#
thermo
Here are 13 public repositories matching this topic...
Pure-Rust reader for Thermo Fisher .raw mass-spectrometry files, with Python bindings.
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Sep 24, 2026 - Rust
Equations of State and Flash Calculation for multicomponent
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Apr 25, 2023 - Jupyter Notebook
UIElements is a Graphic User Interface (GUI) to select and analyze the species included in NASA's database and the Third Millennium Database.
app gui database chemistry nasa periodic-table thermodynamic-properties thermo burcat third-millenium-database nasa-database chemical-species
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May 13, 2023 - MATLAB
Getting some basic info about Thermo RAW files and MS2 scans
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Nov 12, 2017 - C#
Automated GC-MS data processing pipeline — cross-instrument (Thermo .RAW/.mzML, Shimadzu .qgd), NIST library search, per-sample RI calibration, and MS+RI dual-evidence review triage.
python nist metabolomics mass-spectrometry chromatography gc-ms analytical-chemistry thermo shimadzu retention-index
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Jul 10, 2026 - Python
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