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)