series spectrometers. All programs rely on the seabreeze package together with standard scientific Python libraries.

Reconstructing low-resolution spectra from Osram sensors

Clean mass spectrometry imaging dataset and extract geologically meaningful features

Extensions for better usability of the cross-linking tool MaXLinker.

Calculates Intensities of Cross-linked Peptides from MS Annika CSMs.

Real-time 16-bit viewer and spectrum geometry calibration for a ZWO ASI mono cameras

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

A Python project to combine tabular outputs from GNPS, Sirius and ISDB

Python library for AS7341 spectral sensor

A Windows application for OceanInsight USB2000 and SR2 spectrometers

A simple python script to fix scan numbers in result files generated by Proteome Discoverer.

Analysis of the behavior of USpekPy with the number of iterations

A template repository for python scripts and projects using pyXLMS.