Convert many binary format OPUS files to .dpt (Data Point Table) file format
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Updated
Feb 2, 2021 - Python
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
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%.
Helper scripts for crosslink analysis.
Calculates Intensities of Cross-linked Peptides from MS Annika CSMs.
Extensions for better usability of the cross-linking tool MaXLinker.
Python package for reading Bruker OPUS files.
Extensions to use the cross-linking tool Scout with other software.
A script to merge and optionally validate several MS Annika search results.
Clean mass spectrometry imaging dataset and extract geologically meaningful features
Python control of an electrothermal atomizer system - programming fragments and studies
A Windows application for OceanInsight USB2000 and SR2 spectrometers
A script and functions to group and validate MS Annika results.
A simple python script to fix scan numbers in result files generated by Proteome Discoverer.
Export MS Annika crosslink results to different formats.
Analysis of the behavior of USpekPy with the number of iterations
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.
Pyra: Automated EM27/SUN Greenhouse Gas Measurement Software
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