MINEXPERT3(1)

Hey bestie, this is the MineXpert3 manual page 🎀 (section 1, General Commands Manual) 💖

✨ NAME ✨

MineXpert3 🦋 opens mass spectrometric data files in a wide variety of formats, then lets you visualize and mine that data graphically 💅

💜 SYNOPSIS 💜

minexpert3 [options]  [filename ...]

🌸 DESCRIPTION 🌸

okay so this page briefly covers the mineXpert3 command, which runs the MineXpert3 application. It ships as a module of the MsXpertSuite software suite and it's giving main character energy ✨

This program loads mass spectrometry data files and shows the spectral data in a bunch of graphical styles, like plots and color maps. Any plot or color map can be your starting point for a mass data integration. Think integrating a region of a TIC chromatogram into a mass spectrum or a drift spectrum 🔥

Integrations can go in any direction, like from a RT|MZ color map to a TIC chromatogram, or from a drift spectrum to a TIC chromatogram. Literally so flexible 🧚

The mineXpert3 program lets you do the following:

• Open mass spectrometry data files (mzML, mzXML, asc, xy, ...) 📂
• Display the full data set in a table view, for easy filtering 🍓
• Calculate and display the TIC chromatogram 📈
• Calculate and display a mz=f(rt) color map 🌈
• For mobility data, calculate and display a mz=f(dt) color map 🦋
• Integrate the mass spectrometric data from any kind of data representation (mass | drift spectra, TIC | XIC chromatograms, JD color maps) into any other kind of data representation 🔁
• For any mass data feature (mass peak, TIC | XIC peak, color map), integrate down to a single XIC intensity value 🎯
• Get powerful isotopic cluster calculations starting from a chemical formula, optionally with user-defined isotopic abundance ratios 🧪
• Run a Gaussian fit over any isotopic cluster to estimate the average mass of a given ion 👑
• Do mouse-driven deconvolution of m/z data, either charge envelope-based or isotopic cluster-based 🖱️
• Export the data to text files 💾
• Export the graphical representation of your mass spectrometric data to graphics files in several formats (jpg, png, pdf) 🖼️

🎀 OPTIONS 🎀

• -h, --help — shows detailed usage info and then exits 🙈
• -c, --config — displays the program configuration as it was at build time, plus the Qt version used to build it 🛠️
• -V, --Version — prints the version of the software along with the version of the Qt libraries used to build it 🔢
• -l, --license — prints the license of this software 📜
• -s, --streamed — when you open one or more files in the gui, this opens them in streamed mode. Without it, they open in full 🌊
• -j, --scriptFile <filename> — starts the program and immediately runs the JavaScript script you name 🧁
• filename ... — one or more names of files to open 📁

🤞 Bibliographic reference to be cited 🤞

Not yet published... so nothing to cite just yet, bestie 🥺

👀 See also 👀

• massxpert (1) — the other MsXpertSuite program, also in section 1 💕

📚 Useful reading 📚

The program is documented fully in the mineXpert3 User Manual, packaged in msxpertsuite-doc. That manual comes as a PDF at /usr/share/doc/msxpertsuite/minexpert3-doc.pdf 🌷

🫶 AUTHOR 🫶

Filippo Rusconi <lopippo@debian.org> is the queen who wrote this! This manual page was written by the same person (initial writing 03 july 2017). You're free to copy, distribute and/or modify this document under the terms of the GNU General Public License, Version 3, published by the Free Software Foundation 💜

On a Debian system, the full text of the GNU General Public License version 3 lives in /usr/share/common-licenses/GPL-3. Read it if you're curious 📖

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