mineXpert2 — Open mass spectrometric data
files of a wide variety of formats, visualize and mine data graphically
minexpert2 [options]
[filename ...]
This manual page documents briefly the
mineXpert2 software.
This program can be used to load mass spectrometry data files and
show the spectral data in a variety of graphical representations like plots,
color maps. Any plot or color map can serve as a starting point for a mass
data integration, like integrating a region of a TIC chromatogram to a mass
spectrum or to a drift spectrum.
Integrations can be performed in any direction, like from a RT|MZ
color map to a TIC chromatogram, for example, or from a drift spectrum to a
TIC chromatogram.
The mineXpert2 program allows the user to perform the
following tasks:
- •
- Open mass spectrometry data files (mzML, mzXML, asc, xy, ...);
- •
- Display in a table view the full data set, 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 chromatogram, JD color maps) to any other
kind of data representation;
- •
- For any mass data feature (mass peak, TIC | XIC peak, color map) integrate
to a XIC single intensity value);
- •
- Powerful isotopic cluster calculation starting from a chemical formula,
optionally with user-defined isotopic abundance ratios;
- •
- Gaussian fit over any isotopic cluster to estimate the average mass of a
given ion;
- •
- Mouse-driven deconvolution of m/z data (charge envelope-based or isotopic
cluster-based);
- •
- Export the data to text files;
- •
- Export the graphical representation of mass spectrometric data to graphics
files of a number of formats (jpg, png, pdf).
- -h | --help
- Displays detailed usage information and exits.
- -c | --config
- Display program configuration at build time and the Qt version used to
build it.
- -V | --Version
- Print the version of the software program along the with version of the Qt
libraries used to build it.
- -l | --license
- Print the license of this software.
- -s | --streamed
- When opening one or more files in the gui, do that in streamed mode,
otherwise in full.
- -j | --scriptFile
<filename>
- Start the program and immediately run the JavaScript script.
- filename ...
- One or more names of files to be opened.
The program is documented fully in the mineXpert2 User
Manual, that is packaged in msxpertsuite-doc. That manual is
available in the form of a PDF-formatted file
(/usr/share/doc/msxpertsuite/minexpert2-doc.pdf).
Filippo Rusconi <lopippo@debian.org>
This manual page was written by Filippo Rusconi
<lopippo@debian.org> (initial writing 03 july 2017). Permission is
granted 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 complete text of the GNU General Public
License version 3 can be found in the file
/usr/share/common-licenses/GPL-3.