NAME

       mineXpert2           —             Open mass spectrometric data files of a wide variety of
       formats, visualize and mine data graphically

SYNOPSIS

       minexpert2 [options]  [filename ...]

DESCRIPTION

       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).

OPTIONS

       -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.

Bibliographic reference to be cited

       Not yet published...

See also

       massxpert (1)

Useful reading

       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).

AUTHOR

       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.

                                                                          mineXpert2          (1)