minexpert2 8.6.1-1 source package in Ubuntu

Changelog

minexpert2 (8.6.1-1) unstable; urgency=low

  * Implemented loading of Bruker timsTOF data files with combination of all
    the mobility scans to a single spectrum for each frame.

 -- Filippo Rusconi <email address hidden>  Tue, 13 Dec 2022 18:42:56 +0100

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Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
misc
Urgency:
Low Urgency

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Series Pocket Published Component Section

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File Size SHA-256 Checksum
minexpert2_8.6.1-1.dsc 2.4 KiB 81db3097e0f3ab37c4a88357baf2623405b99233b43b062debdc763b8d2e2000
minexpert2_8.6.1.orig.tar.gz 55.1 MiB 4f1d946b9fe58cfd8b04a74aec98c06efd67af7300fe7aeee9072382642c6bfe
minexpert2_8.6.1-1.debian.tar.xz 280.5 KiB ce1d07c4601126841eabfc1b7a0c95134257f294141c7d9c7a88c04442b25a06

Available diffs

No changes file available.

Binary packages built by this source

minexpert2: MS^n mass spectrometric data visualization and mining (runtime)

 mineXpert2 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,
    2D 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 in a number of formats (jpg, png, pdf).
 .
 This package ships the mineXpert2 program.

minexpert2-dbgsym: debug symbols for minexpert2
minexpert2-doc: MS^n mass spectrometric data visualization and mining (doc)

 mineXpert2 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,
    2D 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 in a number of formats (jpg, png, pdf).
 .
 This package ships the user manual in both PDF and HTML formats.